CID2741
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 14 15 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.8971 -4.5 0.0 0
M  V30 2 C 3.8971 -3.0 0.0 0
M  V30 3 C 5.1961 -2.25 0.0 0
M  V30 4 C 2.598 -2.25 0.0 0
M  V30 5 C 5.1961 -0.75 0.0 0
M  V30 6 C 6.4951 -3.0 0.0 0
M  V30 7 C 2.598 -0.75 0.0 0
M  V30 8 O 3.8971 0.0 0.0 0
M  V30 9 C 6.4951 0.0 0.0 0
M  V30 10 C 7.7942 -2.25 0.0 0
M  V30 11 C 1.299 0.0 0.0 0
M  V30 12 C 7.7942 -0.75 0.0 0
M  V30 13 O 1.299 1.5 0.0 0
M  V30 14 O 0.0 -0.75 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 2 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 2 6 10
M  V30 10 1 7 11
M  V30 11 2 9 12
M  V30 12 2 11 13
M  V30 13 1 11 14
M  V30 14 1 7 8
M  V30 15 1 10 12
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
CID2741

>  <name>
chromocarb

>  <smiles>
c1ccc2c(c1)c(=O)cc(o2)C(=O)O

$$$$
CID37542
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 17 18 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 1.732 -0.5 0.0 0
M  V30 2 C 0.866 0.0 0.0 0
M  V30 3 N 0.866 1.0 0.0 0
M  V30 4 C 0.0 -0.5 0.0 0
M  V30 5 N -0.9135 -0.0932 0.0 0
M  V30 6 N -0.1045 -1.4945 0.0 0
M  V30 7 N -1.5826 -0.8364 0.0 0
M  V30 8 C -1.0826 -1.7024 0.0 0
M  V30 9 C -2.5771 -0.7318 0.0 0 CFG=2
M  V30 10 O -3.0771 0.1341 0.0 0
M  V30 11 C -3.2463 -1.475 0.0 0 CFG=2
M  V30 12 C -4.0553 -0.0737 0.0 0 CFG=1
M  V30 13 O -3.0384 -2.4531 0.0 0
M  V30 14 C -4.1598 -1.0682 0.0 0 CFG=1
M  V30 15 C -4.7984 0.5953 0.0 0
M  V30 16 O -5.0258 -1.5682 0.0 0
M  V30 17 O -5.7495 0.2863 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 2 4 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 2 6 8
M  V30 8 1 9 7 CFG=1
M  V30 9 1 9 10
M  V30 10 1 11 9
M  V30 11 1 12 10
M  V30 12 1 11 13 CFG=3
M  V30 13 1 14 11
M  V30 14 1 12 15 CFG=1
M  V30 15 1 14 16 CFG=3
M  V30 16 1 15 17
M  V30 17 1 7 8
M  V30 18 1 12 14
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(4 9 11 12 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
CID37542

>  <name>
ribavirin

>  <smiles>
c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N

$$$$
CID159269
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 17 18 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.1282 0.9906 0.0 0
M  V30 2 C 4.7159 0.1816 0.0 0
M  V30 3 N 4.3092 -0.7318 0.0 0
M  V30 4 N 5.7105 0.2861 0.0 0
M  V30 5 C 4.897 -1.5408 0.0 0
M  V30 6 C 3.3147 -0.8364 0.0 0 CFG=1
M  V30 7 C 6.2982 -0.5228 0.0 0
M  V30 8 C 5.8915 -1.4363 0.0 0
M  V30 9 O 2.6455 -0.0932 0.0 0
M  V30 10 C 2.8147 -1.7024 0.0 0
M  V30 11 O 7.2928 -0.4182 0.0 0
M  V30 12 C 6.4793 -2.2453 0.0 0
M  V30 13 C 1.732 -0.5 0.0 0 CFG=2
M  V30 14 C 1.8365 -1.4945 0.0 0 CFG=2
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 1.0934 -2.1636 0.0 0
M  V30 17 O 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 3 CFG=3
M  V30 6 1 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 2 7 11
M  V30 11 1 8 12
M  V30 12 1 13 9
M  V30 13 1 14 10
M  V30 14 1 13 15 CFG=3
M  V30 15 1 14 16 CFG=1
M  V30 16 1 15 17
M  V30 17 1 7 8
M  V30 18 1 13 14
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(3 6 13 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
CID159269

>  <name>
telbivudine

>  <smiles>
Cc1cn(c(=O)[nH]c1=O)[C@@H]2C[C@H]([C@@H](O2)CO)O

$$$$
CID5311498
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 90 97 0 0 0
M  V30 BEGIN ATOM
M  V30 1 P 3.4641 5.4999 0.0 0
M  V30 2 O 2.4641 5.4999 0.0 0
M  V30 3 O 4.3301 5.9999 0.0 0
M  V30 4 O 3.4641 4.4999 0.0 0
M  V30 5 O 2.9641 6.366 0.0 0 VAL=1
M  V30 6 C 4.3301 6.9999 0.0 0 CFG=1
M  V30 7 C 2.598 3.9999 0.0 0 CFG=1
M  V30 8 C 3.5211 7.5877 0.0 0 CFG=1
M  V30 9 C 5.1391 7.5877 0.0 0 CFG=2
M  V30 10 C 2.598 3.0 0.0 0
M  V30 11 C 1.732 4.4999 0.0 0
M  V30 12 O 2.57 7.2787 0.0 0
M  V30 13 C 3.8301 8.5388 0.0 0 CFG=2
M  V30 14 O 4.8301 8.5388 0.0 0
M  V30 15 C 6.0902 7.2787 0.0 0
M  V30 16 N 1.732 2.4999 0.0 0
M  V30 17 N 3.2423 9.3478 0.0 0
M  V30 18 O 6.2981 6.3006 0.0 0
M  V30 19 C 1.732 1.4999 0.0 0
M  V30 20 C 2.2423 9.3478 0.0 0
M  V30 21 C 3.5513 10.2989 0.0 0
M  V30 22 O 2.598 0.9999 0.0 0
M  V30 23 C 0.866 0.9999 0.0 0
M  V30 24 C 1.9333 10.2989 0.0 0
M  V30 25 C 1.5732 8.6047 0.0 0
M  V30 26 N 2.7423 10.8867 0.0 0
M  V30 27 C 0.866 0.0 0.0 0
M  V30 28 C 0.9551 10.5068 0.0 0
M  V30 29 C 0.595 8.8126 0.0 0
M  V30 30 C 0.0 -0.5 0.0 0 CFG=1
M  V30 31 C 0.286 9.7636 0.0 0
M  V30 32 C -0.074 8.0694 0.0 0
M  V30 33 C -0.9135 -0.0932 0.0 0
M  V30 34 C -0.1045 -1.4945 0.0 0 CFG=2
M  V30 35 C 0.8386 -1.0446 0.0 0
M  V30 36 C -0.6921 9.9715 0.0 0
M  V30 37 N -1.5826 -0.8364 0.0 0
M  V30 38 C -1.5217 0.9542 0.0 0
M  V30 39 C -1.0826 -1.7024 0.0 0 CFG=1
M  V30 40 C 0.6386 -2.1636 0.0 0
M  V30 41 C -2.4999 1.6686 0.0 0
M  V30 42 C -0.7786 1.6233 0.0 0
M  V30 43 C -2.0345 -2.7595 0.0 0 CFG=2
M  V30 44 C 1.5896 -1.8546 0.0 0
M  V30 45 N -3.3089 1.0808 0.0 0
M  V30 46 C -2.8089 2.6196 0.0 0 CFG=2
M  V30 47 N -2.948 -2.3528 0.0 0
M  V30 48 C -2.139 -3.754 0.0 0 CFG=2
M  V30 49 C -1.1209 -3.1663 0.0 0
M  V30 50 O 1.7975 -0.8764 0.0 0
M  V30 51 N 2.3328 -2.5237 0.0 0
M  V30 52 C -4.1179 1.6686 0.0 0
M  V30 53 C -3.8089 2.6196 0.0 0
M  V30 54 C -2.2211 3.4286 0.0 0
M  V30 55 C -3.6172 -3.0959 0.0 0
M  V30 56 C -3.1172 -3.962 0.0 0 CFG=1
M  V30 57 C -1.3959 -4.4232 0.0 0
M  V30 58 C -2.3978 -4.72 0.0 0
M  V30 59 C -5.0961 0.9542 0.0 0
M  V30 60 C -3.9134 3.6141 0.0 0
M  V30 61 C -4.7224 3.0263 0.0 0
M  V30 62 C -2.6279 4.3422 0.0 0
M  V30 63 C -4.7225 -2.6005 0.0 0
M  V30 64 C -3.5239 -4.8755 0.0 0
M  V30 65 C -1.6038 -5.4013 0.0 0
M  V30 66 C -5.7043 -0.0932 0.0 0
M  V30 67 C -2.0401 5.1512 0.0 0
M  V30 68 C -5.5352 -1.7024 0.0 0
M  V30 69 C -5.3102 -3.4095 0.0 0
M  V30 70 C -4.5184 -4.98 0.0 0
M  V30 71 O -0.8606 -6.0704 0.0 0
M  V30 72 N -2.5548 -5.7103 0.0 0
M  V30 73 N -5.0352 -0.8364 0.0 0
M  V30 74 C -6.6179 -0.4999 0.0 0 CFG=2
M  V30 75 O -1.0456 5.0467 0.0 0
M  V30 76 N -2.4468 6.0647 0.0 0
M  V30 77 C -6.5133 -1.4945 0.0 0 CFG=2
M  V30 78 C -4.9251 -5.8936 0.0 0
M  V30 79 C -7.4839 0.0 0.0 0
M  V30 80 C -7.2565 -2.1636 0.0 0
M  V30 81 C -6.2545 -2.4604 0.0 0
M  V30 82 O -4.3374 -6.7026 0.0 0
M  V30 83 N -5.9197 -5.9981 0.0 0
M  V30 84 C -7.4839 1.0 0.0 0
M  V30 85 C -8.2075 -1.8546 0.0 0
M  V30 86 C -8.3499 1.5 0.0 0
M  V30 87 O -8.9507 -2.5237 0.0 0
M  V30 88 N -8.4155 -0.8764 0.0 0
M  V30 89 O -9.216 1.0 0.0 0
M  V30 90 N -8.3499 2.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 1 3
M  V30 3 1 1 4
M  V30 4 1 1 5
M  V30 5 1 6 3 CFG=1
M  V30 6 1 7 4 CFG=1
M  V30 7 1 8 6
M  V30 8 1 9 6
M  V30 9 1 7 10
M  V30 10 1 7 11
M  V30 11 1 8 12 CFG=1
M  V30 12 1 13 8
M  V30 13 1 9 14
M  V30 14 1 9 15 CFG=3
M  V30 15 1 10 16
M  V30 16 1 13 17 CFG=1
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 17 21
M  V30 21 2 19 22
M  V30 22 1 19 23
M  V30 23 2 20 24
M  V30 24 1 20 25
M  V30 25 2 21 26
M  V30 26 1 23 27
M  V30 27 1 24 28
M  V30 28 2 25 29
M  V30 29 1 30 27
M  V30 30 2 28 31
M  V30 31 1 29 32
M  V30 32 1 30 33
M  V30 33 1 34 30
M  V30 34 1 30 35 CFG=1
M  V30 35 1 31 36
M  V30 36 2 33 37
M  V30 37 1 33 38
M  V30 38 1 39 34
M  V30 39 1 34 40 CFG=1
M  V30 40 2 38 41 CFG=2
M  V30 41 1 38 42
M  V30 42 1 43 39
M  V30 43 1 40 44
M  V30 44 1 41 45
M  V30 45 1 46 41
M  V30 46 1 43 47
M  V30 47 1 48 43
M  V30 48 1 43 49 CFG=3
M  V30 49 2 44 50
M  V30 50 1 44 51
M  V30 51 2 45 52
M  V30 52 1 46 53
M  V30 53 1 46 54 CFG=3
M  V30 54 1 47 55
M  V30 55 1 56 48
M  V30 56 1 48 57
M  V30 57 1 48 58 CFG=3
M  V30 58 1 52 59
M  V30 59 1 53 60
M  V30 60 1 53 61
M  V30 61 1 54 62
M  V30 62 2 55 63 CFG=2
M  V30 63 1 56 64 CFG=3
M  V30 64 1 57 65
M  V30 65 2 59 66 CFG=2
M  V30 66 1 62 67
M  V30 67 1 63 68
M  V30 68 1 63 69
M  V30 69 1 64 70
M  V30 70 2 65 71
M  V30 71 1 65 72
M  V30 72 1 66 73
M  V30 73 1 74 66
M  V30 74 2 67 75
M  V30 75 1 67 76
M  V30 76 1 77 68
M  V30 77 1 70 78
M  V30 78 1 74 79 CFG=3
M  V30 79 1 77 80
M  V30 80 1 77 81 CFG=3
M  V30 81 2 78 82
M  V30 82 1 78 83
M  V30 83 1 79 84
M  V30 84 1 80 85
M  V30 85 1 84 86
M  V30 86 2 85 87
M  V30 87 1 85 88
M  V30 88 2 86 89
M  V30 89 1 86 90
M  V30 90 1 13 14
M  V30 91 1 24 26
M  V30 92 1 29 31
M  V30 93 1 39 37 CFG=3
M  V30 94 1 52 53
M  V30 95 1 55 56
M  V30 96 2 68 73
M  V30 97 1 74 77
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(14 6 7 8 9 13 30 34 39 43 46 48 56 74 77)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
CID5311498

>  <name>
vitamin B12

>  <smiles>
Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O])O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)[C@H](C8(C)C)CCC(=O)N)[C@H]([C@]7(C)CC(=O)N)CCC(=O)N)C)N6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O

$$$$
CID9433
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 13 14 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 0.866 0.0 0.0 0
M  V30 2 C 0.0 -0.5 0.0 0
M  V30 3 N -0.866 0.0 0.0 0
M  V30 4 N 0.0 -1.4999 0.0 0
M  V30 5 C -1.732 -0.4999 0.0 0
M  V30 6 C -0.866 1.0 0.0 0
M  V30 7 C -0.866 -1.9999 0.0 0
M  V30 8 C 0.866 -1.9999 0.0 0
M  V30 9 O -2.598 0.0 0.0 0
M  V30 10 C -1.732 -1.4999 0.0 0
M  V30 11 N -1.0739 -2.9781 0.0 0
M  V30 12 N -2.4751 -2.1691 0.0 0
M  V30 13 C -2.0684 -3.0826 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 2 5 9
M  V30 9 1 5 10
M  V30 10 1 7 11
M  V30 11 1 10 12
M  V30 12 2 11 13
M  V30 13 2 7 10
M  V30 14 1 12 13
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
CID9433

>  <name>
aminophylline

>  <smiles>
Cn1c2c(c(=O)n(c1=O)C)[nH]cn2

$$$$
CID936
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 9 9 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -0.75 0.0 0
M  V30 2 C 1.299 0.0 0.0 0
M  V30 3 N 1.299 1.5 0.0 0
M  V30 4 C 0.0 -0.75 0.0 0
M  V30 5 C -1.299 0.0 0.0 0
M  V30 6 C 0.0 -2.25 0.0 0
M  V30 7 N -2.598 -0.7499 0.0 0
M  V30 8 C -1.299 -2.9999 0.0 0
M  V30 9 C -2.598 -2.2499 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 2 4 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 2 6 8
M  V30 8 2 7 9
M  V30 9 1 8 9
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
CID936

>  <name>
nicotinamide

>  <smiles>
c1cc(cnc1)C(=O)N

$$$$
CID9458
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 17 17 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.4641 2.5 0.0 0
M  V30 2 C 3.4641 2.5 0.0 0
M  V30 3 F 3.4641 3.5 0.0 0
M  V30 4 F 4.4641 2.5 0.0 0
M  V30 5 C 3.4641 1.5 0.0 0
M  V30 6 C 2.598 1.0 0.0 0
M  V30 7 C 4.3301 1.0 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 C 4.3301 0.0 0.0 0
M  V30 10 O 1.732 -0.5 0.0 0
M  V30 11 C 3.4641 -0.4999 0.0 0
M  V30 12 C 0.866 0.0 0.0 0
M  V30 13 C 3.4641 -1.5 0.0 0
M  V30 14 O 0.866 1.0 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 O 2.598 -2.0 0.0 0
M  V30 17 O 4.3301 -2.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 1 8 10
M  V30 10 2 8 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 9 11
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
CID9458

>  <name>
triflusal

>  <smiles>
CC(=O)Oc1c(ccc(c1)C(F)(F)F)C(=O)O

$$$$
CID2310
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 11 11 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O -3.8971 0.0 0.0 0
M  V30 2 C -2.598 -0.7499 0.0 0
M  V30 3 N -2.598 -2.2499 0.0 0
M  V30 4 C -1.299 0.0 0.0 0
M  V30 5 C -1.299 -2.9999 0.0 0
M  V30 6 C 0.0 -0.75 0.0 0
M  V30 7 O -1.299 -4.4999 0.0 0
M  V30 8 C 0.0 -2.25 0.0 0
M  V30 9 C 1.299 0.0 0.0 0
M  V30 10 C 1.299 -1.5 0.0 0
M  V30 11 C 2.598 -0.75 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 9 11
M  V30 11 1 6 8
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
CID2310

>  <name>
bemegride

>  <smiles>
CCC1(CC(=O)NC(=O)C1)C

$$$$
CID 2724368
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 11 11 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -0.75 0.0 0
M  V30 2 C 1.299 0.0 0.0 0
M  V30 3 O 1.299 1.5 0.0 0 VAL=1
M  V30 4 C 0.0 -0.75 0.0 0
M  V30 5 C -1.299 0.0 0.0 0
M  V30 6 C 0.0 -2.2499 0.0 0
M  V30 7 O -1.299 1.5 0.0 0
M  V30 8 C -2.598 -0.7499 0.0 0
M  V30 9 C -1.299 -2.9999 0.0 0
M  V30 10 C -2.598 -2.2499 0.0 0
M  V30 11 N -3.8971 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 2 4 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 2 8 10
M  V30 10 1 10 11
M  V30 11 1 9 10
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
CID 2724368

>  <name>
aminosalicylate Sodium

>  <smiles>
c1cc(c(cc1N)O)C(=O)[O]

$$$$
CID1046
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 9 9 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -0.75 0.0 0
M  V30 2 C 1.299 0.0 0.0 0
M  V30 3 N 1.299 1.5 0.0 0
M  V30 4 C 0.0 -0.75 0.0 0
M  V30 5 N -1.299 0.0 0.0 0
M  V30 6 C 0.0 -2.25 0.0 0
M  V30 7 C -2.598 -0.7499 0.0 0
M  V30 8 N -1.299 -2.9999 0.0 0
M  V30 9 C -2.598 -2.2499 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 2 4 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 2 6 8
M  V30 8 2 7 9
M  V30 9 1 8 9
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
CID1046

>  <name>
pyrazinamide

>  <smiles>
c1cnc(cn1)C(=O)N

$$$$
CID5394
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 14 15 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.443 -2.0574 0.0 0
M  V30 2 C 6.4393 -0.9427 0.0 0
M  V30 3 N 6.9028 0.4838 0.0 0
M  V30 4 N 4.972 -1.2546 0.0 0
M  V30 5 N 5.8991 1.5985 0.0 0
M  V30 6 C 8.37 0.7957 0.0 0
M  V30 7 C 3.9683 -0.1398 0.0 0
M  V30 8 C 4.222 -2.5536 0.0 0
M  V30 9 N 4.4319 1.2866 0.0 0
M  V30 10 C 2.598 -0.75 0.0 0
M  V30 11 N 2.7548 -2.2417 0.0 0
M  V30 12 C 1.299 0.0 0.0 0
M  V30 13 O 1.299 1.5 0.0 0
M  V30 14 N 0.0 -0.75 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 2 5 9
M  V30 9 2 7 10
M  V30 10 2 8 11
M  V30 11 1 10 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 7 9
M  V30 15 1 10 11
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
CID5394

>  <name>
temozolomide

>  <smiles>
Cn1c(=O)n2cnc(c2nn1)C(=O)N

$$$$
CID4100
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 14 14 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 4.0874 2.1159 0.0 0
M  V30 2 O 5.001 1.7092 0.0 0
M  V30 3 O 3.1739 2.5227 0.0 0
M  V30 4 N 4.4942 3.0295 0.0 0
M  V30 5 C 3.6807 1.2024 0.0 0
M  V30 6 S 2.7026 0.9945 0.0 0
M  V30 7 N 4.1807 0.3364 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 N 3.5116 -0.4067 0.0 0
M  V30 10 N 1.732 -0.5 0.0 0
M  V30 11 C 3.7195 -1.3848 0.0 0
M  V30 12 C 0.866 0.0 0.0 0
M  V30 13 O 0.866 1.0 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 2 1 3
M  V30 3 1 1 4
M  V30 4 1 1 5
M  V30 5 1 5 6
M  V30 6 2 5 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 2 8 10 CFG=2
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 8 9
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
CID4100

>  <name>
methazolamide

>  <smiles>
CC(=O)N=c1n(nc(s1)S(=O)(=O)N)C

$$$$
CID72139
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 11 12 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 0.9705 0.9945 0.0 0
M  V30 2 C 0.866 0.0 0.0 0
M  V30 3 C 1.9487 1.2024 0.0 0
M  V30 4 O 0.0 -0.5 0.0 0
M  V30 5 O 1.7795 -0.4067 0.0 0
M  V30 6 C 2.4487 0.3364 0.0 0
M  V30 7 C 2.4487 2.0684 0.0 0
M  V30 8 C 3.4487 0.3364 0.0 0
M  V30 9 C 3.4487 2.0684 0.0 0
M  V30 10 C 3.9487 1.2024 0.0 0
M  V30 11 O 4.9487 1.2024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 3 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 10 11
M  V30 11 1 5 6
M  V30 12 1 9 10
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
CID72139

>  <name>
tioxolone

>  <smiles>
c1cc2c(cc1O)oc(=O)s2

$$$$
CID657298
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 11 11 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 5.1961 -0.5 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 N 4.3301 1.0 0.0 0
M  V30 4 N 3.4641 -0.4999 0.0 0
M  V30 5 C 3.4641 1.5 0.0 0
M  V30 6 C 2.598 0.0 0.0 0
M  V30 7 O 3.4641 2.5 0.0 0
M  V30 8 C 2.598 1.0 0.0 0
M  V30 9 C 1.732 -0.5 0.0 0
M  V30 10 C 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 2 6 8
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
CID657298

>  <name>
propylthiouracil

>  <smiles>
CCCc1cc(=O)[nH]c(=S)[nH]1

$$$$
CID6058
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 4 3 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 2.598 0.0 0.0 0
M  V30 2 C 1.732 -0.5 0.0 0
M  V30 3 C 0.866 0.0 0.0 0
M  V30 4 N 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
CID6058

>  <name>
cysteamine

>  <smiles>
C(CS)N

$$$$
CID6082
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 15 15 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 2.25 0.0 0
M  V30 2 C 3.8971 1.5 0.0 0
M  V30 3 C 1.299 1.5 0.0 0
M  V30 4 C 3.8971 0.0 0.0 0
M  V30 5 C 5.1961 2.25 0.0 0
M  V30 6 C 5.1961 -0.75 0.0 0
M  V30 7 C 2.598 -0.75 0.0 0
M  V30 8 C 6.4951 1.5 0.0 0
M  V30 9 C 6.4951 0.0 0.0 0
M  V30 10 O 1.299 0.0 0.0 0
M  V30 11 C 2.598 -2.25 0.0 0
M  V30 12 O 7.7942 -0.75 0.0 0
M  V30 13 N 3.8971 -3.0 0.0 0
M  V30 14 C 1.299 -3.0 0.0 0
M  V30 15 C 9.0932 0.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 1 4 6
M  V30 6 1 4 7
M  V30 7 2 5 8
M  V30 8 2 6 9
M  V30 9 1 7 10
M  V30 10 1 7 11
M  V30 11 1 9 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 8 9
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
CID6082

>  <name>
methoxamine

>  <smiles>
CC(C(c1c(ccc(c1)OC)OC)O)N

$$$$
CID5734
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 14 15 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 1.732 -0.5 0.0 0
M  V30 2 O 1.232 -1.366 0.0 0
M  V30 3 O 2.232 0.366 0.0 0
M  V30 4 N 2.598 -0.9999 0.0 0
M  V30 5 C 0.866 0.0 0.0 0
M  V30 6 C 0.0 -0.5 0.0 0
M  V30 7 N -0.9135 -0.0932 0.0 0
M  V30 8 C -0.1045 -1.4945 0.0 0
M  V30 9 O -1.5826 -0.8364 0.0 0
M  V30 10 C -1.0826 -1.7024 0.0 0
M  V30 11 C 0.5646 -2.2376 0.0 0
M  V30 12 C -1.3916 -2.6534 0.0 0
M  V30 13 C 0.2555 -3.1887 0.0 0
M  V30 14 C -0.7225 -3.3966 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 2 1 3
M  V30 3 1 1 4
M  V30 4 1 1 5
M  V30 5 1 5 6
M  V30 6 2 6 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 10 12
M  V30 12 2 11 13
M  V30 13 2 12 14
M  V30 14 1 9 10
M  V30 15 1 13 14
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
CID5734

>  <name>
zonisamide

>  <smiles>
c1ccc2c(c1)c(no2)CS(=O)(=O)N

$$$$
CID448337
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 11 11 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 1.5 0.0 0
M  V30 2 C 4.3301 1.0 0.0 0
M  V30 3 C 3.4641 1.5 0.0 0
M  V30 4 C 4.3301 0.0 0.0 0
M  V30 5 C 2.598 0.9999 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 C 2.598 0.0 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0 CFG=2
M  V30 9 O 1.732 -1.5 0.0 0
M  V30 10 C 0.866 0.0 0.0 0
M  V30 11 N 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 7
M  V30 8 1 8 9 CFG=3
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 6 7
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
CID448337

>  <name>
(+,-)-octopamine

>  <smiles>
c1cc(ccc1[C@@H](CN)O)O

$$$$
CID16231
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 15 15 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 9.0932 0.0 0.0 0
M  V30 2 C 7.7942 -0.75 0.0 0
M  V30 3 N 6.4951 0.0 0.0 0
M  V30 4 C 7.7942 -2.2499 0.0 0
M  V30 5 C 5.1961 -0.75 0.0 0
M  V30 6 N 6.4951 -3.0 0.0 0
M  V30 7 N 9.0932 -2.9999 0.0 0
M  V30 8 C 5.1961 -2.2499 0.0 0
M  V30 9 C 3.8971 0.0 0.0 0
M  V30 10 N 3.8971 -2.9999 0.0 0
M  V30 11 O 3.8971 1.5 0.0 0
M  V30 12 N 2.598 -0.75 0.0 0
M  V30 13 C 1.299 0.0 0.0 0
M  V30 14 N 1.299 1.5 0.0 0
M  V30 15 N 0.0 -0.75 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 4 7
M  V30 7 2 5 8
M  V30 8 1 5 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 2 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 6 8
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
CID16231

>  <name>
amiloride

>  <smiles>
c1(c(nc(c(n1)Cl)N)N)C(=O)N=C(N)N

$$$$
CID5311054
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 81 81 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 18.115 -2.8311 0.0 0
M  V30 2 C 18.0695 -1.8321 0.0 0
M  V30 3 N 17.0737 -1.7412 0.0 0
M  V30 4 C 19.053 -1.651 0.0 0 CFG=1
M  V30 5 C 16.1393 -1.385 0.0 0
M  V30 6 N 19.9511 -1.2113 0.0 0
M  V30 7 C 19.3663 -2.6007 0.0 0 CFG=2
M  V30 8 C 15.3356 -0.7898 0.0 0
M  V30 9 C 20.6973 -0.5455 0.0 0
M  V30 10 O 18.7006 -3.3468 0.0 0
M  V30 11 C 20.3454 -2.8041 0.0 0
M  V30 12 C 14.7224 0.0 0.0 0 CFG=2
M  V30 13 O 21.4584 -1.1941 0.0 0
M  V30 14 C 21.2362 0.2967 0.0 0 CFG=1
M  V30 15 N 13.8564 -0.5 0.0 0
M  V30 16 C 14.345 0.926 0.0 0
M  V30 17 N 21.5278 1.2533 0.0 0
M  V30 18 C 22.1441 -0.1223 0.0 0
M  V30 19 C 13.8564 -1.5 0.0 0
M  V30 20 O 13.3762 0.6782 0.0 0
M  V30 21 N 14.2314 1.9195 0.0 0
M  V30 22 C 21.5506 2.253 0.0 0
M  V30 23 C 22.9611 0.4542 0.0 0
M  V30 24 O 14.7224 -2.0 0.0 0
M  V30 25 C 12.9903 -1.9999 0.0 0 CFG=1
M  V30 26 C 14.3901 2.9069 0.0 0 CFG=2
M  V30 27 O 22.5441 2.3666 0.0 0
M  V30 28 C 21.3028 3.2218 0.0 0 CFG=1
M  V30 29 N 23.869 0.0351 0.0 0
M  V30 30 N 12.9903 -2.9999 0.0 0
M  V30 31 C 12.1243 -1.4999 0.0 0
M  V30 32 C 14.8092 3.8148 0.0 0
M  V30 33 C 13.4335 3.1985 0.0 0
M  V30 34 N 20.8028 4.0878 0.0 0
M  V30 35 C 22.2288 3.5992 0.0 0
M  V30 36 C 12.1243 -3.4999 0.0 0
M  V30 37 C 11.2583 -1.9999 0.0 0
M  V30 38 O 13.9669 4.3537 0.0 0
M  V30 39 N 15.4578 4.5759 0.0 0
M  V30 40 C 12.7027 2.5159 0.0 0
M  V30 41 C 20.0877 4.7868 0.0 0
M  V30 42 C 22.365 4.5899 0.0 0
M  V30 43 O 11.2583 -2.9999 0.0 0
M  V30 44 C 12.1243 -4.4999 0.0 0 CFG=1
M  V30 45 N 10.3923 -1.4999 0.0 0
M  V30 46 C 16.2877 5.1338 0.0 0 CFG=1
M  V30 47 N 11.7462 2.8076 0.0 0
M  V30 48 O 20.6828 5.5905 0.0 0
M  V30 49 C 19.2105 5.267 0.0 0 CFG=1
M  V30 50 N 23.2911 4.9673 0.0 0
M  V30 51 N 11.2583 -4.9999 0.0 0
M  V30 52 C 12.9903 -4.9999 0.0 0 CFG=2
M  V30 53 C 17.2373 5.4472 0.0 0
M  V30 54 C 15.848 6.032 0.0 0
M  V30 55 N 18.2363 5.4927 0.0 0
M  V30 56 C 19.5668 6.2014 0.0 0
M  V30 57 C 11.2583 -5.9999 0.0 0
M  V30 58 O 13.8564 -4.4999 0.0 0
M  V30 59 C 12.9903 -5.9999 0.0 0
M  V30 60 O 17.0562 6.4306 0.0 0
M  V30 61 C 14.8503 6.1002 0.0 0
M  V30 62 C 18.9357 6.9771 0.0 0
M  V30 63 O 12.1243 -6.4999 0.0 0
M  V30 64 C 10.3923 -6.4999 0.0 0 CFG=1
M  V30 65 C 14.2924 5.2703 0.0 0
M  V30 66 C 14.4106 6.9983 0.0 0
M  V30 67 C 17.9483 6.8184 0.0 0
M  V30 68 C 19.2919 7.9115 0.0 0
M  V30 69 N 10.3923 -7.4999 0.0 0
M  V30 70 C 9.5262 -5.9999 0.0 0
M  V30 71 C 9.5262 -7.9999 0.0 0
M  V30 72 C 8.6602 -6.4999 0.0 0
M  V30 73 O 8.6602 -7.4999 0.0 0
M  V30 74 C 9.5262 -8.9999 0.0 0
M  V30 75 N 7.7942 -5.9999 0.0 0
M  V30 76 C 8.6602 -9.4999 0.0 0
M  V30 77 C 8.6602 -10.4999 0.0 0
M  V30 78 C 7.7942 -10.9999 0.0 0
M  V30 79 C 7.7942 -11.9999 0.0 0
M  V30 80 C 6.9282 -10.4999 0.0 0
M  V30 81 C 6.9282 -12.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 4 2
M  V30 4 1 3 5
M  V30 5 1 4 6 CFG=1
M  V30 6 1 7 4
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 7 10 CFG=1
M  V30 10 1 7 11
M  V30 11 1 12 8
M  V30 12 2 9 13
M  V30 13 1 14 9
M  V30 14 1 12 15 CFG=3
M  V30 15 1 12 16
M  V30 16 1 14 17
M  V30 17 1 14 18 CFG=1
M  V30 18 1 15 19
M  V30 19 2 16 20
M  V30 20 1 16 21
M  V30 21 1 17 22
M  V30 22 1 18 23
M  V30 23 2 19 24
M  V30 24 1 25 19
M  V30 25 1 26 21
M  V30 26 2 22 27
M  V30 27 1 28 22
M  V30 28 1 23 29
M  V30 29 1 25 30 CFG=1
M  V30 30 1 25 31
M  V30 31 1 26 32
M  V30 32 1 26 33 CFG=1
M  V30 33 1 28 34
M  V30 34 1 28 35 CFG=1
M  V30 35 1 30 36
M  V30 36 1 31 37
M  V30 37 2 32 38
M  V30 38 1 32 39
M  V30 39 1 33 40
M  V30 40 1 34 41
M  V30 41 1 35 42
M  V30 42 2 36 43
M  V30 43 1 44 36
M  V30 44 1 37 45
M  V30 45 1 46 39
M  V30 46 1 40 47
M  V30 47 2 41 48
M  V30 48 1 49 41
M  V30 49 1 42 50
M  V30 50 1 44 51 CFG=3
M  V30 51 1 52 44
M  V30 52 1 46 53
M  V30 53 1 46 54 CFG=3
M  V30 54 1 49 55
M  V30 55 1 49 56 CFG=1
M  V30 56 1 51 57
M  V30 57 1 52 58 CFG=3
M  V30 58 1 52 59
M  V30 59 2 53 60
M  V30 60 1 54 61
M  V30 61 1 56 62
M  V30 62 2 57 63
M  V30 63 1 64 57
M  V30 64 1 61 65
M  V30 65 1 61 66
M  V30 66 1 62 67
M  V30 67 1 62 68
M  V30 68 1 64 69 CFG=1
M  V30 69 1 64 70
M  V30 70 1 69 71
M  V30 71 1 70 72
M  V30 72 2 71 73
M  V30 73 1 71 74
M  V30 74 1 72 75
M  V30 75 1 74 76
M  V30 76 1 76 77
M  V30 77 1 77 78
M  V30 78 1 78 79
M  V30 79 1 78 80
M  V30 80 1 79 81
M  V30 81 1 53 55
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(12 4 7 12 14 25 26 28 44 46 49 52 64)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
CID5311054

>  <name>
colistin

>  <smiles>
CCC(C)CCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)CC(C)C)CC(C)C)CCN)CCN)[C@@H](C)O

$$$$
CID454216
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 51 55 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 9.6602 -1.5 0.0 0
M  V30 2 C 8.6602 -1.5 0.0 0
M  V30 3 F 8.6602 -2.5 0.0 0
M  V30 4 F 7.6602 -1.5 0.0 0
M  V30 5 C 8.6602 -0.5 0.0 0
M  V30 6 O 7.7942 0.0 0.0 0
M  V30 7 N 9.5262 0.0 0.0 0
M  V30 8 C 9.5262 0.9999 0.0 0 CFG=2
M  V30 9 C 10.3923 1.4999 0.0 0 CFG=2
M  V30 10 C 8.6602 1.4999 0.0 0
M  V30 11 O 11.2583 0.9999 0.0 0
M  V30 12 C 10.3923 2.4999 0.0 0 CFG=1
M  V30 13 C 8.6602 2.4999 0.0 0 CFG=1
M  V30 14 O 9.5262 2.9999 0.0 0
M  V30 15 C 11.2583 2.9999 0.0 0
M  V30 16 O 7.7942 2.9999 0.0 0
M  V30 17 C 6.9282 2.4999 0.0 0 CFG=2
M  V30 18 C 6.0621 2.9999 0.0 0
M  V30 19 C 6.9282 1.4999 0.0 0
M  V30 20 C 6.0621 3.9999 0.0 0
M  V30 21 C 5.1961 2.5 0.0 0
M  V30 22 C 6.0621 0.9999 0.0 0 CFG=2
M  V30 23 O 6.9282 4.4999 0.0 0
M  V30 24 C 5.1961 4.5 0.0 0
M  V30 25 C 4.3301 3.0 0.0 0
M  V30 26 C 5.1961 1.5 0.0 0
M  V30 27 O 6.9282 0.4999 0.0 0
M  V30 28 C 6.0621 0.0 0.0 0
M  V30 29 C 5.1961 5.5 0.0 0
M  V30 30 C 4.3301 4.0 0.0 0
M  V30 31 O 3.4641 2.5 0.0 0
M  V30 32 O 6.9282 -0.5 0.0 0
M  V30 33 C 5.1961 -0.5 0.0 0
M  V30 34 O 6.0621 6.0 0.0 0
M  V30 35 C 4.3301 6.0 0.0 0
M  V30 36 C 3.4641 4.5 0.0 0
M  V30 37 O 4.3301 0.0 0.0 0
M  V30 38 C 4.3301 7.0 0.0 0
M  V30 39 C 3.4641 5.5 0.0 0
M  V30 40 O 2.598 4.0 0.0 0
M  V30 41 C 3.4641 -0.5 0.0 0
M  V30 42 O 5.1961 7.4999 0.0 0
M  V30 43 C 3.4641 7.5 0.0 0
M  V30 44 C 2.598 6.0 0.0 0
M  V30 45 O 3.4641 -1.5 0.0 0
M  V30 46 C 2.598 0.0 0.0 0
M  V30 47 C 5.1961 8.4999 0.0 0
M  V30 48 C 2.598 7.0 0.0 0
M  V30 49 C 1.732 -0.5 0.0 0
M  V30 50 C 0.866 0.0 0.0 0
M  V30 51 C 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 8 7 CFG=1
M  V30 8 1 9 8
M  V30 9 1 8 10
M  V30 10 1 9 11 CFG=1
M  V30 11 1 12 9
M  V30 12 1 13 10
M  V30 13 1 12 14
M  V30 14 1 12 15 CFG=1
M  V30 15 1 13 16 CFG=3
M  V30 16 1 17 16 CFG=1
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 22 19
M  V30 22 1 20 23
M  V30 23 1 20 24
M  V30 24 2 21 25
M  V30 25 1 21 26
M  V30 26 1 22 27 CFG=1
M  V30 27 1 22 28
M  V30 28 1 24 29
M  V30 29 2 24 30
M  V30 30 1 25 31
M  V30 31 2 28 32
M  V30 32 1 28 33
M  V30 33 2 29 34
M  V30 34 1 29 35
M  V30 35 1 30 36
M  V30 36 1 33 37
M  V30 37 2 35 38
M  V30 38 1 35 39
M  V30 39 2 36 40
M  V30 40 1 37 41
M  V30 41 1 38 42
M  V30 42 1 38 43
M  V30 43 2 39 44
M  V30 44 2 41 45
M  V30 45 1 41 46
M  V30 46 1 42 47
M  V30 47 2 43 48
M  V30 48 1 46 49
M  V30 49 1 49 50
M  V30 50 1 50 51
M  V30 51 1 13 14
M  V30 52 1 22 26
M  V30 53 1 25 30
M  V30 54 1 36 39
M  V30 55 1 44 48
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(6 8 9 12 13 17 22)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
CID454216

>  <name>
valrubicin

>  <smiles>
CCCCC(=O)OCC(=O)[C@]1(C[C@@H](c2c(C1)c(c3c(c2O)C(=O)c4c(C3=O)cccc4OC)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)NC(=O)C(F)(F)F)O

$$$$
CID6918173
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 92 98 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 7.0721 13.3237 0.0 0
M  V30 2 C 6.3221 12.0247 0.0 0
M  V30 3 C 8.5393 13.0118 0.0 0
M  V30 4 C 7.3258 10.91 0.0 0
M  V30 5 C 4.8303 11.8679 0.0 0
M  V30 6 C 8.6961 11.5201 0.0 0
M  V30 7 C 4.2202 10.4976 0.0 0 CFG=2
M  V30 8 N 5.1019 9.284 0.0 0
M  V30 9 C 2.7284 10.3408 0.0 0
M  V30 10 C 4.4918 7.9137 0.0 0
M  V30 11 O 2.1183 8.9705 0.0 0
M  V30 12 N 1.8467 11.5543 0.0 0
M  V30 13 O 3.0 7.7569 0.0 0
M  V30 14 C 5.3734 6.7002 0.0 0
M  V30 15 C 0.355 11.3975 0.0 0 CFG=2
M  V30 16 N 4.7633 5.3299 0.0 0
M  V30 17 C -0.5266 12.611 0.0 0
M  V30 18 C -0.2551 10.0272 0.0 0
M  V30 19 C 5.645 4.1164 0.0 0
M  V30 20 O -2.0184 12.4542 0.0 0
M  V30 21 N 0.0834 13.9813 0.0 0
M  V30 22 O 0.6265 8.8137 0.0 0
M  V30 23 O 7.1368 4.2731 0.0 0
M  V30 24 C 5.0349 2.746 0.0 0 CFG=1
M  V30 25 C -0.7982 15.1949 0.0 0 CFG=1
M  V30 26 C 1.5752 14.1381 0.0 0
M  V30 27 N 5.7849 1.447 0.0 0
M  V30 28 C 3.5677 2.4342 0.0 0
M  V30 29 C -2.29 15.0381 0.0 0
M  V30 30 C -0.1881 16.5652 0.0 0
M  V30 31 C 2.1853 15.5085 0.0 0
M  V30 32 C 7.2767 1.2902 0.0 0
M  V30 33 C 4.7812 0.3323 0.0 0
M  V30 34 C 3.4109 0.9424 0.0 0 CFG=2
M  V30 35 O -2.9001 13.6678 0.0 0
M  V30 36 N -3.1717 16.2516 0.0 0
M  V30 37 C 1.3036 16.722 0.0 0
M  V30 38 C 3.6771 15.6653 0.0 0
M  V30 39 O 8.1584 2.5037 0.0 0
M  V30 40 C 7.8868 -0.08 0.0 0 CFG=1
M  V30 41 O 2.1119 0.1924 0.0 0
M  V30 42 C -2.7081 17.6782 0.0 0 CFG=2
M  V30 43 C -4.6717 16.2516 0.0 0 CFG=2
M  V30 44 C 1.9137 18.0923 0.0 0
M  V30 45 C 4.2872 17.0356 0.0 0
M  V30 46 N 9.354 -0.3919 0.0 0
M  V30 47 C 7.1368 -1.3791 0.0 0
M  V30 48 C -3.9217 18.5599 0.0 0 CFG=2
M  V30 49 C -1.3378 18.2883 0.0 0
M  V30 50 C -5.5533 15.0381 0.0 0
M  V30 51 C -5.1352 17.6782 0.0 0
M  V30 52 C 3.4055 18.2491 0.0 0
M  V30 53 C 10.4687 0.6117 0.0 0
M  V30 54 C 9.5108 -1.8837 0.0 0
M  V30 55 C 8.1405 -2.4938 0.0 0
M  V30 56 C -3.7649 20.0517 0.0 0
M  V30 57 C -1.181 19.7801 0.0 0
M  V30 58 O -4.9432 13.6678 0.0 0
M  V30 59 N -7.0451 15.1949 0.0 0
M  V30 60 O 10.1569 2.0789 0.0 0
M  V30 61 C 11.8953 0.1482 0.0 0 CFG=1
M  V30 62 C -2.3945 20.6618 0.0 0
M  V30 63 C -7.9268 13.9813 0.0 0 CFG=2
M  V30 64 N 13.01 1.1519 0.0 0
M  V30 65 C 12.2072 -1.3189 0.0 0
M  V30 66 C -7.3167 12.611 0.0 0
M  V30 67 C -9.4186 14.1381 0.0 0
M  V30 68 C 12.6982 2.6191 0.0 0
M  V30 69 C 11.0925 -2.3226 0.0 0
M  V30 70 O -8.1984 11.3975 0.0 0
M  V30 71 O -5.8249 12.4542 0.0 0
M  V30 72 C -10.3003 12.9246 0.0 0
M  V30 73 O 11.2716 3.0826 0.0 0
M  V30 74 C 13.8129 3.6228 0.0 0 CFG=2
M  V30 75 C 11.4043 -3.7899 0.0 0
M  V30 76 C -11.792 13.0814 0.0 0
M  V30 77 N 15.2395 3.1593 0.0 0
M  V30 78 C 13.501 5.09 0.0 0
M  V30 79 N 10.2896 -4.7935 0.0 0
M  V30 80 N -12.6737 11.8679 0.0 0
M  V30 81 C 14.6157 6.0937 0.0 0
M  V30 82 C 10.6015 -6.2608 0.0 0
M  V30 83 C -14.1655 12.0247 0.0 0
M  V30 84 C 14.3039 7.5609 0.0 0
M  V30 85 N 9.4868 -7.2645 0.0 0
M  V30 86 N 12.0281 -6.7243 0.0 0
M  V30 87 N -14.7756 13.395 0.0 0
M  V30 88 N -15.0472 10.8112 0.0 0
M  V30 89 N 15.4186 8.5646 0.0 0
M  V30 90 C 15.1067 10.0319 0.0 0
M  V30 91 N 13.6801 10.4954 0.0 0
M  V30 92 N 16.2214 11.0356 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 7 5
M  V30 7 1 7 8 CFG=3
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 2 10 13
M  V30 13 1 10 14
M  V30 14 1 15 12 CFG=1
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 17 21
M  V30 21 1 18 22
M  V30 22 2 19 23
M  V30 23 1 24 19 CFG=1
M  V30 24 1 25 21
M  V30 25 1 21 26
M  V30 26 1 24 27
M  V30 27 1 24 28
M  V30 28 1 25 29 CFG=1
M  V30 29 1 25 30
M  V30 30 1 26 31
M  V30 31 1 27 32
M  V30 32 1 27 33
M  V30 33 1 34 28
M  V30 34 2 29 35
M  V30 35 1 29 36
M  V30 36 1 30 37
M  V30 37 1 31 38
M  V30 38 2 32 39
M  V30 39 1 40 32 CFG=1
M  V30 40 1 34 41 CFG=3
M  V30 41 1 42 36 CFG=3
M  V30 42 1 43 36
M  V30 43 1 37 44
M  V30 44 2 38 45
M  V30 45 1 40 46
M  V30 46 1 40 47
M  V30 47 1 48 42
M  V30 48 1 42 49
M  V30 49 1 43 50 CFG=3
M  V30 50 1 43 51
M  V30 51 2 44 52
M  V30 52 1 46 53
M  V30 53 1 46 54
M  V30 54 1 47 55
M  V30 55 1 48 56 CFG=3
M  V30 56 1 49 57
M  V30 57 2 50 58
M  V30 58 1 50 59
M  V30 59 2 53 60
M  V30 60 1 61 53
M  V30 61 1 56 62
M  V30 62 1 63 59 CFG=3
M  V30 63 1 61 64 CFG=1
M  V30 64 1 61 65
M  V30 65 1 63 66
M  V30 66 1 63 67
M  V30 67 1 64 68
M  V30 68 1 65 69
M  V30 69 2 66 70
M  V30 70 1 66 71
M  V30 71 1 67 72
M  V30 72 2 68 73
M  V30 73 1 74 68
M  V30 74 1 69 75
M  V30 75 1 72 76
M  V30 76 1 74 77 CFG=1
M  V30 77 1 74 78
M  V30 78 1 75 79
M  V30 79 1 76 80
M  V30 80 1 78 81
M  V30 81 2 79 82
M  V30 82 2 80 83
M  V30 83 1 81 84
M  V30 84 1 82 85
M  V30 85 1 82 86
M  V30 86 1 83 87
M  V30 87 1 83 88
M  V30 88 1 84 89
M  V30 89 2 89 90
M  V30 90 1 90 91
M  V30 91 1 90 92
M  V30 92 1 4 6
M  V30 93 2 31 37
M  V30 94 1 33 34
M  V30 95 1 45 52
M  V30 96 1 48 51
M  V30 97 1 54 55
M  V30 98 1 57 62
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(12 7 15 24 25 34 40 42 43 48 61 63 74)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
CID6918173

>  <name>
icatibant

>  <smiles>
C1CC[C@H]2[C@@H](C1)C[C@H](N2C(=O)[C@H]3Cc4ccccc4CN3C(=O)[C@H](CO)NC(=O)[C@H](Cc5cccs5)NC(=O)CNC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H]7CCCN7C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)N)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O

$$$$
CID164522
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 27 29 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 11.2583 2.9999 0.0 0
M  V30 2 C 10.3923 2.4999 0.0 0
M  V30 3 C 9.5262 2.9999 0.0 0
M  V30 4 C 10.3923 1.4999 0.0 0
M  V30 5 C 8.6602 2.4999 0.0 0
M  V30 6 C 9.5262 0.9999 0.0 0
M  V30 7 C 8.6602 1.4999 0.0 0
M  V30 8 C 7.7942 0.9999 0.0 0 CFG=2
M  V30 9 O 6.9282 1.4999 0.0 0
M  V30 10 C 7.7942 0.0 0.0 0
M  V30 11 C 6.0621 0.9999 0.0 0
M  V30 12 N 6.9282 -0.5 0.0 0
M  V30 13 C 8.6602 -0.5 0.0 0
M  V30 14 C 5.1961 1.4999 0.0 0
M  V30 15 C 6.0621 0.0 0.0 0
M  V30 16 C 6.9282 -1.5 0.0 0
M  V30 17 C 8.6602 -1.5 0.0 0
M  V30 18 C 4.3301 0.9999 0.0 0
M  V30 19 C 5.1961 -0.5 0.0 0
M  V30 20 C 7.7942 -2.0 0.0 0
M  V30 21 N 4.3301 0.0 0.0 0
M  V30 22 C 3.4641 -0.5 0.0 0
M  V30 23 C 2.598 0.0 0.0 0
M  V30 24 C 1.732 -0.5 0.0 0
M  V30 25 C 0.866 0.0 0.0 0
M  V30 26 O 0.866 1.0 0.0 0
M  V30 27 O 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 7
M  V30 8 1 8 9 CFG=1
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 2 10 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 1 11 15
M  V30 15 1 12 16
M  V30 16 2 13 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 2 16 20
M  V30 20 1 18 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 23 24
M  V30 24 1 24 25
M  V30 25 2 25 26
M  V30 26 1 25 27
M  V30 27 1 6 7
M  V30 28 1 17 20
M  V30 29 1 19 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
CID164522

>  <name>
bepotastine

>  <smiles>
C1CN(CCC1O[C@@H](c2ccc(cc2)Cl)c3ccccn3)CCCC(=O)O

$$$$
CID41867
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 39 43 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -9.75 0.0 0
M  V30 2 C 1.299 -9.0 0.0 0
M  V30 3 C 1.299 -7.5 0.0 0
M  V30 4 C 0.0 -9.75 0.0 0
M  V30 5 C 2.598 -6.75 0.0 0
M  V30 6 C 0.0 -6.75 0.0 0
M  V30 7 C 0.0 -11.25 0.0 0
M  V30 8 C -1.299 -9.0 0.0 0
M  V30 9 O 3.8971 -7.5 0.0 0
M  V30 10 C 2.598 -5.2499 0.0 0
M  V30 11 C -1.299 -7.5 0.0 0
M  V30 12 C 0.0 -5.2499 0.0 0
M  V30 13 O 1.299 -12.0 0.0 0
M  V30 14 C -1.299 -11.9999 0.0 0
M  V30 15 C -2.598 -9.7499 0.0 0
M  V30 16 C 1.299 -4.5 0.0 0
M  V30 17 C 3.8971 -4.5 0.0 0 CFG=1
M  V30 18 O -2.598 -6.75 0.0 0
M  V30 19 O -1.299 -4.4999 0.0 0
M  V30 20 C 2.598 -11.25 0.0 0
M  V30 21 C -2.598 -11.25 0.0 0
M  V30 22 C 1.299 -2.9999 0.0 0
M  V30 23 O 5.1961 -5.25 0.0 0
M  V30 24 C 3.8971 -2.9999 0.0 0
M  V30 25 C 2.598 -2.25 0.0 0 CFG=1
M  V30 26 C 6.4951 -4.4999 0.0 0 CFG=2
M  V30 27 O 3.8971 -1.5 0.0 0
M  V30 28 C 2.598 -0.75 0.0 0
M  V30 29 O 7.7942 -5.2499 0.0 0
M  V30 30 C 6.4951 -2.9999 0.0 0
M  V30 31 O 3.8971 0.0 0.0 0
M  V30 32 C 1.299 0.0 0.0 0
M  V30 33 C 9.0932 -4.5 0.0 0 CFG=2
M  V30 34 C 7.7942 -2.25 0.0 0 CFG=1
M  V30 35 O 0.0 -0.75 0.0 0
M  V30 36 C 9.0932 -2.9999 0.0 0 CFG=1
M  V30 37 C 10.3923 -5.25 0.0 0
M  V30 38 N 7.7942 -0.75 0.0 0
M  V30 39 O 10.3923 -2.2499 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 2 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 5 10
M  V30 10 1 6 11
M  V30 11 2 6 12
M  V30 12 1 7 13
M  V30 13 1 7 14
M  V30 14 2 8 15
M  V30 15 2 10 16
M  V30 16 1 17 10
M  V30 17 2 11 18
M  V30 18 1 12 19
M  V30 19 1 13 20
M  V30 20 2 14 21
M  V30 21 1 16 22
M  V30 22 1 17 23 CFG=3
M  V30 23 1 17 24
M  V30 24 1 25 22
M  V30 25 1 26 23 CFG=1
M  V30 26 1 25 27 CFG=3
M  V30 27 1 25 28
M  V30 28 1 26 29
M  V30 29 1 26 30
M  V30 30 2 28 31
M  V30 31 1 28 32
M  V30 32 1 33 29
M  V30 33 1 34 30
M  V30 34 1 32 35
M  V30 35 1 36 33
M  V30 36 1 33 37 CFG=3
M  V30 37 1 34 38 CFG=3
M  V30 38 1 36 39 CFG=1
M  V30 39 1 8 11
M  V30 40 1 12 16
M  V30 41 1 15 21
M  V30 42 1 24 25
M  V30 43 1 34 36
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(6 17 25 26 33 34 36)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
CID41867

>  <name>
epirubicin

>  <smiles>
C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5c(C4=O)c(ccc5)OC)O)(C(=O)CO)O)N)O

$$$$
CID21158562
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 8.8075 -8.0455 0.0 0
M  V30 2 C 8.0644 -7.3763 0.0 0
M  V30 3 O 7.1133 -7.6854 0.0 0
M  V30 4 C 8.2723 -6.3982 0.0 0
M  V30 5 C 7.5291 -5.7291 0.0 0
M  V30 6 C 7.737 -4.7509 0.0 0
M  V30 7 C 6.9939 -4.0818 0.0 0
M  V30 8 C 7.2018 -3.1036 0.0 0
M  V30 9 O 8.1154 -2.6969 0.0 0
M  V30 10 C 6.5327 -2.3605 0.0 0
M  V30 11 C 8.0108 -1.7024 0.0 0 CFG=2
M  V30 12 C 7.0327 -1.4945 0.0 0 CFG=1
M  V30 13 C 8.5108 -0.8364 0.0 0
M  V30 14 C 6.9282 -0.5 0.0 0 CFG=2
M  V30 15 C 7.8417 -0.0932 0.0 0 CFG=2
M  V30 16 C 6.0621 0.0 0.0 0
M  V30 17 O 8.0496 0.8848 0.0 0
M  V30 18 C 5.1961 -0.5 0.0 0
M  V30 19 C 4.3301 0.0 0.0 0 CFG=1
M  V30 20 O 4.3301 1.0 0.0 0
M  V30 21 C 3.4641 -0.5 0.0 0
M  V30 22 C 2.598 0.0 0.0 0
M  V30 23 C 1.732 -0.5 0.0 0
M  V30 24 C 0.866 0.0 0.0 0
M  V30 25 C 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 4 5
M  V30 5 1 5 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 11 9 CFG=3
M  V30 11 1 12 10 CFG=3
M  V30 12 1 11 13
M  V30 13 1 14 12
M  V30 14 1 15 13
M  V30 15 1 14 16 CFG=1
M  V30 16 1 15 17 CFG=3
M  V30 17 2 16 18
M  V30 18 1 19 18
M  V30 19 1 19 20 CFG=3
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 23 24
M  V30 24 1 24 25
M  V30 25 1 11 12
M  V30 26 1 14 15
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(5 11 12 14 15 19)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
CID21158562

>  <name>
epoprostenol

>  <smiles>
CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/O2)O)O

$$$$
CID71306
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 80 86 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 7.8158 2.2562 0.0 0
M  V30 2 S 9.0932 1.5187 0.0 0
M  V30 3 C 6.5132 1.5041 0.0 0
M  V30 4 C 10.4973 2.3388 0.0 0
M  V30 5 C 6.5132 0.0 0.0 0
M  V30 6 C 12.0043 1.4486 0.0 0
M  V30 7 N 5.2105 -0.752 0.0 0
M  V30 8 C 7.8158 -0.752 0.0 0
M  V30 9 N 12.9243 2.2947 0.0 0
M  V30 10 C 11.999 0.2496 0.0 0
M  V30 11 C 3.9079 0.0 0.0 0
M  V30 12 O 9.0525 -0.0865 0.0 0
M  V30 13 N 7.8158 -2.2562 0.0 0
M  V30 14 C 14.4104 1.6836 0.0 0
M  V30 15 O 10.3916 -0.8807 0.0 0
M  V30 16 N 13.3995 -0.7054 0.0 0
M  V30 17 O 3.9079 1.5041 0.0 0
M  V30 18 C 2.6052 -0.752 0.0 0
M  V30 19 C 9.1185 -3.0083 0.0 0
M  V30 20 O 14.0603 0.2399 0.0 0
M  V30 21 C 15.6317 2.2562 0.0 0
M  V30 22 C 13.0474 -2.1291 0.0 0
M  V30 23 N 2.6052 -2.2562 0.0 0
M  V30 24 C 1.3026 0.0 0.0 0
M  V30 25 C 10.2775 -2.5658 0.0 0
M  V30 26 C 9.1185 -4.5124 0.0 0
M  V30 27 N 16.9343 1.5041 0.0 0
M  V30 28 C 15.6317 3.7604 0.0 0
M  V30 29 C 11.7371 -2.7901 0.0 0
M  V30 30 C 14.0149 -3.0709 0.0 0
M  V30 31 C 0.0 -0.752 0.0 0
M  V30 32 O 10.4457 -0.839 0.0 0
M  V30 33 N 11.9694 -3.226 0.0 0
M  V30 34 C 7.8158 -5.2645 0.0 0
M  V30 35 C 16.9343 0.0 0.0 0
M  V30 36 C 16.9343 4.5124 0.0 0
M  V30 37 C 14.329 4.5124 0.0 0
M  V30 38 O 11.7237 -4.5124 0.0 0
M  V30 39 N 10.1632 -2.0599 0.0 0
M  V30 40 C 14.107 -4.6053 0.0 0
M  V30 41 C -1.3026 0.0 0.0 0
M  V30 42 C 0.0 -2.2562 0.0 0
M  V30 43 C 12.9829 -2.5323 0.0 0
M  V30 44 C 7.8158 -6.7687 0.0 0
M  V30 45 C 6.5132 -4.5124 0.0 0
M  V30 46 O 18.237 -0.752 0.0 0
M  V30 47 C 15.6317 -0.752 0.0 0
M  V30 48 C 15.5459 -5.3966 0.0 0
M  V30 49 C 13.1121 -5.3966 0.0 0
M  V30 50 C -2.6052 -0.752 0.0 0
M  V30 51 C -1.3026 -3.0083 0.0 0
M  V30 52 C 14.5408 -2.9661 0.0 0
M  V30 53 C 12.8744 -0.8587 0.0 0
M  V30 54 C 6.5132 -7.5208 0.0 0
M  V30 55 C 5.2105 -5.2645 0.0 0
M  V30 56 N 15.6317 -2.2562 0.0 0
M  V30 57 C 14.4752 -0.1304 0.0 0
M  V30 58 C 15.0811 -6.8271 0.0 0
M  V30 59 C 17.0172 -5.0838 0.0 0
M  V30 60 N 13.577 -6.8271 0.0 0
M  V30 61 C -2.6052 -2.2562 0.0 0
M  V30 62 O 14.5789 -4.4079 0.0 0
M  V30 63 C 11.6975 -0.1814 0.0 0
M  V30 64 C 5.2105 -6.7687 0.0 0
M  V30 65 C 14.2862 1.1356 0.0 0
M  V30 66 C 16.0876 -7.9449 0.0 0
M  V30 67 C 18.0237 -6.2016 0.0 0
M  V30 68 C 11.4149 1.4252 0.0 0
M  V30 69 C 10.2309 -0.3901 0.0 0
M  V30 70 O 3.9079 -7.5208 0.0 0
M  V30 71 C 13.1404 2.0853 0.0 0
M  V30 72 C 17.5589 -7.6322 0.0 0
M  V30 73 C 10.1448 1.684 0.0 0
M  V30 74 C 12.4953 2.6604 0.0 0
M  V30 75 N 9.3634 0.5473 0.0 0
M  V30 76 C 13.0264 3.7604 0.0 0
M  V30 77 C 9.6304 3.2392 0.0 0
M  V30 78 C 11.9754 3.8452 0.0 0
M  V30 79 N 11.72 4.6322 0.0 0
M  V30 80 C 10.6369 4.357 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 8 13
M  V30 13 1 9 14
M  V30 14 2 10 15
M  V30 15 1 10 16
M  V30 16 2 11 17
M  V30 17 1 11 18
M  V30 18 1 13 19
M  V30 19 2 14 20
M  V30 20 1 14 21
M  V30 21 1 16 22
M  V30 22 1 18 23
M  V30 23 1 18 24
M  V30 24 1 19 25
M  V30 25 1 19 26
M  V30 26 1 21 27
M  V30 27 1 21 28
M  V30 28 1 22 29
M  V30 29 1 22 30
M  V30 30 1 24 31
M  V30 31 2 25 32
M  V30 32 1 25 33
M  V30 33 1 26 34
M  V30 34 1 27 35
M  V30 35 1 28 36
M  V30 36 1 28 37
M  V30 37 2 29 38
M  V30 38 1 29 39
M  V30 39 1 30 40
M  V30 40 2 31 41
M  V30 41 1 31 42
M  V30 42 1 33 43
M  V30 43 2 34 44
M  V30 44 1 34 45
M  V30 45 2 35 46
M  V30 46 1 35 47
M  V30 47 1 40 48
M  V30 48 2 40 49
M  V30 49 1 41 50
M  V30 50 2 42 51
M  V30 51 1 43 52
M  V30 52 1 43 53
M  V30 53 1 44 54
M  V30 54 2 45 55
M  V30 55 1 47 56
M  V30 56 1 47 57
M  V30 57 2 48 58
M  V30 58 1 48 59
M  V30 59 1 49 60
M  V30 60 2 50 61
M  V30 61 2 52 62
M  V30 62 1 53 63
M  V30 63 2 54 64
M  V30 64 1 57 65
M  V30 65 1 58 66
M  V30 66 2 59 67
M  V30 67 1 63 68
M  V30 68 2 63 69
M  V30 69 1 64 70
M  V30 70 1 65 71
M  V30 71 2 66 72
M  V30 72 2 68 73
M  V30 73 1 68 74
M  V30 74 1 69 75
M  V30 75 1 71 76
M  V30 76 1 73 77
M  V30 77 2 74 78
M  V30 78 1 76 79
M  V30 79 2 77 80
M  V30 80 1 51 61
M  V30 81 1 52 56
M  V30 82 1 55 64
M  V30 83 1 58 60
M  V30 84 1 67 72
M  V30 85 1 73 75
M  V30 86 1 78 80
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
CID71306

>  <name>
vapreotide

>  <smiles>
CC(C)C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)Cc2c[nH]c3ccccc23)Cc4ccc(cc4)O)NC(=O)C(Cc5ccccc5)N)C(=O)NC(Cc6c[nH]c7ccccc67)C(=O)N

$$$$
CID135413536
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 37 40 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.4641 -4.4999 0.0 0
M  V30 2 C 3.4641 -3.5 0.0 0
M  V30 3 C 4.3301 -3.0 0.0 0
M  V30 4 C 2.598 -2.9999 0.0 0
M  V30 5 C 4.3301 -2.0 0.0 0
M  V30 6 C 2.598 -1.9999 0.0 0
M  V30 7 C 3.4641 -1.5 0.0 0
M  V30 8 C 3.4641 -0.4999 0.0 0 CFG=2
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 2.598 0.0 0.0 0 CFG=2
M  V30 11 C 4.3301 1.0 0.0 0
M  V30 12 C 5.1961 -0.5 0.0 0
M  V30 13 O 2.598 1.0 0.0 0
M  V30 14 O 1.732 -0.5 0.0 0
M  V30 15 C 3.4641 1.5 0.0 0
M  V30 16 C 6.0621 0.0 0.0 0
M  V30 17 C 0.866 0.0 0.0 0 CFG=1
M  V30 18 N 6.9757 -0.4067 0.0 0
M  V30 19 N 6.1667 0.9945 0.0 0
M  V30 20 C 0.0 -0.4999 0.0 0
M  V30 21 C 0.866 1.0 0.0 0
M  V30 22 N 7.6448 0.3364 0.0 0
M  V30 23 C 7.1448 1.2024 0.0 0
M  V30 24 C 0.0 -1.4999 0.0 0
M  V30 25 C -0.866 0.0 0.0 0
M  V30 26 O 7.5515 2.1159 0.0 0
M  V30 27 C -0.866 -1.9999 0.0 0
M  V30 28 C -1.732 -0.4999 0.0 0
M  V30 29 C -1.732 -1.4999 0.0 0
M  V30 30 C -0.866 -3.0 0.0 0
M  V30 31 C -2.598 0.0 0.0 0
M  V30 32 F -1.866 -2.9999 0.0 0
M  V30 33 F -0.866 -4.0 0.0 0
M  V30 34 F 0.1339 -3.0 0.0 0
M  V30 35 F -2.098 0.866 0.0 0
M  V30 36 F -3.4641 0.5 0.0 0
M  V30 37 F -3.098 -0.866 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 7 CFG=1
M  V30 8 1 8 9
M  V30 9 1 10 8
M  V30 10 1 9 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 10 14 CFG=1
M  V30 14 1 11 15
M  V30 15 1 12 16
M  V30 16 1 17 14 CFG=1
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 17 21
M  V30 21 1 18 22
M  V30 22 1 19 23
M  V30 23 2 20 24
M  V30 24 1 20 25
M  V30 25 2 23 26
M  V30 26 1 24 27
M  V30 27 2 25 28
M  V30 28 2 27 29
M  V30 29 1 27 30
M  V30 30 1 28 31
M  V30 31 1 30 32
M  V30 32 1 30 33
M  V30 33 1 30 34
M  V30 34 1 31 35
M  V30 35 1 31 36
M  V30 36 1 31 37
M  V30 37 1 6 7
M  V30 38 1 13 15
M  V30 39 1 22 23
M  V30 40 1 28 29
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(3 8 10 17)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
CID135413536

>  <name>
aprepitant

>  <smiles>
C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)Cc3n[nH]c(=O)[nH]3)c4ccc(cc4)F

$$$$
CID2826718
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 77 80 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 22.3651 1.2961 0.0 0
M  V30 2 C 23.5938 0.6171 0.0 0
M  V30 3 N 25.009 1.2812 0.0 0
M  V30 4 C 23.6438 -0.799 0.0 0 CFG=1
M  V30 5 C 26.0447 0.4557 0.0 0 CFG=2
M  V30 6 C 25.4529 2.7021 0.0 0
M  V30 7 N 23.0016 -1.8172 0.0 0
M  V30 8 C 25.1972 -0.8497 0.0 0 CFG=2
M  V30 9 C 25.8195 -1.114 0.0 0
M  V30 10 C 27.372 1.2028 0.0 0 CFG=2
M  V30 11 C 26.9571 2.6496 0.0 0
M  V30 12 C 21.4334 -2.1953 0.0 0
M  V30 13 O 25.8194 -2.4001 0.0 0
M  V30 14 C 26.4971 0.0122 0.0 0
M  V30 15 O 26.6768 -2.2386 0.0 0
M  V30 16 N 24.2974 -1.344 0.0 0
M  V30 17 O 28.7863 0.688 0.0 0
M  V30 18 O 20.5267 -1.1024 0.0 0
M  V30 19 C 21.1421 -3.5709 0.0 0 CFG=1
M  V30 20 C 27.7937 -0.1276 0.0 0
M  V30 21 C 23.5055 0.0073 0.0 0 CFG=2
M  V30 22 N 22.3281 -4.4975 0.0 0
M  V30 23 C 19.7106 -4.036 0.0 0 CFG=2
M  V30 24 N 28.2841 -1.5506 0.0 0
M  V30 25 N 24.3304 1.3441 0.0 0
M  V30 26 C 22.0728 0.256 0.0 0 CFG=2
M  V30 27 C 23.6316 -3.7449 0.0 0
M  V30 28 O 18.5921 -3.0288 0.0 0
M  V30 29 C 19.3977 -5.5082 0.0 0 CFG=1
M  V30 30 C 23.7292 2.7067 0.0 0
M  V30 31 O 21.7463 1.8527 0.0 0
M  V30 32 C 20.8549 -0.7443 0.0 0
M  V30 33 O 24.9844 -4.4047 0.0 0
M  V30 34 C 23.4727 -2.307 0.0 0 CFG=1
M  V30 35 O 17.9662 -5.9733 0.0 0
M  V30 36 C 20.5162 -6.5153 0.0 0
M  V30 37 C 24.663 3.8963 0.0 0
M  V30 38 C 19.5315 0.0413 0.0 0 CFG=2
M  V30 39 N 21.9802 -1.7726 0.0 0
M  V30 40 C 24.2972 -0.9689 0.0 0
M  V30 41 C 20.2033 -7.9876 0.0 0
M  V30 42 C 21.9477 -6.0502 0.0 0
M  V30 43 N 24.0508 5.2713 0.0 0
M  V30 44 N 18.2487 -0.7525 0.0 0
M  V30 45 C 19.6572 1.5014 0.0 0
M  V30 46 C 21.3931 -0.5682 0.0 0
M  V30 47 C 21.9784 -0.4206 0.0 0
M  V30 48 C 23.1328 0.2827 0.0 0 CFG=2
M  V30 49 C 21.3218 -8.9947 0.0 0
M  V30 50 C 23.0662 -7.0574 0.0 0
M  V30 51 C 16.9452 0.0 0.0 0
M  V30 52 O 18.4711 2.4281 0.0 0
M  V30 53 N 21.0467 1.9738 0.0 0
M  V30 54 O 19.8478 -0.5901 0.0 0
M  V30 55 C 22.1231 0.8598 0.0 0 CFG=1
M  V30 56 O 23.5452 1.6768 0.0 0
M  V30 57 C 22.7533 -8.5296 0.0 0
M  V30 58 O 16.9452 1.5051 0.0 0
M  V30 59 C 15.6417 -0.7525 0.0 0
M  V30 60 C 23.5677 1.0515 0.0 0 CFG=2
M  V30 61 O 23.8718 -9.5367 0.0 0
M  V30 62 C 14.3383 0.0 0.0 0
M  V30 63 O 24.4659 -0.213 0.0 0
M  V30 64 C 24.3332 2.3607 0.0 0
M  V30 65 C 13.0348 -0.7525 0.0 0
M  V30 66 C 11.7313 0.0 0.0 0
M  V30 67 C 10.4278 -0.7525 0.0 0
M  V30 68 C 9.1243 0.0 0.0 0
M  V30 69 C 7.8208 -0.7525 0.0 0
M  V30 70 C 6.5174 0.0 0.0 0
M  V30 71 C 5.2139 -0.7525 0.0 0
M  V30 72 C 3.9104 0.0 0.0 0
M  V30 73 C 5.2139 -2.2576 0.0 0
M  V30 74 C 2.6069 -0.7525 0.0 0
M  V30 75 C 1.3034 0.0 0.0 0
M  V30 76 C 2.6069 -2.2576 0.0 0
M  V30 77 C 0.0 -0.7525 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 4 2
M  V30 4 1 5 3 CFG=1
M  V30 5 1 3 6
M  V30 6 1 4 7 CFG=3
M  V30 7 1 8 4
M  V30 8 1 5 9
M  V30 9 1 10 5
M  V30 10 1 6 11
M  V30 11 1 7 12
M  V30 12 1 8 13 CFG=1
M  V30 13 1 8 14
M  V30 14 2 9 15
M  V30 15 1 9 16
M  V30 16 1 10 17 CFG=3
M  V30 17 2 12 18
M  V30 18 1 19 12
M  V30 19 1 14 20
M  V30 20 1 21 16
M  V30 21 1 19 22 CFG=1
M  V30 22 1 23 19
M  V30 23 1 20 24
M  V30 24 1 21 25 CFG=1
M  V30 25 1 26 21
M  V30 26 1 22 27
M  V30 27 1 23 28 CFG=1
M  V30 28 1 29 23
M  V30 29 1 25 30
M  V30 30 1 26 31 CFG=1
M  V30 31 1 26 32
M  V30 32 2 27 33
M  V30 33 1 34 27
M  V30 34 1 29 35 CFG=3
M  V30 35 1 29 36
M  V30 36 1 30 37
M  V30 37 1 38 32
M  V30 38 1 34 39 CFG=1
M  V30 39 1 34 40
M  V30 40 2 36 41
M  V30 41 1 36 42
M  V30 42 1 37 43
M  V30 43 1 38 44 CFG=3
M  V30 44 1 38 45
M  V30 45 1 39 46
M  V30 46 1 39 47
M  V30 47 1 48 40
M  V30 48 1 41 49
M  V30 49 2 42 50
M  V30 50 1 44 51
M  V30 51 2 45 52
M  V30 52 1 45 53
M  V30 53 2 46 54
M  V30 54 1 55 46
M  V30 55 1 48 56 CFG=3
M  V30 56 2 49 57
M  V30 57 2 51 58
M  V30 58 1 51 59
M  V30 59 1 60 55
M  V30 60 1 57 61
M  V30 61 1 59 62
M  V30 62 1 60 63 CFG=1
M  V30 63 1 60 64
M  V30 64 1 62 65
M  V30 65 1 65 66
M  V30 66 1 66 67
M  V30 67 1 67 68
M  V30 68 1 68 69
M  V30 69 1 69 70
M  V30 70 1 70 71
M  V30 71 1 71 72
M  V30 72 1 71 73
M  V30 73 1 72 74
M  V30 74 1 74 75
M  V30 75 1 74 76
M  V30 76 1 75 77
M  V30 77 1 10 11
M  V30 78 1 47 48
M  V30 79 1 50 57
M  V30 80 1 55 53 CFG=1
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(14 4 5 8 10 19 21 23 26 29 34 38 48 55 60)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
CID2826718

>  <name>
caspofungin

>  <smiles>
CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](c4ccc(cc4)O)O)O)[C@@H](CCN)O)O)NCCN)O

$$$$
CID 4748
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 27 30 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 5.1961 2.4999 0.0 0
M  V30 2 C 5.1961 1.4999 0.0 0
M  V30 3 C 4.3301 1.0 0.0 0
M  V30 4 C 6.0621 0.9999 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 N 3.4641 -0.5 0.0 0
M  V30 8 C 5.1961 -0.5 0.0 0
M  V30 9 C 3.4641 -1.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 S 5.1961 -1.5 0.0 0
M  V30 12 C 4.3301 -2.0 0.0 0
M  V30 13 C 2.598 -1.9999 0.0 0
M  V30 14 C 1.732 -0.5 0.0 0
M  V30 15 C 4.3301 -3.0 0.0 0
M  V30 16 C 2.598 -3.0 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 C 3.4641 -3.4999 0.0 0
M  V30 19 N 0.0 -0.5 0.0 0
M  V30 20 C -0.866 0.0 0.0 0
M  V30 21 C 0.0 -1.4999 0.0 0
M  V30 22 C -1.732 -0.4999 0.0 0
M  V30 23 C -0.866 -1.9999 0.0 0
M  V30 24 N -1.732 -1.4999 0.0 0
M  V30 25 C -2.598 -1.9999 0.0 0
M  V30 26 C -3.4641 -1.4999 0.0 0
M  V30 27 O -4.3301 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 7 10
M  V30 10 1 8 11
M  V30 11 2 9 12
M  V30 12 1 9 13
M  V30 13 1 10 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 24 25
M  V30 25 1 25 26
M  V30 26 1 26 27
M  V30 27 1 6 8
M  V30 28 1 11 12
M  V30 29 1 16 18
M  V30 30 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
CID 4748

>  <name>
perphenazine

>  <smiles>
C1CN(CCN1CCCN2c3ccccc3Sc4c2cc(cc4)Cl)CCO

$$$$
CID53380437
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 40 45 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.8971 1.5 0.0 0
M  V30 2 C 3.8971 0.0 0.0 0
M  V30 3 C 2.598 -0.75 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 C 1.299 0.0 0.0 0
M  V30 6 C 2.598 -2.25 0.0 0
M  V30 7 N 5.1961 -2.2499 0.0 0
M  V30 8 C 6.4951 0.0 0.0 0
M  V30 9 O 1.299 1.5 0.0 0
M  V30 10 N 0.0 -0.75 0.0 0
M  V30 11 C 3.8971 -2.9999 0.0 0
M  V30 12 F 5.7451 1.299 0.0 0
M  V30 13 F 7.7942 0.75 0.0 0
M  V30 14 F 7.2451 -1.299 0.0 0
M  V30 15 C -1.299 0.0 0.0 0
M  V30 16 C 0.0 -2.2499 0.0 0
M  V30 17 C -2.598 -0.7499 0.0 0
M  V30 18 C -1.299 -2.9999 0.0 0
M  V30 19 C -2.598 -2.2499 0.0 0
M  V30 20 N -3.8971 -2.9999 0.0 0
M  V30 21 C -5.346 -2.6117 0.0 0
M  V30 22 C -4.2853 -4.4488 0.0 0
M  V30 23 C -5.7342 -4.0606 0.0 0
M  V30 24 N -7.0332 -4.8106 0.0 0
M  V30 25 C -5.5384 -5.5478 0.0 0
M  V30 26 N -8.4035 -4.2005 0.0 0
M  V30 27 C -7.19 -6.3024 0.0 0
M  V30 28 C -4.1526 -6.1218 0.0 0
M  V30 29 C -9.4072 -5.3152 0.0 0
M  V30 30 C -8.6572 -6.6143 0.0 0
M  V30 31 N -2.7668 -6.6958 0.0 0
M  V30 32 C -9.2673 -7.9846 0.0 0
M  V30 33 N -10.7591 -8.1414 0.0 0
M  V30 34 C -8.3857 -9.1981 0.0 0
M  V30 35 C -11.3692 -9.5117 0.0 0
M  V30 36 C -8.9958 -10.5684 0.0 0
M  V30 37 C -6.8939 -9.3549 0.0 0
M  V30 38 N -10.4875 -10.7252 0.0 0
M  V30 39 N -7.881 -11.5721 0.0 0
M  V30 40 C -6.582 -10.8221 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 4 8
M  V30 8 2 5 9
M  V30 9 1 5 10
M  V30 10 2 6 11
M  V30 11 1 8 12
M  V30 12 1 8 13
M  V30 13 1 8 14
M  V30 14 1 10 15
M  V30 15 1 10 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 23 24
M  V30 24 1 23 25
M  V30 25 1 24 26
M  V30 26 1 24 27
M  V30 27 1 25 28
M  V30 28 2 26 29
M  V30 29 2 27 30
M  V30 30 3 28 31
M  V30 31 1 30 32
M  V30 32 2 32 33
M  V30 33 1 32 34
M  V30 34 1 33 35
M  V30 35 2 34 36
M  V30 36 1 34 37
M  V30 37 2 35 38
M  V30 38 1 36 39
M  V30 39 2 37 40
M  V30 40 1 7 11
M  V30 41 1 18 19
M  V30 42 1 22 23
M  V30 43 1 29 30
M  V30 44 1 36 38
M  V30 45 1 39 40
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
CID53380437

>  <name>
itacitinib

>  <smiles>
C1CN(CCC1N2CC(C2)(CC#N)n3cc(cn3)-c4c5cc[nH]c5ncn4)C(=O)c6c(c(ncc6)C(F)(F)F)F

$$$$
CID3047798
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 34 36 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 12.9903 3.75 0.0 0
M  V30 2 C 12.9903 2.25 0.0 0
M  V30 3 C 11.6913 1.5 0.0 0
M  V30 4 C 14.2894 1.5 0.0 0
M  V30 5 C 11.6913 0.0 0.0 0
M  V30 6 C 14.2894 0.0 0.0 0
M  V30 7 O 10.3923 -0.75 0.0 0
M  V30 8 C 12.9903 -0.75 0.0 0
M  V30 9 C 9.0932 0.0 0.0 0
M  V30 10 C 12.9903 -2.25 0.0 0
M  V30 11 C 7.7942 -0.75 0.0 0
M  V30 12 N 12.9903 -3.75 0.0 0
M  V30 13 O 7.7942 -2.25 0.0 0
M  V30 14 C 6.4951 0.0 0.0 0
M  V30 15 N 5.1961 -0.75 0.0 0
M  V30 16 C 3.8971 0.0 0.0 0
M  V30 17 C 2.598 -0.75 0.0 0
M  V30 18 C 4.6471 1.299 0.0 0
M  V30 19 C 3.1471 1.299 0.0 0
M  V30 20 N 1.299 0.0 0.0 0
M  V30 21 C 0.0 -0.75 0.0 0
M  V30 22 C -1.299 0.0 0.0 0
M  V30 23 C 0.0 -2.25 0.0 0
M  V30 24 C -2.598 -0.75 0.0 0
M  V30 25 C -1.299 -3.0 0.0 0
M  V30 26 C -2.598 -2.25 0.0 0
M  V30 27 C -3.8971 -3.0 0.0 0
M  V30 28 N -5.1961 -2.25 0.0 0
M  V30 29 C -3.8971 -4.5 0.0 0
M  V30 30 N -6.4951 -3.0 0.0 0
M  V30 31 C -5.1961 -5.25 0.0 0
M  V30 32 C -2.598 -5.25 0.0 0
M  V30 33 C -6.4951 -4.5 0.0 0
M  V30 34 O -7.7942 -5.25 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 3 10 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 20 21
M  V30 21 2 21 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 2 23 25
M  V30 25 2 24 26
M  V30 26 1 26 27
M  V30 27 2 27 28
M  V30 28 1 27 29
M  V30 29 1 28 30
M  V30 30 1 29 31
M  V30 31 1 29 32
M  V30 32 1 30 33
M  V30 33 2 33 34
M  V30 34 1 6 8
M  V30 35 1 25 26
M  V30 36 1 31 33
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
CID3047798

>  <name>
oberadilol

>  <smiles>
CC1CC(=O)NN=C1c2ccc(cc2)NCC(C)(C)NCC(COc3c(ccc(c3)Cl)C#N)O

$$$$
CID 11319053
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 40 44 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 5.8718 -0.9901 0.0 0
M  V30 2 C 6.3057 -0.0891 0.0 0
M  V30 3 C 7.3029 -0.0144 0.0 0
M  V30 4 C 5.7424 0.737 0.0 0
M  V30 5 F 7.8662 -0.8407 0.0 0
M  V30 6 C 7.7368 0.8864 0.0 0
M  V30 7 C 6.1763 1.638 0.0 0
M  V30 8 C 4.7452 0.6623 0.0 0 CFG=1
M  V30 9 C 7.1735 1.7127 0.0 0
M  V30 10 C 4.2452 1.5283 0.0 0
M  V30 11 C 4.3798 -0.2685 0.0 0
M  V30 12 N 3.2563 1.6773 0.0 0
M  V30 13 C 3.4243 -0.5633 0.0 0
M  V30 14 C 2.5233 0.9972 0.0 0
M  V30 15 C 2.9616 2.6329 0.0 0
M  V30 16 C 2.598 0.0 0.0 0 CFG=2
M  V30 17 O 1.5924 1.3625 0.0 0
M  V30 18 C 3.6418 3.366 0.0 0
M  V30 19 N 1.732 -0.5 0.0 0
M  V30 20 F 4.3748 2.6858 0.0 0
M  V30 21 F 4.3219 4.099 0.0 0
M  V30 22 F 2.9087 4.0461 0.0 0
M  V30 23 C 0.866 0.0 0.0 0
M  V30 24 O 0.866 1.0 0.0 0
M  V30 25 N 0.0 -0.5 0.0 0
M  V30 26 C -0.866 0.0 0.0 0
M  V30 27 C 0.0 -1.4999 0.0 0
M  V30 28 C -1.732 -0.4999 0.0 0
M  V30 29 C -0.866 -1.9999 0.0 0
M  V30 30 C -1.732 -1.4999 0.0 0
M  V30 31 N -2.598 -1.9999 0.0 0
M  V30 32 C -3.5116 -1.5932 0.0 0
M  V30 33 C -2.7026 -2.9945 0.0 0
M  V30 34 O -3.7195 -0.6151 0.0 0
M  V30 35 N -4.1807 -2.3364 0.0 0
M  V30 36 C -3.6807 -3.2024 0.0 0
M  V30 37 C -2.0334 -3.7376 0.0 0
M  V30 38 N -3.9897 -4.1534 0.0 0
M  V30 39 C -2.3424 -4.6887 0.0 0
M  V30 40 C -3.3206 -4.8966 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 8 4 CFG=3
M  V30 8 2 6 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 1 16 13
M  V30 16 2 14 17
M  V30 17 1 15 18
M  V30 18 1 16 19 CFG=1
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 1 18 22
M  V30 22 1 19 23
M  V30 23 2 23 24
M  V30 24 1 23 25
M  V30 25 1 25 26
M  V30 26 1 25 27
M  V30 27 1 26 28
M  V30 28 1 27 29
M  V30 29 1 28 30
M  V30 30 1 30 31
M  V30 31 1 31 32
M  V30 32 1 31 33
M  V30 33 2 32 34
M  V30 34 1 32 35
M  V30 35 2 33 36
M  V30 36 1 33 37
M  V30 37 1 36 38
M  V30 38 2 37 39
M  V30 39 2 38 40
M  V30 40 1 7 9
M  V30 41 1 14 16
M  V30 42 1 29 30
M  V30 43 1 35 36
M  V30 44 1 39 40
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(2 8 16)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
CID 11319053

>  <name>
telcagepant

>  <smiles>
C1C[C@H](C(=O)N(C[C@@H]1c2c(c(ccc2)F)F)CC(F)(F)F)NC(=O)N3CCC(CC3)n4c5c([nH]c4=O)nccc5

$$$$
CID42641863
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 40 43 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 2.598 2.25 0.0 0
M  V30 2 C 3.8971 1.5 0.0 0
M  V30 3 C 3.8971 0.0 0.0 0
M  V30 4 C 5.1961 2.25 0.0 0
M  V30 5 S 2.598 -0.75 0.0 0
M  V30 6 C 5.1961 -0.75 0.0 0
M  V30 7 C 6.4951 1.5 0.0 0
M  V30 8 O 1.848 -2.049 0.0 0
M  V30 9 O 3.348 -2.049 0.0 0
M  V30 10 N 1.299 0.0 0.0 0
M  V30 11 C 6.4951 0.0 0.0 0
M  V30 12 C 7.7942 2.25 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 C 9.2942 2.25 0.0 0
M  V30 15 C 8.5442 3.549 0.0 0
M  V30 16 C -1.299 0.0 0.0 0
M  V30 17 C 0.0 -2.25 0.0 0
M  V30 18 O -1.299 1.5 0.0 0
M  V30 19 C -2.598 -0.75 0.0 0
M  V30 20 C -1.299 -3.0 0.0 0
M  V30 21 C -2.598 2.25 0.0 0
M  V30 22 C -2.598 -2.25 0.0 0
M  V30 23 C -1.299 -4.5 0.0 0
M  V30 24 C -2.598 3.75 0.0 0
M  V30 25 C -3.8971 1.5 0.0 0
M  V30 26 O 0.0 -5.25 0.0 0
M  V30 27 N -2.598 -5.25 0.0 0
M  V30 28 Cl -1.299 4.5 0.0 0
M  V30 29 C -3.8971 4.5 0.0 0
M  V30 30 C -5.1961 2.25 0.0 0
M  V30 31 C -2.598 -6.75 0.0 0
M  V30 32 C -5.1961 3.75 0.0 0
M  V30 33 F -6.4951 1.5 0.0 0
M  V30 34 C -1.098 -6.75 0.0 0
M  V30 35 C -2.598 -8.25 0.0 0
M  V30 36 C -4.098 -6.75 0.0 0
M  V30 37 C -6.4951 4.5 0.0 0
M  V30 38 C -6.4951 6.0 0.0 0
M  V30 39 O -5.1961 6.75 0.0 0
M  V30 40 O -7.7942 6.75 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 2 5 9
M  V30 9 1 5 10
M  V30 10 2 6 11
M  V30 11 1 7 12
M  V30 12 1 10 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 1 20 23
M  V30 23 2 21 24
M  V30 24 1 21 25
M  V30 25 2 23 26
M  V30 26 1 23 27
M  V30 27 1 24 28
M  V30 28 1 24 29
M  V30 29 2 25 30
M  V30 30 1 27 31
M  V30 31 2 29 32
M  V30 32 1 30 33
M  V30 33 1 31 34
M  V30 34 1 31 35
M  V30 35 1 31 36
M  V30 36 1 32 37
M  V30 37 1 37 38
M  V30 38 2 38 39
M  V30 39 1 38 40
M  V30 40 1 7 11
M  V30 41 1 14 15
M  V30 42 1 20 22
M  V30 43 1 30 32
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
CID42641863

>  <name>
vidupiprant

>  <smiles>
CC(C)(C)NC(=O)c1cc(c(cc1)Oc2c(cc(c(c2)F)CC(=O)O)Cl)NS(=O)(=O)c3c(cc(cc3)C4CC4)Cl

$$$$
CID56599306
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 37 40 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 5.1961 -5.25 0.0 0
M  V30 2 C 6.4951 -4.5 0.0 0
M  V30 3 C 6.4951 -3.0 0.0 0
M  V30 4 C 7.7942 -5.25 0.0 0
M  V30 5 N 5.1961 -2.25 0.0 0
M  V30 6 C 7.7942 -2.25 0.0 0
M  V30 7 C 9.0932 -4.5 0.0 0
M  V30 8 C 5.1961 -0.75 0.0 0
M  V30 9 C 9.0932 -3.0 0.0 0
M  V30 10 N 6.4951 0.0 0.0 0
M  V30 11 C 3.8971 0.0 0.0 0
M  V30 12 O 10.3923 -2.25 0.0 0
M  V30 13 C 6.4951 1.5 0.0 0
M  V30 14 N 3.8971 1.5 0.0 0
M  V30 15 N 2.598 -0.75 0.0 0
M  V30 16 C 11.6913 -3.0 0.0 0
M  V30 17 C 5.1961 2.25 0.0 0
M  V30 18 C 7.7942 2.25 0.0 0
M  V30 19 S 1.299 0.0 0.0 0
M  V30 20 C 5.1961 3.75 0.0 0
M  V30 21 C 7.7942 3.75 0.0 0
M  V30 22 O 2.049 1.299 0.0 0
M  V30 23 O 0.549 1.299 0.0 0
M  V30 24 C 0.0 -0.75 0.0 0
M  V30 25 C 6.4951 4.5 0.0 0
M  V30 26 C 0.0 -2.25 0.0 0
M  V30 27 C -1.299 0.0 0.0 0
M  V30 28 C -1.299 -3.0 0.0 0
M  V30 29 C -2.598 -0.75 0.0 0
M  V30 30 N -1.299 -4.5 0.0 0
M  V30 31 C -2.598 -2.25 0.0 0
M  V30 32 C 0.0 -5.25 0.0 0
M  V30 33 O 1.299 -4.5 0.0 0
M  V30 34 C 0.0 -6.75 0.0 0
M  V30 35 N -1.5 -6.75 0.0 0
M  V30 36 C 0.0 -8.25 0.0 0
M  V30 37 C 1.5 -6.75 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 2 11 14
M  V30 14 1 11 15
M  V30 15 1 12 16
M  V30 16 1 13 17
M  V30 17 2 13 18
M  V30 18 1 15 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 2 19 23
M  V30 23 1 19 24
M  V30 24 1 20 25
M  V30 25 2 24 26
M  V30 26 1 24 27
M  V30 27 1 26 28
M  V30 28 2 27 29
M  V30 29 1 28 30
M  V30 30 2 28 31
M  V30 31 1 30 32
M  V30 32 2 32 33
M  V30 33 1 32 34
M  V30 34 1 34 35
M  V30 35 1 34 36
M  V30 36 1 34 37
M  V30 37 1 7 9
M  V30 38 1 14 17
M  V30 39 2 21 25
M  V30 40 1 29 31
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
CID56599306

>  <name>
pilaralisib

>  <smiles>
CC(C)(C(=O)Nc1cc(ccc1)S(=O)(=O)Nc2nc3ccccc3nc2Nc4c(ccc(c4)OC)Cl)N

$$$$
CID25127713
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 33 36 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 2.598 -2.0 0.0 0
M  V30 2 C 3.4641 -1.5 0.0 0
M  V30 3 C 4.3301 -2.0 0.0 0
M  V30 4 C 3.4641 -0.5 0.0 0
M  V30 5 F 4.3301 -3.0 0.0 0
M  V30 6 C 5.1961 -1.4999 0.0 0
M  V30 7 Cl 2.598 0.0 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 N 6.0621 -1.9999 0.0 0
M  V30 10 C 5.1961 -0.5 0.0 0
M  V30 11 C 6.9282 -1.4999 0.0 0
M  V30 12 N 7.7942 -1.9999 0.0 0
M  V30 13 C 6.9282 -0.4999 0.0 0
M  V30 14 C 8.6602 -1.4999 0.0 0
M  V30 15 C 7.7942 0.0 0.0 0
M  V30 16 C 6.0621 0.0 0.0 0
M  V30 17 N 8.6602 -0.4999 0.0 0
M  V30 18 C 7.7942 1.0 0.0 0
M  V30 19 C 6.0621 1.0 0.0 0
M  V30 20 C 6.9282 1.5 0.0 0
M  V30 21 O 5.1961 1.5 0.0 0
M  V30 22 O 6.9282 2.5 0.0 0
M  V30 23 C 5.1961 2.5 0.0 0
M  V30 24 C 7.7942 3.0 0.0 0
M  V30 25 C 4.3301 3.0 0.0 0
M  V30 26 C 6.0621 3.0 0.0 0
M  V30 27 C 4.3301 4.0 0.0 0
M  V30 28 C 6.0621 4.0 0.0 0
M  V30 29 N 5.1961 4.5 0.0 0
M  V30 30 C 5.1961 5.5 0.0 0
M  V30 31 O 6.0621 6.0 0.0 0
M  V30 32 C 4.3301 6.0 0.0 0
M  V30 33 C 4.3301 7.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 2 4 8
M  V30 8 1 6 9
M  V30 9 2 6 10
M  V30 10 1 9 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 13 16
M  V30 16 2 14 17
M  V30 17 2 15 18
M  V30 18 1 16 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 23 25
M  V30 25 1 23 26
M  V30 26 1 25 27
M  V30 27 1 26 28
M  V30 28 1 27 29
M  V30 29 1 29 30
M  V30 30 2 30 31
M  V30 31 1 30 32
M  V30 32 2 32 33
M  V30 33 1 8 10
M  V30 34 1 15 17
M  V30 35 2 19 20
M  V30 36 1 28 29
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
CID25127713

>  <name>
poziotinib

>  <smiles>
COc1c(cc2c(c1)ncnc2Nc3c(c(c(cc3)Cl)Cl)F)OC4CCN(CC4)C(=O)C=C

$$$$
CID11671467
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 40 43 0 0 0
M  V30 BEGIN ATOM
M  V30 1 P 3.8971 0.0 0.0 0
M  V30 2 O 4.6471 -1.299 0.0 0
M  V30 3 O 2.598 -0.75 0.0 0
M  V30 4 O 5.1961 0.75 0.0 0
M  V30 5 O 3.1471 1.299 0.0 0
M  V30 6 C 1.299 0.0 0.0 0
M  V30 7 N 0.0 -0.75 0.0 0
M  V30 8 C -1.299 0.0 0.0 0
M  V30 9 C 0.0 -2.25 0.0 0
M  V30 10 N -1.299 1.5 0.0 0
M  V30 11 C -2.598 -0.75 0.0 0
M  V30 12 O 1.299 -3.0 0.0 0
M  V30 13 C -1.299 -3.0 0.0 0
M  V30 14 C -2.598 2.25 0.0 0
M  V30 15 O -2.598 -2.25 0.0 0
M  V30 16 C -3.8971 0.0 0.0 0
M  V30 17 C -2.049 -4.299 0.0 0
M  V30 18 C -0.549 -4.299 0.0 0
M  V30 19 N -2.598 3.75 0.0 0
M  V30 20 C -3.8971 1.5 0.0 0
M  V30 21 C -3.8971 4.5 0.0 0
M  V30 22 N -3.8971 6.0 0.0 0
M  V30 23 C -5.1961 3.75 0.0 0
M  V30 24 C -5.1961 6.75 0.0 0
M  V30 25 F -5.1961 2.25 0.0 0
M  V30 26 C -6.4951 4.5 0.0 0
M  V30 27 N -6.4951 6.0 0.0 0
M  V30 28 N -5.1961 8.25 0.0 0
M  V30 29 C -6.4951 9.0 0.0 0
M  V30 30 C -6.4951 10.5 0.0 0
M  V30 31 C -7.7942 8.25 0.0 0
M  V30 32 C -7.7942 11.25 0.0 0
M  V30 33 C -9.0932 9.0 0.0 0
M  V30 34 O -7.7942 12.75 0.0 0
M  V30 35 C -9.0932 10.5 0.0 0
M  V30 36 O -10.3923 8.25 0.0 0
M  V30 37 C -9.0932 13.5 0.0 0
M  V30 38 O -10.3923 11.25 0.0 0
M  V30 39 C -10.3923 6.75 0.0 0
M  V30 40 C -11.6913 10.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 1 3
M  V30 3 1 1 4
M  V30 4 1 1 5
M  V30 5 1 3 6
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 1 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 2 9 12
M  V30 12 1 9 13
M  V30 13 1 10 14
M  V30 14 1 11 15
M  V30 15 2 11 16
M  V30 16 1 13 17
M  V30 17 1 13 18
M  V30 18 1 14 19
M  V30 19 2 14 20
M  V30 20 1 19 21
M  V30 21 2 21 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 23 25
M  V30 25 2 23 26
M  V30 26 2 24 27
M  V30 27 1 24 28
M  V30 28 1 28 29
M  V30 29 2 29 30
M  V30 30 1 29 31
M  V30 31 1 30 32
M  V30 32 2 31 33
M  V30 33 1 32 34
M  V30 34 2 32 35
M  V30 35 1 33 36
M  V30 36 1 34 37
M  V30 37 1 35 38
M  V30 38 1 36 39
M  V30 39 1 38 40
M  V30 40 1 13 15
M  V30 41 1 16 20
M  V30 42 1 26 27
M  V30 43 1 33 35
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
CID11671467

>  <name>
fostamatinib

>  <smiles>
CC1(C(=O)N(c2c(O1)ccc(n2)Nc3nc(ncc3F)Nc4cc(c(c(c4)OC)OC)OC)COP(=O)(O)O)C

$$$$
CID163983
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 37 41 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 5.0621 3.9999 0.0 0
M  V30 2 C 6.0621 4.0 0.0 0
M  V30 3 F 6.0621 5.0 0.0 0
M  V30 4 F 7.0621 4.0 0.0 0
M  V30 5 C 6.0621 3.0 0.0 0
M  V30 6 C 5.1961 2.5 0.0 0
M  V30 7 C 6.9282 2.5 0.0 0
M  V30 8 C 5.1961 1.5 0.0 0
M  V30 9 C 6.9282 1.5 0.0 0
M  V30 10 C 4.3301 1.0 0.0 0
M  V30 11 C 6.0621 1.0 0.0 0
M  V30 12 N 3.4641 1.5 0.0 0
M  V30 13 C 4.3301 0.0 0.0 0
M  V30 14 N 3.2561 2.4781 0.0 0
M  V30 15 C 2.598 1.0 0.0 0
M  V30 16 C 3.4641 -0.4999 0.0 0
M  V30 17 C 2.2616 2.5826 0.0 0
M  V30 18 N 2.598 0.0 0.0 0
M  V30 19 C 1.8549 1.6691 0.0 0
M  V30 20 C 1.732 -0.5 0.0 0
M  V30 21 C 0.8767 1.4612 0.0 0
M  V30 22 O 1.732 -1.5 0.0 0
M  V30 23 C 0.866 0.0 0.0 0
M  V30 24 N -0.1013 1.2533 0.0 0
M  V30 25 N 0.0 -0.5 0.0 0
M  V30 26 C -0.866 0.0 0.0 0
M  V30 27 C 0.0 -1.4999 0.0 0
M  V30 28 C -1.732 -0.4999 0.0 0
M  V30 29 C -0.866 -1.9999 0.0 0
M  V30 30 N -1.732 -1.4999 0.0 0
M  V30 31 C -2.598 -1.9999 0.0 0
M  V30 32 C -2.598 -2.9999 0.0 0
M  V30 33 C -3.4641 -3.4999 0.0 0
M  V30 34 C -1.732 -3.4999 0.0 0
M  V30 35 C -3.4641 -4.4999 0.0 0
M  V30 36 C -1.732 -4.4999 0.0 0
M  V30 37 C -2.598 -4.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 1 8 10
M  V30 10 2 8 11
M  V30 11 1 10 12
M  V30 12 2 10 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 15 18
M  V30 18 2 15 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 3 21 24
M  V30 24 1 23 25
M  V30 25 1 25 26
M  V30 26 1 25 27
M  V30 27 1 26 28
M  V30 28 1 27 29
M  V30 29 1 28 30
M  V30 30 1 30 31
M  V30 31 1 31 32
M  V30 32 2 32 33
M  V30 33 1 32 34
M  V30 34 1 33 35
M  V30 35 2 34 36
M  V30 36 2 35 37
M  V30 37 1 9 11
M  V30 38 1 16 18
M  V30 39 1 17 19
M  V30 40 1 29 30
M  V30 41 1 36 37
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
CID163983

>  <name>
CL-275838

>  <smiles>
C1CN(CCN1Cc2ccccc2)CC(=O)N3CC=C(n4c3c(cn4)C#N)c5cc(ccc5)C(F)(F)F

$$$$
CID60854
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 28 32 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 1.732 1.4999 0.0 0
M  V30 2 C 2.598 1.0 0.0 0
M  V30 3 C 2.598 0.0 0.0 0
M  V30 4 C 3.4641 1.4999 0.0 0
M  V30 5 C 3.4641 -0.4999 0.0 0
M  V30 6 C 1.732 -0.5 0.0 0
M  V30 7 C 4.3301 1.0 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 C 0.866 0.0 0.0 0
M  V30 10 N 5.2811 1.309 0.0 0
M  V30 11 C 5.2811 -0.309 0.0 0
M  V30 12 N 0.0 -0.5 0.0 0
M  V30 13 C 5.8689 0.5 0.0 0
M  V30 14 C -0.866 0.0 0.0 0
M  V30 15 C 0.0 -1.4999 0.0 0
M  V30 16 O 6.8689 0.5 0.0 0
M  V30 17 C -1.732 -0.4999 0.0 0
M  V30 18 C -0.866 -1.9999 0.0 0
M  V30 19 N -1.732 -1.4999 0.0 0
M  V30 20 C -2.598 -1.9999 0.0 0
M  V30 21 N -3.5116 -1.5932 0.0 0
M  V30 22 C -2.7026 -2.9945 0.0 0
M  V30 23 S -4.1807 -2.3364 0.0 0
M  V30 24 C -3.6807 -3.2024 0.0 0
M  V30 25 C -2.0334 -3.7376 0.0 0
M  V30 26 C -3.9897 -4.1534 0.0 0
M  V30 27 C -2.3424 -4.6887 0.0 0
M  V30 28 C -3.3206 -4.8966 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 2 20 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 1 22 25
M  V30 25 1 24 26
M  V30 26 2 25 27
M  V30 27 2 26 28
M  V30 28 1 7 8
M  V30 29 1 11 13
M  V30 30 1 18 19
M  V30 31 1 23 24
M  V30 32 1 27 28
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
CID60854

>  <name>
ziprasidone

>  <smiles>
C1CN(CCN1CCc2c(cc3c(c2)CC(=O)N3)Cl)c4nsc5ccccc45

$$$$
CID135403648
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 34 36 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 12.9903 0.0 0.0 0
M  V30 2 C 12.9903 0.9999 0.0 0
M  V30 3 N 13.8564 1.4999 0.0 0
M  V30 4 C 12.1243 1.4999 0.0 0
M  V30 5 C 13.8564 2.4999 0.0 0
M  V30 6 N 11.2583 0.9999 0.0 0
M  V30 7 C 12.1243 2.4999 0.0 0
M  V30 8 N 12.9903 2.9999 0.0 0
M  V30 9 N 14.7224 2.9999 0.0 0
M  V30 10 C 11.2583 0.0 0.0 0
M  V30 11 C 10.3923 1.4999 0.0 0
M  V30 12 N 11.2583 2.9999 0.0 0
M  V30 13 O 12.1243 -0.5 0.0 0
M  V30 14 C 10.3923 2.4999 0.0 0
M  V30 15 C 9.5262 0.9999 0.0 0
M  V30 16 N 8.6602 1.4999 0.0 0
M  V30 17 C 7.7942 0.9999 0.0 0
M  V30 18 C 6.9282 1.4999 0.0 0
M  V30 19 C 7.7942 0.0 0.0 0
M  V30 20 C 6.0621 0.9999 0.0 0
M  V30 21 C 6.9282 -0.5 0.0 0
M  V30 22 C 6.0621 0.0 0.0 0
M  V30 23 C 5.1961 -0.5 0.0 0
M  V30 24 O 5.1961 -1.4999 0.0 0
M  V30 25 N 4.3301 0.0 0.0 0
M  V30 26 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 27 C 3.4641 -1.5 0.0 0
M  V30 28 C 2.598 0.0 0.0 0
M  V30 29 O 2.598 -1.9999 0.0 0
M  V30 30 O 4.3301 -2.0 0.0 0
M  V30 31 C 1.732 -0.5 0.0 0
M  V30 32 C 0.866 0.0 0.0 0
M  V30 33 O 0.866 1.0 0.0 0
M  V30 34 O 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 6 11
M  V30 11 1 7 12
M  V30 12 2 10 13
M  V30 13 1 11 14
M  V30 14 1 11 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 22 23
M  V30 23 2 23 24
M  V30 24 1 23 25
M  V30 25 1 26 25 CFG=3
M  V30 26 1 26 27
M  V30 27 1 26 28
M  V30 28 2 27 29
M  V30 29 1 27 30
M  V30 30 1 28 31
M  V30 31 1 31 32
M  V30 32 2 32 33
M  V30 33 1 32 34
M  V30 34 1 7 8
M  V30 35 1 12 14
M  V30 36 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 26)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
CID135403648

>  <name>
leucovorin

>  <smiles>
C1C(N(c2c(N1)nc([nH]c2=O)N)C=O)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

$$$$
CID56843466
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 41 44 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 6.9282 -0.5 0.0 0
M  V30 2 O 6.4282 -1.366 0.0 0
M  V30 3 O 7.4282 0.366 0.0 0
M  V30 4 N 6.0621 0.0 0.0 0
M  V30 5 C 7.7942 -1.0 0.0 0
M  V30 6 C 5.1961 -0.5 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 5.1961 -1.4999 0.0 0
M  V30 9 O 4.3301 1.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 4.3301 -1.9999 0.0 0
M  V30 12 C 3.4641 1.5 0.0 0
M  V30 13 N 2.598 0.0 0.0 0
M  V30 14 C 3.4641 -1.4999 0.0 0
M  V30 15 C 4.3301 -3.0 0.0 0
M  V30 16 C 1.732 -0.5 0.0 0
M  V30 17 C 5.3301 -3.0 0.0 0
M  V30 18 C 4.3301 -4.0 0.0 0
M  V30 19 C 3.3301 -3.0 0.0 0
M  V30 20 O 1.732 -1.5 0.0 0
M  V30 21 C 0.866 0.0 0.0 0
M  V30 22 O 0.866 1.0 0.0 0
M  V30 23 C 0.0 -0.5 0.0 0
M  V30 24 C -0.866 0.0 0.0 0
M  V30 25 C 0.0 -1.4999 0.0 0
M  V30 26 C -1.732 -0.4999 0.0 0
M  V30 27 C -0.866 1.0 0.0 0
M  V30 28 C -0.866 -1.9999 0.0 0
M  V30 29 C -1.732 -1.4999 0.0 0
M  V30 30 C -2.598 0.0 0.0 0
M  V30 31 C -1.732 1.5 0.0 0
M  V30 32 O -2.598 -1.9999 0.0 0
M  V30 33 C -2.598 1.0 0.0 0
M  V30 34 C -2.598 -2.9999 0.0 0
M  V30 35 C -3.4641 -3.4999 0.0 0
M  V30 36 N -3.4641 -4.4999 0.0 0
M  V30 37 C -4.3301 -4.9999 0.0 0
M  V30 38 C -2.598 -4.9999 0.0 0
M  V30 39 C -4.3301 -5.9999 0.0 0
M  V30 40 C -2.598 -5.9999 0.0 0
M  V30 41 O -3.4641 -6.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 2 1 3
M  V30 3 1 1 4
M  V30 4 1 1 5
M  V30 5 1 4 6
M  V30 6 2 6 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 1 7 10
M  V30 10 2 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 2 10 14
M  V30 14 1 11 15
M  V30 15 1 13 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 15 19
M  V30 19 2 16 20
M  V30 20 1 16 21
M  V30 21 2 21 22
M  V30 22 1 21 23
M  V30 23 1 23 24
M  V30 24 2 23 25
M  V30 25 1 24 26
M  V30 26 2 24 27
M  V30 27 1 25 28
M  V30 28 1 26 29
M  V30 29 2 26 30
M  V30 30 1 27 31
M  V30 31 1 29 32
M  V30 32 1 30 33
M  V30 33 1 32 34
M  V30 34 1 34 35
M  V30 35 1 35 36
M  V30 36 1 36 37
M  V30 37 1 36 38
M  V30 38 1 37 39
M  V30 39 1 38 40
M  V30 40 1 39 41
M  V30 41 1 11 14
M  V30 42 2 28 29
M  V30 43 2 31 33
M  V30 44 1 40 41
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
CID56843466

>  <name>
ITX5061

>  <smiles>
CC(C)(C)c1cc(c(c(c1)NS(=O)(=O)C)OC)NC(=O)C(=O)c2ccc(c3ccccc23)OCCN4CCOCC4

$$$$
CID452548
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 46 53 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 6.1096 -3.0932 0.0 0
M  V30 2 C 5.1961 -3.5 0.0 0
M  V30 3 C 6.7788 -3.8364 0.0 0
M  V30 4 C 5.3006 -4.4945 0.0 0
M  V30 5 C 4.3301 -3.0 0.0 0 CFG=1
M  V30 6 C 6.2788 -4.7024 0.0 0
M  V30 7 O 4.3301 -1.9999 0.0 0
M  V30 8 O 3.4641 -3.5 0.0 0
M  V30 9 C 3.4641 -1.4999 0.0 0 CFG=1
M  V30 10 C 2.598 -2.9999 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 12 C 2.598 -1.9999 0.0 0 CFG=1
M  V30 13 O 4.3301 0.0 0.0 0
M  V30 14 C 2.598 0.0 0.0 0 CFG=1
M  V30 15 O 1.732 -1.4999 0.0 0
M  V30 16 O 2.598 1.0 0.0 0
M  V30 17 C 1.732 -0.5 0.0 0 CFG=1
M  V30 18 O 0.866 0.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0 CFG=2
M  V30 20 C -0.866 0.0 0.0 0
M  V30 21 C 0.0 -1.4999 0.0 0 CFG=2
M  V30 22 C -1.732 -0.4999 0.0 0
M  V30 23 C -0.866 0.9999 0.0 0
M  V30 24 C -0.866 -1.9999 0.0 0 CFG=1
M  V30 25 C 0.7431 -2.1691 0.0 0
M  V30 26 C -2.598 0.0 0.0 0
M  V30 27 C -1.732 -1.4999 0.0 0 CFG=2
M  V30 28 C -1.732 1.5 0.0 0
M  V30 29 C -0.6581 -2.9781 0.0 0
M  V30 30 O 0.3364 -3.0826 0.0 0
M  V30 31 C -2.598 1.0 0.0 0
M  V30 32 C -2.598 -1.9999 0.0 0
M  V30 33 O -1.9399 2.4781 0.0 0
M  V30 34 O -1.3272 -3.7212 0.0 0
M  V30 35 O -3.3412 1.6691 0.0 0
M  V30 36 C -3.4641 -1.4999 0.0 0
M  V30 37 C -2.598 -2.9999 0.0 0
M  V30 38 C -2.9344 2.5826 0.0 0
M  V30 39 C -4.3301 -1.9999 0.0 0
M  V30 40 C -3.4641 -3.4999 0.0 0
M  V30 41 O -5.1961 -1.4999 0.0 0
M  V30 42 C -4.3301 -2.9999 0.0 0
M  V30 43 O -3.4641 -4.4999 0.0 0
M  V30 44 C -6.0621 -1.9999 0.0 0
M  V30 45 O -5.1961 -3.4999 0.0 0
M  V30 46 C -2.598 -5.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 5 2 CFG=3
M  V30 5 2 3 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 9 7 CFG=3
M  V30 9 1 8 10
M  V30 10 1 11 9
M  V30 11 1 12 9
M  V30 12 1 11 13 CFG=1
M  V30 13 1 14 11
M  V30 14 1 12 15 CFG=1
M  V30 15 1 14 16 CFG=3
M  V30 16 1 17 14
M  V30 17 1 17 18 CFG=1
M  V30 18 1 19 18 CFG=1
M  V30 19 1 19 20
M  V30 20 1 21 19
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 24 21
M  V30 24 1 21 25 CFG=1
M  V30 25 1 22 26
M  V30 26 1 27 22
M  V30 27 2 23 28
M  V30 28 1 24 29 CFG=3
M  V30 29 1 25 30
M  V30 30 2 26 31
M  V30 31 1 27 32 CFG=3
M  V30 32 1 28 33
M  V30 33 2 29 34
M  V30 34 1 31 35
M  V30 35 2 32 36
M  V30 36 1 32 37
M  V30 37 1 33 38
M  V30 38 1 36 39
M  V30 39 2 37 40
M  V30 40 1 39 41
M  V30 41 2 39 42
M  V30 42 1 40 43
M  V30 43 1 41 44
M  V30 44 1 42 45
M  V30 45 1 43 46
M  V30 46 1 4 6
M  V30 47 1 10 12
M  V30 48 1 15 17
M  V30 49 1 24 27
M  V30 50 1 28 31
M  V30 51 1 29 30
M  V30 52 1 35 38
M  V30 53 1 40 42
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(10 5 9 11 12 14 17 19 21 24 27)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
CID452548

>  <name>
teniposide

>  <smiles>
COc1cc(cc(c1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](c4cc5c(cc24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)c8cccs8)O)O

$$$$
CID36462
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 42 48 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.778 -0.0581 0.0 0
M  V30 2 C 6.3108 0.2536 0.0 0
M  V30 3 O 5.7007 1.624 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0 CFG=2
M  V30 5 C 4.2089 1.4672 0.0 0
M  V30 6 C 5.1961 -2.25 0.0 0 CFG=1
M  V30 7 C 3.8971 0.0 0.0 0 CFG=2
M  V30 8 C 3.8971 -3.0 0.0 0
M  V30 9 C 6.4951 -2.9999 0.0 0
M  V30 10 C 2.598 -0.75 0.0 0 CFG=1
M  V30 11 C 2.598 -2.25 0.0 0
M  V30 12 C 3.8971 -4.4999 0.0 0
M  V30 13 C 6.4951 -4.4999 0.0 0
M  V30 14 C 7.7942 -2.2499 0.0 0
M  V30 15 O 1.299 0.0 0.0 0
M  V30 16 C 1.299 -2.9999 0.0 0
M  V30 17 C 2.598 -5.25 0.0 0
M  V30 18 C 7.7942 -5.2499 0.0 0
M  V30 19 C 9.0932 -2.9999 0.0 0
M  V30 20 C 1.299 1.4999 0.0 0 CFG=2
M  V30 21 C 1.299 -4.5 0.0 0
M  V30 22 O 2.2862 -6.7172 0.0 0
M  V30 23 O 7.7942 -6.7499 0.0 0
M  V30 24 C 9.0932 -4.4999 0.0 0
M  V30 25 O 10.3923 -2.2499 0.0 0
M  V30 26 O 2.598 2.2499 0.0 0
M  V30 27 C 0.0 2.25 0.0 0 CFG=2
M  V30 28 O 0.1843 -5.5036 0.0 0
M  V30 29 C 0.7944 -6.874 0.0 0
M  V30 30 C 9.0932 -7.4999 0.0 0
M  V30 31 O 10.3923 -5.2499 0.0 0
M  V30 32 C 10.3923 -0.7499 0.0 0
M  V30 33 C 2.598 3.75 0.0 0 CFG=1
M  V30 34 O -1.299 1.5 0.0 0
M  V30 35 C 0.0 3.75 0.0 0 CFG=2
M  V30 36 C 1.299 4.5 0.0 0 CFG=2
M  V30 37 C 3.8971 4.4999 0.0 0
M  V30 38 O -1.299 4.5 0.0 0
M  V30 39 O 1.299 6.0 0.0 0
M  V30 40 O 3.8971 6.0 0.0 0
M  V30 41 C 2.598 6.7499 0.0 0 CFG=1
M  V30 42 C 2.598 8.25 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 4 2 CFG=3
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 1 7 4
M  V30 7 1 6 8
M  V30 8 1 6 9 CFG=3
M  V30 9 1 10 7
M  V30 10 2 8 11
M  V30 11 1 8 12
M  V30 12 2 9 13
M  V30 13 1 9 14
M  V30 14 1 10 15 CFG=1
M  V30 15 1 11 16
M  V30 16 2 12 17
M  V30 17 1 13 18
M  V30 18 2 14 19
M  V30 19 1 20 15 CFG=1
M  V30 20 2 16 21
M  V30 21 1 17 22
M  V30 22 1 18 23
M  V30 23 2 18 24
M  V30 24 1 19 25
M  V30 25 1 20 26
M  V30 26 1 27 20
M  V30 27 1 21 28
M  V30 28 1 22 29
M  V30 29 1 23 30
M  V30 30 1 24 31
M  V30 31 1 25 32
M  V30 32 1 33 26 CFG=1
M  V30 33 1 27 34 CFG=3
M  V30 34 1 35 27
M  V30 35 1 36 33
M  V30 36 1 33 37
M  V30 37 1 35 38 CFG=1
M  V30 38 1 36 39 CFG=3
M  V30 39 1 37 40
M  V30 40 1 41 39
M  V30 41 1 41 42 CFG=3
M  V30 42 1 7 5 CFG=1
M  V30 43 1 10 11
M  V30 44 1 17 21
M  V30 45 1 19 24
M  V30 46 1 28 29
M  V30 47 1 35 36
M  V30 48 1 40 41
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(10 4 6 7 10 20 27 33 35 36 41)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
CID36462

>  <name>
etoposide

>  <smiles>
C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](c5cc6c(cc35)OCO6)c7cc(c(c(c7)OC)O)OC)O)O

$$$$
CID9852175
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 44 48 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.4951 6.0 0.0 0
M  V30 2 C 6.4951 4.5 0.0 0
M  V30 3 C 7.7942 3.75 0.0 0
M  V30 4 C 5.1961 3.75 0.0 0
M  V30 5 C 7.7942 2.2499 0.0 0
M  V30 6 C 5.1961 2.25 0.0 0
M  V30 7 C 6.4951 1.5 0.0 0
M  V30 8 C 9.0932 1.4999 0.0 0
M  V30 9 C 6.4951 0.0 0.0 0 CFG=2
M  V30 10 N 5.1961 -0.75 0.0 0
M  V30 11 C 7.7942 -0.75 0.0 0
M  V30 12 C 3.8971 0.0 0.0 0
M  V30 13 C 5.1961 -2.25 0.0 0
M  V30 14 C 7.7942 -2.25 0.0 0 CFG=2
M  V30 15 O 3.8971 1.5 0.0 0
M  V30 16 N 2.598 -0.75 0.0 0
M  V30 17 C 6.4951 -3.0 0.0 0
M  V30 18 N 9.0932 -3.0 0.0 0
M  V30 19 C 1.299 0.0 0.0 0 CFG=1
M  V30 20 C 2.598 -2.2499 0.0 0
M  V30 21 C 10.3923 -2.25 0.0 0
M  V30 22 C 9.0932 -4.5 0.0 0
M  V30 23 C 0.0 -0.7499 0.0 0
M  V30 24 C 1.299 1.5 0.0 0
M  V30 25 C 11.6913 -3.0 0.0 0 CFG=1
M  V30 26 C 10.3923 -5.25 0.0 0
M  V30 27 C 0.0 -2.2499 0.0 0
M  V30 28 C -1.299 0.0 0.0 0
M  V30 29 N 11.6913 -4.5 0.0 0
M  V30 30 C 13.1179 -2.5364 0.0 0
M  V30 31 C -1.299 -2.9999 0.0 0
M  V30 32 C -2.598 -0.7499 0.0 0
M  V30 33 C 13.1179 -4.9635 0.0 0
M  V30 34 C 13.9996 -3.75 0.0 0
M  V30 35 C -2.598 -2.2499 0.0 0
M  V30 36 C -1.299 -4.4999 0.0 0
M  V30 37 C -3.8971 0.0 0.0 0
M  V30 38 O 13.5814 -6.3901 0.0 0
M  V30 39 F -2.799 -4.4999 0.0 0
M  V30 40 F -1.299 -5.9999 0.0 0
M  V30 41 F 0.2009 -4.4999 0.0 0
M  V30 42 F -3.1471 1.299 0.0 0
M  V30 43 F -5.1961 0.75 0.0 0
M  V30 44 F -4.6471 -1.299 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 9 7 CFG=1
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 10 13
M  V30 13 1 14 11
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 13 17
M  V30 17 1 14 18 CFG=1
M  V30 18 1 19 16 CFG=1
M  V30 19 1 16 20
M  V30 20 1 18 21
M  V30 21 1 18 22
M  V30 22 1 19 23
M  V30 23 1 19 24
M  V30 24 1 25 21
M  V30 25 1 22 26
M  V30 26 2 23 27
M  V30 27 1 23 28
M  V30 28 1 25 29 CFG=3
M  V30 29 1 25 30
M  V30 30 1 27 31
M  V30 31 2 28 32
M  V30 32 1 29 33
M  V30 33 1 30 34
M  V30 34 2 31 35
M  V30 35 1 31 36
M  V30 36 1 32 37
M  V30 37 2 33 38
M  V30 38 1 36 39
M  V30 39 1 36 40
M  V30 40 1 36 41
M  V30 41 1 37 42
M  V30 42 1 37 43
M  V30 43 1 37 44
M  V30 44 1 6 7
M  V30 45 1 14 17
M  V30 46 1 26 29
M  V30 47 1 32 35
M  V30 48 1 33 34
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(4 9 14 19 25)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
CID9852175

>  <name>
orvepitant

>  <smiles>
Cc1c(ccc(c1)F)[C@H]2C[C@H](CCN2C(=O)N(C)[C@H](C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)N4CCN5[C@H](C4)CCC5=O

$$$$
CID107715
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 45 52 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O -4.0826 -1.7024 0.0 0
M  V30 2 C -3.0826 -1.7024 0.0 0
M  V30 3 N -2.5826 -2.5684 0.0 0
M  V30 4 C -2.5826 -0.8364 0.0 0 CFG=1
M  V30 5 C -1.5826 -2.5684 0.0 0 CFG=2
M  V30 6 C -2.8916 -3.5195 0.0 0
M  V30 7 N -1.5826 -0.8364 0.0 0
M  V30 8 C -3.0826 0.0296 0.0 0
M  V30 9 C -1.0826 -1.7024 0.0 0 CFG=1
M  V30 10 C -1.2736 -3.5195 0.0 0
M  V30 11 C -2.0826 -4.1073 0.0 0
M  V30 12 C -0.9135 -0.0932 0.0 0
M  V30 13 C -4.0826 0.0296 0.0 0
M  V30 14 O -0.1045 -1.4945 0.0 0
M  V30 15 O -0.4948 -2.5114 0.0 0
M  V30 16 O -1.1214 0.8848 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0 CFG=1
M  V30 18 C -4.5826 0.8956 0.0 0
M  V30 19 C -4.5826 -0.8364 0.0 0
M  V30 20 N 0.866 0.0 0.0 0
M  V30 21 C 0.8386 -1.0446 0.0 0
M  V30 22 C -5.5826 0.8956 0.0 0
M  V30 23 C -5.5826 -0.8364 0.0 0
M  V30 24 C 0.866 1.0 0.0 0
M  V30 25 C 0.7863 -2.0432 0.0 0
M  V30 26 C 1.7296 -0.5906 0.0 0
M  V30 27 C -6.0826 0.0296 0.0 0
M  V30 28 O 0.0 1.5 0.0 0
M  V30 29 C 1.732 1.4999 0.0 0 CFG=1
M  V30 30 C 2.598 1.0 0.0 0
M  V30 31 C 1.732 2.5 0.0 0
M  V30 32 N 3.4641 1.4999 0.0 0
M  V30 33 C 2.598 3.0 0.0 0 CFG=1
M  V30 34 C 3.4641 2.5 0.0 0 CFG=1
M  V30 35 C 4.3301 1.0 0.0 0
M  V30 36 C 2.598 4.0 0.0 0
M  V30 37 C 4.3301 3.0 0.0 0
M  V30 38 C 3.4641 4.5 0.0 0
M  V30 39 C 1.7918 4.6445 0.0 0
M  V30 40 C 4.3301 4.0 0.0 0
M  V30 41 C 3.672 5.4781 0.0 0
M  V30 42 C 1.8963 5.639 0.0 0
M  V30 43 C 5.0732 4.6691 0.0 0
M  V30 44 N 4.6665 5.5826 0.0 0
M  V30 45 C 2.8099 6.0457 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 4 2
M  V30 4 1 5 3 CFG=3
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8 CFG=3
M  V30 8 1 9 5
M  V30 9 1 5 10
M  V30 10 1 6 11
M  V30 11 1 7 12
M  V30 12 1 8 13
M  V30 13 1 9 14
M  V30 14 1 9 15 CFG=3
M  V30 15 2 12 16
M  V30 16 1 17 12
M  V30 17 2 13 18
M  V30 18 1 13 19
M  V30 19 1 17 20 CFG=3
M  V30 20 1 17 21
M  V30 21 1 18 22
M  V30 22 2 19 23
M  V30 23 1 20 24
M  V30 24 1 21 25
M  V30 25 1 21 26
M  V30 26 2 22 27
M  V30 27 2 24 28
M  V30 28 1 29 24 CFG=3
M  V30 29 1 29 30
M  V30 30 1 29 31
M  V30 31 1 30 32
M  V30 32 1 33 31 CFG=3
M  V30 33 1 34 32 CFG=1
M  V30 34 1 32 35
M  V30 35 1 33 36
M  V30 36 1 34 37
M  V30 37 2 36 38
M  V30 38 1 36 39
M  V30 39 1 37 40
M  V30 40 1 38 41
M  V30 41 2 39 42
M  V30 42 2 40 43
M  V30 43 1 41 44
M  V30 44 2 41 45
M  V30 45 1 7 9
M  V30 46 1 10 11
M  V30 47 1 14 17
M  V30 48 1 23 27
M  V30 49 1 33 34
M  V30 50 1 38 40
M  V30 51 1 42 45
M  V30 52 1 43 44
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(7 4 5 9 17 29 33 34)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
CID107715

>  <name>
dihydroergocristine

>  <smiles>
CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@@H]5C[C@H]6[C@@H](Cc7c[nH]c8cccc6c78)N(C5)C

$$$$
CID46215462
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 38 44 0 0 0
M  V30 BEGIN ATOM
M  V30 1 N 5.7105 0.2861 0.0 0
M  V30 2 N 4.7159 0.1816 0.0 0
M  V30 3 C 6.2982 -0.5228 0.0 0
M  V30 4 C 4.3092 -0.7318 0.0 0
M  V30 5 C 7.2661 -0.2712 0.0 0
M  V30 6 C 5.8915 -1.4363 0.0 0
M  V30 7 N 3.3147 -0.8364 0.0 0
M  V30 8 C 4.897 -1.5408 0.0 0
M  V30 9 C 8.0662 -0.871 0.0 0
M  V30 10 C 7.3855 0.7216 0.0 0
M  V30 11 C 6.3521 -2.3239 0.0 0
M  V30 12 N 2.6455 -0.0932 0.0 0
M  V30 13 C 2.8147 -1.7024 0.0 0
M  V30 14 C 8.9857 -0.478 0.0 0
M  V30 15 C 8.0961 -1.8706 0.0 0
M  V30 16 C 8.305 1.1146 0.0 0
M  V30 17 C 7.3333 -2.5172 0.0 0
M  V30 18 C 1.732 -0.5 0.0 0
M  V30 19 N 1.8365 -1.4945 0.0 0
M  V30 20 N 3.2214 -2.6159 0.0 0
M  V30 21 C 9.1051 0.5148 0.0 0
M  V30 22 N 0.866 0.0 0.0 0
M  V30 23 C 0.0 -0.5 0.0 0
M  V30 24 C -0.866 0.0 0.0 0
M  V30 25 C 0.0 -1.4999 0.0 0
M  V30 26 C -1.732 -0.4999 0.0 0
M  V30 27 C -0.866 -1.9999 0.0 0
M  V30 28 C -1.732 -1.4999 0.0 0
M  V30 29 C -2.5138 0.1234 0.0 0
M  V30 30 C -2.5138 -2.1234 0.0 0
M  V30 31 C -3.4888 -0.099 0.0 0
M  V30 32 C -3.4888 -1.9009 0.0 0
M  V30 33 C -3.9226 -0.9999 0.0 0 CFG=2
M  V30 34 N -4.9226 -0.9999 0.0 0
M  V30 35 C -5.5104 -0.1909 0.0 0
M  V30 36 C -5.5104 -1.809 0.0 0
M  V30 37 C -6.4615 -0.4999 0.0 0
M  V30 38 C -6.4615 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 1 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 3 6
M  V30 6 1 4 7
M  V30 7 2 4 8
M  V30 8 2 5 9
M  V30 9 1 5 10
M  V30 10 1 6 11
M  V30 11 1 7 12
M  V30 12 1 7 13
M  V30 13 1 9 14
M  V30 14 1 9 15
M  V30 15 2 10 16
M  V30 16 1 11 17
M  V30 17 2 12 18
M  V30 18 2 13 19
M  V30 19 1 13 20
M  V30 20 2 14 21
M  V30 21 1 18 22
M  V30 22 1 22 23
M  V30 23 2 23 24
M  V30 24 1 23 25
M  V30 25 1 24 26
M  V30 26 2 25 27
M  V30 27 2 26 28
M  V30 28 1 26 29
M  V30 29 1 28 30
M  V30 30 1 29 31
M  V30 31 1 30 32
M  V30 32 1 33 31
M  V30 33 1 33 34 CFG=3
M  V30 34 1 34 35
M  V30 35 1 34 36
M  V30 36 1 35 37
M  V30 37 1 36 38
M  V30 38 1 6 8
M  V30 39 1 15 17
M  V30 40 1 16 21
M  V30 41 1 18 19
M  V30 42 1 27 28
M  V30 43 1 32 33
M  V30 44 1 37 38
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 33)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
CID46215462

>  <name>
bemcentinib

>  <smiles>
C1CCN(C1)C2CCc3c(CC2)cc(cc3)Nc4nn(c(n4)N)-c5nnc-6c(c5)CCCc7ccccc67

$$$$
CID25019940
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 41 47 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.0621 3.0 0.0 0
M  V30 2 C 5.1961 2.5 0.0 0
M  V30 3 C 4.3301 3.0 0.0 0
M  V30 4 C 5.1961 1.5 0.0 0
M  V30 5 C 3.4641 2.4999 0.0 0
M  V30 6 C 4.3301 1.0 0.0 0
M  V30 7 F 2.598 2.9999 0.0 0
M  V30 8 C 3.4641 1.4999 0.0 0
M  V30 9 C 4.3301 0.0 0.0 0 CFG=1
M  V30 10 N 3.4641 -0.5 0.0 0
M  V30 11 C 5.1961 -0.4999 0.0 0
M  V30 12 C 3.4641 -1.5 0.0 0
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 N 5.1961 -1.4999 0.0 0
M  V30 15 O 2.598 -2.0 0.0 0
M  V30 16 C 4.3301 -1.9999 0.0 0
M  V30 17 C 1.732 -0.5 0.0 0
M  V30 18 C 3.5211 -2.5877 0.0 0
M  V30 19 C 5.1391 -2.5877 0.0 0
M  V30 20 O 1.732 -1.5 0.0 0
M  V30 21 N 0.866 0.0 0.0 0
M  V30 22 C 3.8301 -3.5388 0.0 0
M  V30 23 C 4.8301 -3.5388 0.0 0
M  V30 24 C 0.0 -0.5 0.0 0
M  V30 25 C 0.0 -1.4999 0.0 0
M  V30 26 C -0.866 0.0 0.0 0
M  V30 27 C -0.866 -1.9999 0.0 0
M  V30 28 C -1.732 -0.4999 0.0 0
M  V30 29 C -1.732 -1.4999 0.0 0
M  V30 30 C -1.0739 -2.9781 0.0 0
M  V30 31 C -2.4751 -2.1691 0.0 0
M  V30 32 C -2.0684 -3.0826 0.0 0 CFG=1
M  V30 33 C -3.0629 -3.1872 0.0 0
M  V30 34 C -1.6617 -3.9962 0.0 0
M  V30 35 O -3.7321 -2.444 0.0 0
M  V30 36 N -3.2708 -4.1653 0.0 0
M  V30 37 C -2.4048 -4.6653 0.0 0
M  V30 38 C -0.7106 -4.3052 0.0 0
M  V30 39 N -2.1969 -5.6434 0.0 0
M  V30 40 C -0.5027 -5.2833 0.0 0
M  V30 41 C -1.2458 -5.9525 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 9 6 CFG=3
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 13 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 17 21
M  V30 21 1 18 22
M  V30 22 1 19 23
M  V30 23 1 21 24
M  V30 24 2 24 25
M  V30 25 1 24 26
M  V30 26 1 25 27
M  V30 27 2 26 28
M  V30 28 2 27 29
M  V30 29 1 27 30
M  V30 30 1 29 31
M  V30 31 1 32 30 CFG=3
M  V30 32 1 32 33
M  V30 33 1 32 34
M  V30 34 2 33 35
M  V30 35 1 33 36
M  V30 36 2 34 37
M  V30 37 1 34 38
M  V30 38 1 37 39
M  V30 39 2 38 40
M  V30 40 2 39 41
M  V30 41 1 6 8
M  V30 42 1 14 16
M  V30 43 1 22 23
M  V30 44 1 28 29
M  V30 45 1 31 32
M  V30 46 1 36 37
M  V30 47 1 40 41
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(2 9 32)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
CID25019940

>  <name>
MK-3207

>  <smiles>
C1CCC2(C1)C(=O)N([C@@H](CN2)c3cc(cc(c3)F)F)CC(=O)Nc4cc5c(C[C@@]6(C5)c7c(NC6=O)nccc7)cc4

$$$$
CID110635
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 29 34 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 0.866 0.0 0.0 0
M  V30 2 C 0.0 -0.5 0.0 0
M  V30 3 N -0.866 0.0 0.0 0
M  V30 4 C 0.0 -1.4999 0.0 0 CFG=2
M  V30 5 C -1.732 -0.4999 0.0 0
M  V30 6 C -0.866 1.0 0.0 0
M  V30 7 N -0.866 -1.9999 0.0 0
M  V30 8 C 0.866 -1.9999 0.0 0
M  V30 9 C -1.732 -1.4999 0.0 0
M  V30 10 C -0.866 -2.9999 0.0 0 CFG=2
M  V30 11 C 0.866 -3.0 0.0 0
M  V30 12 O -2.598 -1.9999 0.0 0
M  V30 13 C -1.732 -3.4999 0.0 0
M  V30 14 C 0.0 -3.4999 0.0 0
M  V30 15 C 1.6091 -3.6691 0.0 0
M  V30 16 C -2.598 -2.9999 0.0 0
M  V30 17 C -1.732 -4.4999 0.0 0
M  V30 18 N 0.2079 -4.4781 0.0 0
M  V30 19 C 1.2024 -4.5826 0.0 0
M  V30 20 C 2.6036 -3.5646 0.0 0
M  V30 21 C -3.4641 -3.4999 0.0 0
M  V30 22 C -2.598 -4.9999 0.0 0
M  V30 23 C 1.7902 -5.3916 0.0 0
M  V30 24 C 3.1914 -4.3736 0.0 0
M  V30 25 O -4.4151 -3.1909 0.0 0
M  V30 26 C -3.4641 -4.4999 0.0 0
M  V30 27 C 2.7847 -5.2871 0.0 0
M  V30 28 C -5.0029 -3.9999 0.0 0
M  V30 29 O -4.4151 -4.809 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 4 2
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7 CFG=1
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 10 7
M  V30 10 1 8 11
M  V30 11 2 9 12
M  V30 12 1 10 13 CFG=1
M  V30 13 1 10 14
M  V30 14 1 11 15
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 14 18
M  V30 18 2 15 19
M  V30 19 1 15 20
M  V30 20 1 16 21
M  V30 21 2 17 22
M  V30 22 1 19 23
M  V30 23 2 20 24
M  V30 24 1 21 25
M  V30 25 2 21 26
M  V30 26 2 23 27
M  V30 27 1 25 28
M  V30 28 1 26 29
M  V30 29 1 7 9
M  V30 30 2 11 14
M  V30 31 1 18 19
M  V30 32 1 22 26
M  V30 33 1 24 27
M  V30 34 1 28 29
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(2 4 10)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
CID110635

>  <name>
tadalafil

>  <smiles>
CN1CC(=O)N2[C@@H](C1=O)Cc3c([C@H]2c4cc5c(cc4)OCO5)[nH]c6ccccc36

$$$$
CID20055426
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 44 51 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 8.6494 2.9612 0.0 0
M  V30 2 C 7.6713 3.1691 0.0 0 CFG=2
M  V30 3 C 6.9282 2.4999 0.0 0 CFG=2
M  V30 4 C 7.2646 4.0826 0.0 0
M  V30 5 C 6.0621 2.9999 0.0 0 CFG=1
M  V30 6 C 6.9282 1.4999 0.0 0
M  V30 7 C 7.8417 2.0932 0.0 0
M  V30 8 C 6.27 3.9781 0.0 0
M  V30 9 C 5.1961 2.4999 0.0 0 CFG=1
M  V30 10 C 6.0621 0.9999 0.0 0
M  V30 11 C 5.1961 1.4999 0.0 0 CFG=2
M  V30 12 C 4.3301 2.9999 0.0 0
M  V30 13 C 4.3301 0.9999 0.0 0 CFG=2
M  V30 14 C 3.4641 2.4999 0.0 0
M  V30 15 C 3.4641 1.4999 0.0 0 CFG=1
M  V30 16 C 4.3301 0.0 0.0 0
M  V30 17 C 5.1961 0.4999 0.0 0
M  V30 18 C 2.598 1.0 0.0 0
M  V30 19 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 20 C 2.598 0.0 0.0 0
M  V30 21 C 3.4641 -1.5 0.0 0
M  V30 22 N 1.732 -0.5 0.0 0
M  V30 23 N 0.866 0.0 0.0 0
M  V30 24 C 0.0 -0.5 0.0 0
M  V30 25 C -0.866 0.0 0.0 0 CFG=1
M  V30 26 C 0.0 -1.5 0.0 0
M  V30 27 C -1.732 -0.4999 0.0 0
M  V30 28 C -0.866 1.0 0.0 0
M  V30 29 C -0.866 -1.9999 0.0 0 CFG=1
M  V30 30 C -1.732 -1.4999 0.0 0 CFG=1
M  V30 31 C -0.866 -2.9999 0.0 0
M  V30 32 C -2.598 -1.9999 0.0 0 CFG=2
M  V30 33 C -2.598 -0.9999 0.0 0
M  V30 34 C -1.732 -3.4999 0.0 0
M  V30 35 C -2.598 -2.9999 0.0 0 CFG=1
M  V30 36 C -3.4641 -1.4999 0.0 0
M  V30 37 C -3.4641 -3.4999 0.0 0 CFG=1
M  V30 38 C -4.3301 -1.9999 0.0 0
M  V30 39 C -4.3301 -2.9999 0.0 0 CFG=2
M  V30 40 C -3.672 -4.4781 0.0 0
M  V30 41 C -5.0732 -3.6691 0.0 0 CFG=2
M  V30 42 C -5.2436 -2.5932 0.0 0
M  V30 43 C -4.6665 -4.5826 0.0 0
M  V30 44 O -6.0514 -3.4612 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 2 1 CFG=3
M  V30 2 1 3 2
M  V30 3 1 2 4
M  V30 4 1 5 3
M  V30 5 1 3 6
M  V30 6 1 3 7 CFG=3
M  V30 7 1 4 8
M  V30 8 1 9 5
M  V30 9 1 6 10
M  V30 10 1 11 9
M  V30 11 1 9 12 CFG=1
M  V30 12 1 13 11
M  V30 13 1 12 14
M  V30 14 1 15 13
M  V30 15 1 13 16
M  V30 16 1 13 17 CFG=3
M  V30 17 1 15 18 CFG=3
M  V30 18 1 19 16
M  V30 19 1 18 20
M  V30 20 1 19 21 CFG=1
M  V30 21 2 20 22
M  V30 22 1 22 23
M  V30 23 2 23 24
M  V30 24 1 25 24
M  V30 25 1 24 26
M  V30 26 1 25 27
M  V30 27 1 25 28 CFG=1
M  V30 28 1 29 26 CFG=3
M  V30 29 1 30 27
M  V30 30 1 29 31
M  V30 31 1 32 30
M  V30 32 1 30 33 CFG=3
M  V30 33 1 31 34
M  V30 34 1 35 32
M  V30 35 1 32 36 CFG=3
M  V30 36 1 37 35
M  V30 37 1 36 38
M  V30 38 1 39 37
M  V30 39 1 37 40 CFG=3
M  V30 40 1 41 39
M  V30 41 1 39 42 CFG=3
M  V30 42 1 40 43
M  V30 43 1 41 44 CFG=3
M  V30 44 1 5 8 CFG=3
M  V30 45 1 11 10 CFG=3
M  V30 46 1 14 15
M  V30 47 1 19 20
M  V30 48 1 29 30
M  V30 49 1 35 34 CFG=1
M  V30 50 1 38 39
M  V30 51 1 41 43
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(16 2 3 5 9 11 13 15 19 25 29 30 32 35 37 39 41)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
CID20055426

>  <name>
bolazine

>  <smiles>
C[C@H]1/C(=N/N=C\2/[C@@H](C[C@@]3([C@@H]4[C@H]([C@H]5[C@@]([C@H](CC5)O)(CC4)C)CC[C@H]3C2)C)C)/C[C@H]6[C@](C1)([C@@H]7[C@H]([C@H]8[C@@]([C@H](CC8)O)(CC7)C)CC6)C

$$$$
CID11494412
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 28 33 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 0.866 0.0 0.0 0
M  V30 2 C 0.0 -0.5 0.0 0
M  V30 3 N -0.9135 -0.0932 0.0 0
M  V30 4 C -0.1045 -1.4945 0.0 0 CFG=1
M  V30 5 C -1.5826 -0.8364 0.0 0
M  V30 6 C 0.6386 -2.1636 0.0 0
M  V30 7 C -1.0826 -1.7024 0.0 0 CFG=1
M  V30 8 O -2.5771 -0.7318 0.0 0
M  V30 9 C 0.534 -3.1581 0.0 0
M  V30 10 C 1.6167 -1.9557 0.0 0
M  V30 11 C -1.4894 -2.6159 0.0 0
M  V30 12 C 1.4476 -3.5649 0.0 0
M  V30 13 C -0.2003 -3.8834 0.0 0
M  V30 14 N 2.1167 -2.8217 0.0 0
M  V30 15 C -2.4675 -2.8238 0.0 0
M  V30 16 C -0.9894 -3.482 0.0 0
M  V30 17 C 1.7566 -4.5159 0.0 0
M  V30 18 C 0.0075 -4.8615 0.0 0
M  V30 19 C 3.0949 -3.0296 0.0 0
M  V30 20 C -2.572 -3.8184 0.0 0
M  V30 21 C -3.2765 -2.2361 0.0 0
M  V30 22 N -1.6585 -4.2251 0.0 0
M  V30 23 C 0.9586 -5.1705 0.0 0
M  V30 24 C 2.7347 -4.7238 0.0 0
M  V30 25 C 3.4039 -3.9807 0.0 0
M  V30 26 C -3.4856 -4.2251 0.0 0
M  V30 27 C -4.1901 -2.6428 0.0 0
M  V30 28 C -4.2946 -3.6373 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 4 2
M  V30 4 1 3 5
M  V30 5 1 4 6 CFG=1
M  V30 6 1 7 4
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 2 6 10
M  V30 10 1 7 11 CFG=3
M  V30 11 2 9 12
M  V30 12 1 9 13
M  V30 13 1 10 14
M  V30 14 1 11 15
M  V30 15 2 11 16
M  V30 16 1 12 17
M  V30 17 2 13 18
M  V30 18 1 14 19
M  V30 19 2 15 20
M  V30 20 1 15 21
M  V30 21 1 16 22
M  V30 22 2 17 23
M  V30 23 1 17 24
M  V30 24 1 19 25
M  V30 25 1 20 26
M  V30 26 2 21 27
M  V30 27 2 26 28
M  V30 28 1 5 7
M  V30 29 1 12 14
M  V30 30 1 18 23
M  V30 31 1 20 22
M  V30 32 1 24 25
M  V30 33 1 27 28
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(2 4 7)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
CID11494412

>  <name>
tivantinib

>  <smiles>
C1Cc2c3c(ccc2)c(cn3C1)[C@H]4[C@@H](C(=O)NC4=O)c5c[nH]c6ccccc56

$$$$
11a
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 42 45 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 9.5543 1.2787 0.0 0
M  V30 2 C 8.6032 1.5877 0.0 0
M  V30 3 N 8.2942 2.5388 0.0 0
M  V30 4 C 7.7942 0.9999 0.0 0 CFG=1
M  V30 5 C 7.2942 2.5388 0.0 0
M  V30 6 C 6.9852 1.5877 0.0 0
M  V30 7 C 7.7942 0.0 0.0 0
M  V30 8 C 6.9282 -0.5 0.0 0 CFG=2
M  V30 9 N 6.0621 0.0 0.0 0
M  V30 10 C 6.9282 -1.5 0.0 0
M  V30 11 C 5.1961 -0.5 0.0 0
M  V30 12 O 6.0621 -1.9999 0.0 0
M  V30 13 C 7.7942 -1.9999 0.0 0
M  V30 14 O 5.1961 -1.4999 0.0 0
M  V30 15 C 4.3301 0.0 0.0 0 CFG=1
M  V30 16 O 8.6602 -1.5 0.0 0
M  V30 17 N 7.7942 -3.0 0.0 0
M  V30 18 N 3.4641 -0.5 0.0 0
M  V30 19 C 4.3301 1.0 0.0 0
M  V30 20 C 8.6602 -3.5 0.0 0
M  V30 21 C 3.4641 -1.5 0.0 0
M  V30 22 C 3.4641 1.5 0.0 0
M  V30 23 C 9.5262 -2.9999 0.0 0
M  V30 24 O 4.3301 -2.0 0.0 0
M  V30 25 C 2.598 -2.0 0.0 0
M  V30 26 C 3.4641 2.5 0.0 0
M  V30 27 C 2.598 1.0 0.0 0
M  V30 28 C 10.3923 -3.4999 0.0 0
M  V30 29 C 9.5262 -1.9999 0.0 0
M  V30 30 C 2.598 -3.0 0.0 0
M  V30 31 C 2.598 3.0 0.0 0
M  V30 32 C 1.732 1.5 0.0 0
M  V30 33 C 11.2583 -2.9999 0.0 0
M  V30 34 C 10.3923 -1.4999 0.0 0
M  V30 35 C 1.732 -3.5 0.0 0
M  V30 36 C 1.732 2.5 0.0 0
M  V30 37 C 11.2583 -2.0 0.0 0
M  V30 38 C 1.732 -4.4999 0.0 0
M  V30 39 C 0.866 -3.0 0.0 0
M  V30 40 C 0.866 -5.0 0.0 0
M  V30 41 C 0.0 -3.5 0.0 0
M  V30 42 C 0.0 -4.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 4 2
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 4 7 CFG=3
M  V30 7 1 8 7
M  V30 8 1 8 9 CFG=1
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 2 10 12
M  V30 12 1 10 13
M  V30 13 2 11 14
M  V30 14 1 15 11
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 15 18 CFG=1
M  V30 18 1 15 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 21 24
M  V30 24 1 21 25
M  V30 25 2 22 26
M  V30 26 1 22 27
M  V30 27 2 23 28
M  V30 28 1 23 29
M  V30 29 2 25 30
M  V30 30 1 26 31
M  V30 31 2 27 32
M  V30 32 1 28 33
M  V30 33 2 29 34
M  V30 34 1 30 35
M  V30 35 2 31 36
M  V30 36 2 33 37
M  V30 37 2 35 38
M  V30 38 1 35 39
M  V30 39 1 38 40
M  V30 40 2 39 41
M  V30 41 2 40 42
M  V30 42 1 5 6
M  V30 43 1 32 36
M  V30 44 1 34 37
M  V30 45 1 41 42
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(3 4 8 15)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
11a

>  <name>
11a

>  <smiles>
O=C(N[C@H](C(C(NCc1ccccc1)=O)=O)C[C@@H]2CCNC2=O)[C@H](Cc3ccccc3)NC(/C=C/c4ccccc4)=O

$$$$
11r
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 42 45 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 9.5543 1.2787 0.0 0
M  V30 2 C 8.6032 1.5877 0.0 0
M  V30 3 N 8.2942 2.5388 0.0 0
M  V30 4 C 7.7942 0.9999 0.0 0 CFG=1
M  V30 5 C 7.2942 2.5388 0.0 0
M  V30 6 C 6.9852 1.5877 0.0 0
M  V30 7 C 7.7942 0.0 0.0 0
M  V30 8 C 6.9282 -0.5 0.0 0 CFG=2
M  V30 9 N 6.0621 0.0 0.0 0
M  V30 10 C 6.9282 -1.5 0.0 0
M  V30 11 C 5.1961 -0.5 0.0 0
M  V30 12 O 6.0621 -1.9999 0.0 0
M  V30 13 C 7.7942 -1.9999 0.0 0
M  V30 14 O 5.1961 -1.4999 0.0 0
M  V30 15 C 4.3301 0.0 0.0 0 CFG=1
M  V30 16 O 8.6602 -1.5 0.0 0
M  V30 17 N 7.7942 -3.0 0.0 0
M  V30 18 N 3.4641 -0.5 0.0 0
M  V30 19 C 4.3301 1.0 0.0 0
M  V30 20 C 8.6602 -3.5 0.0 0
M  V30 21 C 3.4641 -1.5 0.0 0
M  V30 22 C 3.4641 1.5 0.0 0
M  V30 23 C 9.5262 -2.9999 0.0 0
M  V30 24 O 4.3301 -2.0 0.0 0
M  V30 25 C 2.598 -2.0 0.0 0
M  V30 26 C 3.4641 2.5 0.0 0
M  V30 27 C 2.598 1.0 0.0 0
M  V30 28 C 10.3923 -3.4999 0.0 0
M  V30 29 C 9.5262 -1.9999 0.0 0
M  V30 30 C 2.598 -3.0 0.0 0
M  V30 31 C 2.598 3.0 0.0 0
M  V30 32 C 1.732 1.5 0.0 0
M  V30 33 C 11.2583 -2.9999 0.0 0
M  V30 34 C 10.3923 -1.4999 0.0 0
M  V30 35 C 1.732 -3.5 0.0 0
M  V30 36 C 1.732 2.5 0.0 0
M  V30 37 C 11.2583 -2.0 0.0 0
M  V30 38 C 1.732 -4.4999 0.0 0
M  V30 39 C 0.866 -3.0 0.0 0
M  V30 40 C 0.866 -5.0 0.0 0
M  V30 41 C 0.0 -3.5 0.0 0
M  V30 42 C 0.0 -4.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 4 2
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 4 7 CFG=3
M  V30 7 1 8 7
M  V30 8 1 8 9 CFG=1
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 2 10 12
M  V30 12 1 10 13
M  V30 13 2 11 14
M  V30 14 1 15 11
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 15 18 CFG=1
M  V30 18 1 15 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 21 24
M  V30 24 1 21 25
M  V30 25 1 22 26
M  V30 26 1 22 27
M  V30 27 2 23 28
M  V30 28 1 23 29
M  V30 29 2 25 30
M  V30 30 1 26 31
M  V30 31 1 27 32
M  V30 32 1 28 33
M  V30 33 2 29 34
M  V30 34 1 30 35
M  V30 35 1 31 36
M  V30 36 2 33 37
M  V30 37 2 35 38
M  V30 38 1 35 39
M  V30 39 1 38 40
M  V30 40 2 39 41
M  V30 41 2 40 42
M  V30 42 1 5 6
M  V30 43 1 32 36
M  V30 44 1 34 37
M  V30 45 1 41 42
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(3 4 8 15)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
11r

>  <name>
11r

>  <smiles>
O=C(N[C@H](C(C(NCc1ccccc1)=O)=O)C[C@@H]2CCNC2=O)[C@H](CC3CCCCC3)NC(/C=C/c4ccccc4)=O

$$$$
11s
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 39 42 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.1556 -3.6636 0.0 0
M  V30 2 C 7.8987 -2.9945 0.0 0
M  V30 3 N 8.8769 -3.2024 0.0 0
M  V30 4 C 7.7942 -2.0 0.0 0 CFG=1
M  V30 5 C 9.3769 -2.3364 0.0 0
M  V30 6 C 8.7077 -1.5932 0.0 0
M  V30 7 C 6.9282 -1.4999 0.0 0
M  V30 8 C 6.9282 -0.5 0.0 0 CFG=2
M  V30 9 N 6.0621 0.0 0.0 0
M  V30 10 C 7.7942 0.0 0.0 0
M  V30 11 C 5.1961 -0.5 0.0 0
M  V30 12 O 8.6602 -0.5 0.0 0
M  V30 13 C 7.7942 1.0 0.0 0
M  V30 14 O 5.1961 -1.4999 0.0 0
M  V30 15 C 4.3301 0.0 0.0 0 CFG=1
M  V30 16 O 6.9282 1.5 0.0 0
M  V30 17 N 8.6602 1.5 0.0 0
M  V30 18 N 4.3301 1.0 0.0 0
M  V30 19 C 3.4641 -0.5 0.0 0
M  V30 20 C 8.6602 2.5 0.0 0
M  V30 21 C 3.4641 1.5 0.0 0
M  V30 22 C 3.4641 -1.5 0.0 0
M  V30 23 C 9.5262 3.0 0.0 0
M  V30 24 O 2.598 1.0 0.0 0
M  V30 25 C 3.4641 2.5 0.0 0
M  V30 26 C 2.9641 -2.366 0.0 0
M  V30 27 C 3.9641 -2.366 0.0 0
M  V30 28 C 9.5262 4.0 0.0 0
M  V30 29 C 10.3923 2.5 0.0 0
M  V30 30 C 2.598 3.0 0.0 0
M  V30 31 C 10.3923 4.5 0.0 0
M  V30 32 C 11.2583 3.0 0.0 0
M  V30 33 C 2.598 4.0 0.0 0
M  V30 34 C 11.2583 4.0 0.0 0
M  V30 35 C 1.732 4.5 0.0 0
M  V30 36 C 3.4641 4.5 0.0 0
M  V30 37 C 1.732 5.5 0.0 0
M  V30 38 C 3.4641 5.5 0.0 0
M  V30 39 C 2.598 6.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 4 2
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 4 7 CFG=3
M  V30 7 1 8 7
M  V30 8 1 8 9 CFG=3
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 2 10 12
M  V30 12 1 10 13
M  V30 13 2 11 14
M  V30 14 1 15 11
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 15 18 CFG=3
M  V30 18 1 15 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 21 24
M  V30 24 1 21 25
M  V30 25 1 22 26
M  V30 26 1 22 27
M  V30 27 2 23 28
M  V30 28 1 23 29
M  V30 29 2 25 30
M  V30 30 1 28 31
M  V30 31 2 29 32
M  V30 32 1 30 33
M  V30 33 2 31 34
M  V30 34 2 33 35
M  V30 35 1 33 36
M  V30 36 1 35 37
M  V30 37 2 36 38
M  V30 38 2 37 39
M  V30 39 1 5 6
M  V30 40 1 26 27
M  V30 41 1 32 34
M  V30 42 1 38 39
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(3 4 8 15)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
11s

>  <name>
11s

>  <smiles>
O=C(N[C@H](C(C(NCc1ccccc1)=O)=O)C[C@@H]2CCNC2=O)[C@H](CC3CC3)NC(/C=C/c4ccccc4)=O

$$$$
ZINC000541677852
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 28 30 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.1385 -2.03 0.0 0
M  V30 2 C 5.8295 -2.981 0.0 0
M  V30 3 F 6.7806 -3.29 0.0 0
M  V30 4 F 5.5205 -3.9321 0.0 0
M  V30 5 C 4.8785 -2.672 0.0 0
M  V30 6 C 4.6705 -1.6939 0.0 0
M  V30 7 C 4.1353 -3.3411 0.0 0
M  V30 8 C 3.7195 -1.3848 0.0 0
M  V30 9 C 3.1843 -3.0321 0.0 0
M  V30 10 N 3.5116 -0.4067 0.0 0
M  V30 11 C 2.9763 -2.054 0.0 0
M  V30 12 N 4.1807 0.3364 0.0 0
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 C 3.6807 1.2024 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 2.7026 0.9945 0.0 0
M  V30 17 C 4.0874 2.1159 0.0 0
M  V30 18 C 0.866 0.0 0.0 0
M  V30 19 O 0.866 1.0 0.0 0
M  V30 20 C 0.0 -0.5 0.0 0
M  V30 21 C -0.866 0.0 0.0 0
M  V30 22 C 0.0 -1.4999 0.0 0
M  V30 23 C -1.732 -0.4999 0.0 0
M  V30 24 C -0.866 -1.9999 0.0 0
M  V30 25 O -2.598 0.0 0.0 0
M  V30 26 N -1.732 -1.4999 0.0 0
M  V30 27 C -0.866 -2.9999 0.0 0
M  V30 28 C 0.0 -3.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 1 8 10
M  V30 10 2 8 11
M  V30 11 1 10 12
M  V30 12 1 10 13
M  V30 13 1 12 14
M  V30 14 2 13 15 CFG=2
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 2 23 25
M  V30 25 1 23 26
M  V30 26 1 24 27
M  V30 27 1 27 28
M  V30 28 1 9 11
M  V30 29 2 14 16
M  V30 30 1 24 26
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000541677852

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)N=c1cc(C)[nH]n1-c1cccc(c1)C(F)(F)F

$$$$
ZINC001655436520
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 27 29 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 5.7451 1.299 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 F 7.7942 0.7499 0.0 0
M  V30 4 F 7.2451 -1.299 0.0 0
M  V30 5 C 5.1961 -0.75 0.0 0
M  V30 6 O 5.1961 -2.25 0.0 0
M  V30 7 C 3.8971 0.0 0.0 0
M  V30 8 N 2.598 -0.75 0.0 0
M  V30 9 C 3.8971 1.5 0.0 0
M  V30 10 C 1.299 0.0 0.0 0
M  V30 11 C 2.598 2.25 0.0 0
M  V30 12 C 0.0 -0.75 0.0 0
M  V30 13 C 2.598 3.75 0.0 0
M  V30 14 C 1.299 1.5 0.0 0
M  V30 15 N -1.299 0.0 0.0 0
M  V30 16 C 0.0 -2.2499 0.0 0
M  V30 17 C 1.299 4.5 0.0 0
M  V30 18 C 0.0 2.25 0.0 0
M  V30 19 C -2.598 -0.7499 0.0 0
M  V30 20 C -1.299 -2.9999 0.0 0
M  V30 21 C 0.0 3.75 0.0 0
M  V30 22 N -4.0246 -0.2864 0.0 0
M  V30 23 N -2.598 -2.2499 0.0 0
M  V30 24 O -1.299 -4.4999 0.0 0
M  V30 25 C -4.9063 -1.4999 0.0 0
M  V30 26 N -4.0246 -2.7135 0.0 0
M  V30 27 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 5 6
M  V30 6 1 5 7
M  V30 7 1 7 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 2 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 2 12 16
M  V30 16 1 13 17
M  V30 17 2 14 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 2 17 21
M  V30 21 2 19 22
M  V30 22 1 19 23
M  V30 23 2 20 24
M  V30 24 1 22 25
M  V30 25 1 23 26
M  V30 26 2 25 27
M  V30 27 1 18 21
M  V30 28 1 20 23
M  V30 29 1 25 26
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001655436520

>  <name>
NA

>  <smiles>
OC(C(Cc1ccccc1)NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)C(F)(F)F

$$$$
ZINC001218583693
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 27 29 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 7.7942 -0.75 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 C 9.0932 0.0 0.0 0
M  V30 4 N 6.4951 1.5 0.0 0
M  V30 5 N 5.1961 -0.7499 0.0 0
M  V30 6 C 5.1961 2.25 0.0 0
M  V30 7 C 3.8971 0.0 0.0 0
M  V30 8 O 5.1961 3.75 0.0 0
M  V30 9 C 3.8971 1.5 0.0 0
M  V30 10 N 2.598 -0.75 0.0 0
M  V30 11 C 1.299 0.0 0.0 0
M  V30 12 O 1.299 1.5 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 C -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.25 0.0 0
M  V30 16 C -2.598 -0.7499 0.0 0
M  V30 17 C -1.299 -3.0 0.0 0
M  V30 18 N -3.8971 0.0 0.0 0
M  V30 19 C -2.598 -2.2499 0.0 0
M  V30 20 C -3.8971 1.5 0.0 0
M  V30 21 O -2.598 2.25 0.0 0
M  V30 22 C -5.1961 2.25 0.0 0
M  V30 23 N -5.3529 3.7417 0.0 0
M  V30 24 C -6.5664 1.6398 0.0 0
M  V30 25 C -6.8201 4.0536 0.0 0
M  V30 26 C -7.5701 2.7546 0.0 0
M  V30 27 S -9.0619 2.5978 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 2 6 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 1 10 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 16 18
M  V30 18 2 16 19
M  V30 19 1 18 20
M  V30 20 2 20 21
M  V30 21 1 20 22
M  V30 22 1 22 23
M  V30 23 1 22 24
M  V30 24 1 23 25
M  V30 25 1 24 26
M  V30 26 1 26 27
M  V30 27 2 7 9
M  V30 28 1 17 19
M  V30 29 1 25 26
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001218583693

>  <name>
NA

>  <smiles>
CSc1nc(=O)cc(NC(=O)c2cccc(NC(=O)C3CC(S)CN3)c2)[nH]1

$$$$
ZINC000636416501
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 28 31 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 5.8295 -2.981 0.0 0
M  V30 2 C 4.8785 -2.672 0.0 0
M  V30 3 C 4.6705 -1.6939 0.0 0
M  V30 4 C 4.1353 -3.3411 0.0 0
M  V30 5 C 3.7195 -1.3848 0.0 0
M  V30 6 C 3.1843 -3.0321 0.0 0
M  V30 7 N 3.5116 -0.4067 0.0 0
M  V30 8 C 2.9763 -2.054 0.0 0
M  V30 9 N 4.1807 0.3364 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 C 3.6807 1.2024 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.7026 0.9945 0.0 0
M  V30 14 C 4.0874 2.1159 0.0 0
M  V30 15 C 0.866 0.0 0.0 0 CFG=1
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 1.0 0.0 0
M  V30 22 C -0.866 -1.9999 0.0 0
M  V30 23 N -1.732 -1.4999 0.0 0
M  V30 24 C -2.598 0.0 0.0 0
M  V30 25 C -1.732 1.5 0.0 0
M  V30 26 O -0.866 -2.9999 0.0 0
M  V30 27 C -2.598 1.0 0.0 0
M  V30 28 F -3.4641 1.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 7 10
M  V30 10 1 9 11
M  V30 11 2 10 12 CFG=2
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 1 15 12
M  V30 15 1 15 16 CFG=3
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 20 24
M  V30 24 2 21 25
M  V30 25 2 22 26
M  V30 26 2 24 27
M  V30 27 1 27 28
M  V30 28 1 6 8
M  V30 29 2 11 13
M  V30 30 1 22 23
M  V30 31 1 25 27
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 15)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000636416501

>  <name>
NA

>  <smiles>
Cc1cc(=NC(O)c2cc(=O)[nH]c3cc(F)ccc23)n([nH]1)-c1cccc(Cl)c1

$$$$
ZINC000543523838
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 5.8295 -2.981 0.0 0
M  V30 2 C 4.8785 -2.672 0.0 0
M  V30 3 C 4.6705 -1.6939 0.0 0
M  V30 4 C 4.1353 -3.3411 0.0 0
M  V30 5 C 3.7195 -1.3848 0.0 0
M  V30 6 C 3.1843 -3.0321 0.0 0
M  V30 7 N 3.5116 -0.4067 0.0 0
M  V30 8 C 2.9763 -2.054 0.0 0
M  V30 9 N 4.1807 0.3364 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 C 3.6807 1.2024 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.7026 0.9945 0.0 0
M  V30 14 C 4.0874 2.1159 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 O -2.598 0.0 0.0 0
M  V30 23 N -1.732 -1.4999 0.0 0
M  V30 24 C -0.866 -2.9999 0.0 0
M  V30 25 C 0.0 -3.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 7 10
M  V30 10 1 9 11
M  V30 11 2 10 12 CFG=2
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 21 24
M  V30 24 1 24 25
M  V30 25 1 6 8
M  V30 26 2 11 13
M  V30 27 1 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000543523838

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)N=c1cc(C)[nH]n1-c1cccc(Br)c1

$$$$
ZINC001186058814
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 27 29 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.8333 1.9478 0.0 0
M  V30 2 C 6.0902 1.2787 0.0 0
M  V30 3 N 6.2981 0.3006 0.0 0
M  V30 4 C 5.1391 1.5877 0.0 0
M  V30 5 N 4.3301 0.9999 0.0 0
M  V30 6 C 4.8301 2.5388 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 3.5211 1.5877 0.0 0
M  V30 9 C 3.8301 2.5388 0.0 0
M  V30 10 O 5.1961 -0.5 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 2.598 0.0 0.0 0
M  V30 13 C 3.4641 -1.5 0.0 0
M  V30 14 C 1.732 -0.5 0.0 0
M  V30 15 C 4.3301 -2.0 0.0 0
M  V30 16 O 0.866 0.0 0.0 0
M  V30 17 C 1.732 -1.5 0.0 0
M  V30 18 N 4.4346 -2.9945 0.0 0
M  V30 19 C 5.2436 -1.5932 0.0 0
M  V30 20 N 0.866 -2.0 0.0 0
M  V30 21 C 5.4128 -3.2024 0.0 0
M  V30 22 N 5.9128 -2.3364 0.0 0
M  V30 23 C 0.7614 -2.9945 0.0 0
M  V30 24 C -0.0475 -1.5932 0.0 0
M  V30 25 C -0.2166 -3.2024 0.0 0
M  V30 26 C -0.7166 -2.3364 0.0 0
M  V30 27 O -0.6233 -4.1159 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 4 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 2 7 10
M  V30 10 1 7 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 2 15 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 20 24
M  V30 24 1 23 25
M  V30 25 1 24 26
M  V30 26 1 25 27
M  V30 27 1 8 9
M  V30 28 1 21 22
M  V30 29 1 25 26
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001186058814

>  <name>
NA

>  <smiles>
NC(=O)C1CCCN1C(=O)C(Cc1c[nH]cn1)NC(=O)CN1CCC(O)C1

$$$$
ZINC001062595734
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 1.9884 -5.3006 0.0 0
M  V30 2 C 2.119 -4.3091 0.0 0
M  V30 3 N 3.0428 -3.9264 0.0 0
M  V30 4 C 1.3256 -3.7004 0.0 0
M  V30 5 C 3.1734 -2.935 0.0 0
M  V30 6 C 1.4561 -2.7089 0.0 0
M  V30 7 C 2.38 -2.3262 0.0 0
M  V30 8 C 4.0972 -2.5523 0.0 0
M  V30 9 C 0.6628 -2.1002 0.0 0
M  V30 10 C 4.2278 -1.5609 0.0 0
M  V30 11 O -0.261 -2.4828 0.0 0
M  V30 12 N 0.7933 -1.1087 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0
M  V30 14 C -0.9659 -0.2411 0.0 0
M  V30 15 C -0.2588 -1.4659 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C -1.2247 -1.2071 0.0 0
M  V30 18 N 1.732 -0.5 0.0 0
M  V30 19 C 2.598 0.0 0.0 0
M  V30 20 O 3.4641 -0.5 0.0 0
M  V30 21 C 2.598 1.0 0.0 0
M  V30 22 N 3.407 1.5877 0.0 0
M  V30 23 C 1.789 1.5877 0.0 0
M  V30 24 N 3.098 2.5388 0.0 0
M  V30 25 C 2.098 2.5388 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 2 21 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 2 23 25
M  V30 25 1 6 7
M  V30 26 1 15 17
M  V30 27 1 24 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001062595734

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CNC(=O)c2cc[nH]n2)CCC1

$$$$
ZINC000544491494
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 5.8295 -2.981 0.0 0
M  V30 2 C 4.8785 -2.672 0.0 0
M  V30 3 C 4.6705 -1.6939 0.0 0
M  V30 4 C 4.1353 -3.3411 0.0 0
M  V30 5 C 3.7195 -1.3848 0.0 0
M  V30 6 C 3.1843 -3.0321 0.0 0
M  V30 7 N 3.5116 -0.4067 0.0 0
M  V30 8 C 2.9763 -2.054 0.0 0
M  V30 9 N 4.1807 0.3364 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 C 3.6807 1.2024 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.7026 0.9945 0.0 0
M  V30 14 C 4.0874 2.1159 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 O -2.598 0.0 0.0 0
M  V30 23 N -1.732 -1.4999 0.0 0
M  V30 24 C -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 7 10
M  V30 10 1 9 11
M  V30 11 2 10 12 CFG=2
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 21 24
M  V30 24 1 6 8
M  V30 25 2 11 13
M  V30 26 1 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000544491494

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)N=c1cc(C)[nH]n1-c1cccc(Br)c1

$$$$
ZINC000373659060
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 28 31 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 9.0932 -3.0 0.0 0
M  V30 2 C 7.7942 -2.25 0.0 0
M  V30 3 C 7.7942 -0.75 0.0 0
M  V30 4 C 6.4951 -2.9999 0.0 0
M  V30 5 C 6.4951 0.0 0.0 0
M  V30 6 C 5.1961 -2.25 0.0 0
M  V30 7 N 6.4951 1.4999 0.0 0
M  V30 8 C 5.1961 -0.7499 0.0 0
M  V30 9 C 5.1961 2.25 0.0 0
M  V30 10 C 3.8971 0.0 0.0 0
M  V30 11 O 5.1961 3.75 0.0 0
M  V30 12 C 3.8971 1.4999 0.0 0
M  V30 13 C 2.598 -0.75 0.0 0 CFG=2
M  V30 14 O 2.598 -2.25 0.0 0
M  V30 15 N 1.299 0.0 0.0 0
M  V30 16 C 0.0 -0.75 0.0 0
M  V30 17 C -1.299 0.0 0.0 0
M  V30 18 C 0.0 -2.2499 0.0 0
M  V30 19 C -1.299 1.5 0.0 0
M  V30 20 C -2.598 -0.7499 0.0 0
M  V30 21 C -1.299 -2.9999 0.0 0
M  V30 22 C -0.0855 2.3816 0.0 0
M  V30 23 C -2.5125 2.3816 0.0 0
M  V30 24 C -2.598 -2.2499 0.0 0
M  V30 25 N -0.549 3.8082 0.0 0
M  V30 26 N -2.049 3.8082 0.0 0
M  V30 27 F -3.8971 -2.9999 0.0 0
M  V30 28 C -2.9307 5.0217 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 13 10
M  V30 13 1 13 14 CFG=3
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 2 19 23
M  V30 23 2 20 24
M  V30 24 2 22 25
M  V30 25 1 23 26
M  V30 26 1 24 27
M  V30 27 1 26 28
M  V30 28 1 6 8
M  V30 29 2 10 12
M  V30 30 1 21 24
M  V30 31 1 25 26
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000373659060

>  <name>
NA

>  <smiles>
Cn1cc(cn1)-c1cc(F)ccc1NC(O)c1cc(=O)[nH]c2cc(F)ccc12

$$$$
ZINC000452259570
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.5355 -4.5531 0.0 0
M  V30 2 C 2.5696 -4.2943 0.0 0
M  V30 3 F 2.3107 -5.2602 0.0 0
M  V30 4 F 1.6036 -4.0355 0.0 0
M  V30 5 O 2.8284 -3.3284 0.0 0
M  V30 6 C 2.1213 -2.6213 0.0 0
M  V30 7 C 2.3801 -1.6553 0.0 0
M  V30 8 C 1.1553 -2.8801 0.0 0
M  V30 9 C 1.673 -0.9482 0.0 0
M  V30 10 C 0.4482 -2.173 0.0 0
M  V30 11 C 0.7071 -1.2071 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 N 0.866 0.0 0.0 0
M  V30 14 C -1.0 -0.4999 0.0 0
M  V30 15 C -0.5 -1.366 0.0 0
M  V30 16 C 0.866 0.9999 0.0 0
M  V30 17 O 1.732 1.4999 0.0 0
M  V30 18 C 0.0 1.5 0.0 0
M  V30 19 C -0.866 1.0 0.0 0
M  V30 20 C 0.0 2.5 0.0 0
M  V30 21 C -1.732 1.4999 0.0 0
M  V30 22 C -0.866 2.9999 0.0 0
M  V30 23 O -2.598 1.0 0.0 0
M  V30 24 N -1.732 2.5 0.0 0
M  V30 25 C -0.866 4.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 5 6
M  V30 6 2 6 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 2 8 10
M  V30 10 2 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 21 24
M  V30 24 1 22 25
M  V30 25 1 10 11
M  V30 26 1 14 15
M  V30 27 1 22 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000452259570

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)NC1(CC1)c1ccc(OC(F)(F)F)cc1

$$$$
ZINC000571366263
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.8993 -1.8398 0.0 0
M  V30 2 C 3.3546 -2.6785 0.0 0
M  V30 3 F 4.1933 -3.2231 0.0 0
M  V30 4 F 2.81 -3.5172 0.0 0
M  V30 5 C 2.516 -2.1339 0.0 0
M  V30 6 C 2.5683 -1.1352 0.0 0
M  V30 7 C 1.625 -2.5879 0.0 0
M  V30 8 C 1.7296 -0.5906 0.0 0
M  V30 9 C 0.7863 -2.0432 0.0 0
M  V30 10 C 0.8386 -1.0446 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 N 0.866 0.0 0.0 0
M  V30 13 C -0.9135 -0.0932 0.0 0
M  V30 14 C -0.1045 -1.4945 0.0 0
M  V30 15 C 0.866 0.9999 0.0 0
M  V30 16 C -1.5826 -0.8364 0.0 0
M  V30 17 C -1.0826 -1.7024 0.0 0
M  V30 18 O 1.732 1.4999 0.0 0
M  V30 19 C 0.0 1.5 0.0 0
M  V30 20 C -0.866 1.0 0.0 0
M  V30 21 C 0.0 2.5 0.0 0
M  V30 22 C -1.732 1.4999 0.0 0
M  V30 23 C -0.866 2.9999 0.0 0
M  V30 24 O -2.598 1.0 0.0 0
M  V30 25 N -1.732 2.5 0.0 0
M  V30 26 C -0.866 4.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 15 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 1 22 25
M  V30 25 1 23 26
M  V30 26 1 9 10
M  V30 27 1 16 17
M  V30 28 1 23 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000571366263

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1ccc(cc1)C(F)(F)F

$$$$
ZINC001062522311
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 1.9884 -5.3006 0.0 0
M  V30 2 C 2.119 -4.3091 0.0 0
M  V30 3 N 3.0428 -3.9264 0.0 0
M  V30 4 C 1.3256 -3.7004 0.0 0
M  V30 5 C 3.1734 -2.935 0.0 0
M  V30 6 C 1.4561 -2.7089 0.0 0
M  V30 7 C 2.38 -2.3262 0.0 0
M  V30 8 C 4.0972 -2.5523 0.0 0
M  V30 9 C 0.6628 -2.1002 0.0 0
M  V30 10 C 4.2278 -1.5609 0.0 0
M  V30 11 O -0.261 -2.4828 0.0 0
M  V30 12 N 0.7933 -1.1087 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0
M  V30 14 C -0.9659 -0.2411 0.0 0
M  V30 15 C -0.2588 -1.4659 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C -1.2247 -1.2071 0.0 0
M  V30 18 N 1.732 -0.5 0.0 0
M  V30 19 C 2.598 0.0 0.0 0
M  V30 20 O 3.4641 -0.5 0.0 0
M  V30 21 C 2.598 1.0 0.0 0
M  V30 22 N 3.407 1.5877 0.0 0
M  V30 23 C 1.789 1.5877 0.0 0
M  V30 24 C 3.098 2.5388 0.0 0
M  V30 25 C 2.098 2.5388 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 2 21 23
M  V30 23 1 22 24
M  V30 24 1 23 25
M  V30 25 1 6 7
M  V30 26 1 15 17
M  V30 27 2 24 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001062522311

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CNC(=O)c2ccc[nH]2)CCC1

$$$$
ZINC000067726685
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 27 30 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.75 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 C 5.1961 2.25 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 5.1961 3.75 0.0 0
M  V30 9 C 2.598 -0.75 0.0 0 CFG=2
M  V30 10 C 2.598 2.25 0.0 0
M  V30 11 C 3.8971 4.5 0.0 0
M  V30 12 O 2.598 -2.25 0.0 0
M  V30 13 N 1.299 0.0 0.0 0
M  V30 14 C 2.598 3.7499 0.0 0
M  V30 15 C 0.0 -0.75 0.0 0
M  V30 16 C -0.0785 0.7479 0.0 0
M  V30 17 C -0.1567 -2.2417 0.0 0
M  V30 18 C -1.3703 -0.1398 0.0 0
M  V30 19 C -1.415 1.4289 0.0 0
M  V30 20 C 1.1795 1.5649 0.0 0
M  V30 21 C -1.624 -2.5536 0.0 0
M  V30 22 C -2.374 -1.2546 0.0 0
M  V30 23 C -1.4935 2.9268 0.0 0
M  V30 24 C 1.1009 3.0628 0.0 0
M  V30 25 C -0.2355 3.7438 0.0 0
M  V30 26 O -0.314 5.2417 0.0 0
M  V30 27 C 0.9439 6.0587 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 9 6
M  V30 9 1 7 10
M  V30 10 2 8 11
M  V30 11 1 9 12 CFG=3
M  V30 12 1 9 13
M  V30 13 2 10 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 1 16 20
M  V30 20 1 17 21
M  V30 21 1 18 22
M  V30 22 1 19 23
M  V30 23 2 20 24
M  V30 24 2 23 25
M  V30 25 1 25 26
M  V30 26 1 26 27
M  V30 27 1 6 7
M  V30 28 1 11 14
M  V30 29 1 21 22
M  V30 30 1 24 25
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000067726685

>  <name>
NA

>  <smiles>
COc1ccc(cc1)C1(CCCC1)NC(O)c1cc(=O)[nH]c2ccccc12

$$$$
ZINC000544491491
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 5.8295 -2.981 0.0 0
M  V30 2 C 4.8785 -2.672 0.0 0
M  V30 3 C 4.6705 -1.6939 0.0 0
M  V30 4 C 4.1353 -3.3411 0.0 0
M  V30 5 C 3.7195 -1.3848 0.0 0
M  V30 6 C 3.1843 -3.0321 0.0 0
M  V30 7 N 3.5116 -0.4067 0.0 0
M  V30 8 C 2.9763 -2.054 0.0 0
M  V30 9 N 4.1807 0.3364 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 C 3.6807 1.2024 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.7026 0.9945 0.0 0
M  V30 14 C 4.0874 2.1159 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 O -2.598 0.0 0.0 0
M  V30 23 N -1.732 -1.4999 0.0 0
M  V30 24 C -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 7 10
M  V30 10 1 9 11
M  V30 11 2 10 12 CFG=2
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 21 24
M  V30 24 1 6 8
M  V30 25 2 11 13
M  V30 26 1 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000544491491

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)N=c1cc(C)[nH]n1-c1cccc(Br)c1

$$$$
ZINC000911999327
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.4641 2.5 0.0 0
M  V30 2 C 3.4641 2.5 0.0 0
M  V30 3 F 3.4641 3.5 0.0 0
M  V30 4 F 4.4641 2.5 0.0 0
M  V30 5 C 3.4641 1.5 0.0 0
M  V30 6 C 2.598 1.0 0.0 0
M  V30 7 C 4.3301 1.0 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 C 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.4999 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0 CFG=1
M  V30 12 O 1.732 -1.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 O 0.866 1.0 0.0 0
M  V30 15 N 0.0 -0.5 0.0 0
M  V30 16 C -0.866 0.0 0.0 0
M  V30 17 C 0.0 -1.4999 0.0 0
M  V30 18 C -1.732 -0.4999 0.0 0
M  V30 19 C -0.1589 0.7071 0.0 0
M  V30 20 C -1.5731 0.7071 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 C -1.732 -1.4999 0.0 0
M  V30 23 C -0.866 1.4142 0.0 0
M  V30 24 O -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 11 8
M  V30 11 1 11 12 CFG=1
M  V30 12 1 11 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 1 16 20
M  V30 20 1 17 21
M  V30 21 1 18 22
M  V30 22 1 19 23
M  V30 23 2 22 24
M  V30 24 1 9 10
M  V30 25 1 20 23
M  V30 26 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000911999327

>  <name>
NA

>  <smiles>
OC(C(=O)N1CCC(=O)CC11CCC1)c1cccc(c1)C(F)(F)F

$$$$
ZINC000541676760
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 27 29 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.1385 -2.03 0.0 0
M  V30 2 C 5.8295 -2.981 0.0 0
M  V30 3 F 6.7806 -3.29 0.0 0
M  V30 4 F 5.5205 -3.9321 0.0 0
M  V30 5 C 4.8785 -2.672 0.0 0
M  V30 6 C 4.6705 -1.6939 0.0 0
M  V30 7 C 4.1353 -3.3411 0.0 0
M  V30 8 C 3.7195 -1.3848 0.0 0
M  V30 9 C 3.1843 -3.0321 0.0 0
M  V30 10 N 3.5116 -0.4067 0.0 0
M  V30 11 C 2.9763 -2.054 0.0 0
M  V30 12 N 4.1807 0.3364 0.0 0
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 C 3.6807 1.2024 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 2.7026 0.9945 0.0 0
M  V30 17 C 4.0874 2.1159 0.0 0
M  V30 18 C 0.866 0.0 0.0 0
M  V30 19 O 0.866 1.0 0.0 0
M  V30 20 C 0.0 -0.5 0.0 0
M  V30 21 C -0.866 0.0 0.0 0
M  V30 22 C 0.0 -1.4999 0.0 0
M  V30 23 C -1.732 -0.4999 0.0 0
M  V30 24 C -0.866 -1.9999 0.0 0
M  V30 25 O -2.598 0.0 0.0 0
M  V30 26 N -1.732 -1.4999 0.0 0
M  V30 27 C -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 1 8 10
M  V30 10 2 8 11
M  V30 11 1 10 12
M  V30 12 1 10 13
M  V30 13 1 12 14
M  V30 14 2 13 15 CFG=2
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 2 23 25
M  V30 25 1 23 26
M  V30 26 1 24 27
M  V30 27 1 9 11
M  V30 28 2 14 16
M  V30 29 1 24 26
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000541676760

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)N=c1cc(C)[nH]n1-c1cccc(c1)C(F)(F)F

$$$$
ZINC000543523837
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 5.8295 -2.981 0.0 0
M  V30 2 C 4.8785 -2.672 0.0 0
M  V30 3 C 4.6705 -1.6939 0.0 0
M  V30 4 C 4.1353 -3.3411 0.0 0
M  V30 5 C 3.7195 -1.3848 0.0 0
M  V30 6 C 3.1843 -3.0321 0.0 0
M  V30 7 N 3.5116 -0.4067 0.0 0
M  V30 8 C 2.9763 -2.054 0.0 0
M  V30 9 N 4.1807 0.3364 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 C 3.6807 1.2024 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.7026 0.9945 0.0 0
M  V30 14 C 4.0874 2.1159 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 O -2.598 0.0 0.0 0
M  V30 23 N -1.732 -1.4999 0.0 0
M  V30 24 C -0.866 -2.9999 0.0 0
M  V30 25 C 0.0 -3.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 7 10
M  V30 10 1 9 11
M  V30 11 2 10 12 CFG=2
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 21 24
M  V30 24 1 24 25
M  V30 25 1 6 8
M  V30 26 2 11 13
M  V30 27 1 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000543523837

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)N=c1cc(C)[nH]n1-c1cccc(Br)c1

$$$$
ZINC000504840908
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.8993 -1.8398 0.0 0
M  V30 2 C 3.3546 -2.6785 0.0 0
M  V30 3 F 4.1933 -3.2231 0.0 0
M  V30 4 F 2.81 -3.5172 0.0 0
M  V30 5 C 2.516 -2.1339 0.0 0
M  V30 6 C 2.5683 -1.1352 0.0 0
M  V30 7 C 1.625 -2.5879 0.0 0
M  V30 8 C 1.7296 -0.5906 0.0 0
M  V30 9 C 0.7863 -2.0432 0.0 0
M  V30 10 C 0.8386 -1.0446 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 N 0.866 0.0 0.0 0
M  V30 13 C -0.9135 -0.0932 0.0 0
M  V30 14 C -0.1045 -1.4945 0.0 0
M  V30 15 C 0.866 0.9999 0.0 0
M  V30 16 C -1.5826 -0.8364 0.0 0
M  V30 17 C -1.0826 -1.7024 0.0 0
M  V30 18 O 1.732 1.4999 0.0 0
M  V30 19 C 0.0 1.5 0.0 0 CFG=2
M  V30 20 C 0.0 2.5 0.0 0
M  V30 21 C -0.866 1.0 0.0 0
M  V30 22 C -0.866 3.0 0.0 0
M  V30 23 C -1.732 1.5 0.0 0
M  V30 24 O -0.866 4.0 0.0 0
M  V30 25 N -1.732 2.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 19 15 CFG=1
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 1 22 25
M  V30 25 1 9 10
M  V30 26 1 16 17
M  V30 27 1 23 25
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 19)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000504840908

>  <name>
NA

>  <smiles>
FC(F)(F)c1ccc(cc1)C1(CCCC1)NC(=O)C1CCNC(=O)C1

$$$$
ZINC001462418688
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 29 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 9.0932 -3.0 0.0 0
M  V30 2 C 7.7942 -2.25 0.0 0
M  V30 3 C 7.7942 -0.75 0.0 0
M  V30 4 C 6.4951 -2.9999 0.0 0
M  V30 5 C 6.4951 0.0 0.0 0
M  V30 6 C 5.1961 -2.25 0.0 0
M  V30 7 N 6.4951 1.4999 0.0 0
M  V30 8 C 5.1961 -0.7499 0.0 0
M  V30 9 C 5.1961 2.25 0.0 0
M  V30 10 C 3.8971 0.0 0.0 0
M  V30 11 O 5.1961 3.75 0.0 0
M  V30 12 C 3.8971 1.4999 0.0 0
M  V30 13 C 2.598 -0.75 0.0 0
M  V30 14 O 2.598 -2.25 0.0 0
M  V30 15 N 1.299 0.0 0.0 0
M  V30 16 C 0.0 -0.75 0.0 0
M  V30 17 C -1.299 0.0 0.0 0
M  V30 18 C 0.0 -2.2499 0.0 0
M  V30 19 C -2.598 -0.7499 0.0 0
M  V30 20 C -1.299 1.5 0.0 0
M  V30 21 F 1.299 -3.0 0.0 0
M  V30 22 C -1.299 -2.9999 0.0 0
M  V30 23 C -3.8971 0.0 0.0 0
M  V30 24 C -2.598 -2.2499 0.0 0
M  V30 25 C -2.598 2.25 0.0 0
M  V30 26 C -3.8971 1.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 18 22
M  V30 22 1 19 23
M  V30 23 1 19 24
M  V30 24 2 20 25
M  V30 25 2 23 26
M  V30 26 1 6 8
M  V30 27 2 10 12
M  V30 28 1 22 24
M  V30 29 1 25 26
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001462418688

>  <name>
NA

>  <smiles>
OC(NC1C(F)CCc2ccccc12)c1cc(=O)[nH]c2cc(F)ccc12

$$$$
ZINC001064295830
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 1.9884 -5.3006 0.0 0
M  V30 2 C 2.119 -4.3091 0.0 0
M  V30 3 N 3.0428 -3.9264 0.0 0
M  V30 4 C 1.3256 -3.7004 0.0 0
M  V30 5 C 3.1734 -2.935 0.0 0
M  V30 6 C 1.4561 -2.7089 0.0 0
M  V30 7 C 2.38 -2.3262 0.0 0
M  V30 8 C 4.0972 -2.5523 0.0 0
M  V30 9 C 0.6628 -2.1002 0.0 0
M  V30 10 C 4.2278 -1.5609 0.0 0
M  V30 11 O -0.261 -2.4828 0.0 0
M  V30 12 N 0.7933 -1.1087 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0
M  V30 14 C -0.9659 -0.2411 0.0 0
M  V30 15 C -0.2588 -1.4659 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C -1.2247 -1.2071 0.0 0
M  V30 18 N 0.866 0.9999 0.0 0
M  V30 19 C 1.732 1.4999 0.0 0
M  V30 20 O 2.598 0.9999 0.0 0
M  V30 21 C 1.732 2.4999 0.0 0
M  V30 22 O 2.598 3.0 0.0 0
M  V30 23 N 0.866 3.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 2 21 22
M  V30 22 1 21 23
M  V30 23 1 6 7
M  V30 24 1 15 17
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001064295830

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CNC(=O)C(N)=O)CCC1

$$$$
ZINC001481893831
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.3301 -2.9999 0.0 0
M  V30 2 C 4.3301 -1.9999 0.0 0
M  V30 3 C 5.1961 -1.5 0.0 0
M  V30 4 C 3.4641 -1.5 0.0 0
M  V30 5 N 5.1961 -0.5 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 N 1.732 -0.5 0.0 0
M  V30 10 C 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 N 0.8386 -1.0446 0.0 0
M  V30 13 C -0.9135 -0.0932 0.0 0
M  V30 14 C -0.1045 -1.4945 0.0 0
M  V30 15 C 0.7863 -2.0432 0.0 0
M  V30 16 C -1.5826 -0.8364 0.0 0
M  V30 17 C -1.0826 -1.7024 0.0 0
M  V30 18 O -0.1046 -2.4972 0.0 0
M  V30 19 C 1.625 -2.5879 0.0 0 CFG=2
M  V30 20 C 1.5726 -3.5865 0.0 0
M  V30 21 C 2.516 -2.1339 0.0 0
M  V30 22 C 2.4113 -4.1311 0.0 0
M  V30 23 C 3.3546 -2.6785 0.0 0
M  V30 24 O 2.359 -5.1298 0.0 0
M  V30 25 N 3.3023 -3.6771 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 6 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 19 15 CFG=1
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 1 22 25
M  V30 25 1 6 7
M  V30 26 1 16 17
M  V30 27 1 23 25
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 19)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001481893831

>  <name>
NA

>  <smiles>
Fc1cncc(CNCC2(CCCC2)NC(=O)C2CCNC(=O)C2)c1

$$$$
ZINC000544552415
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 3.9999 0.0 0
M  V30 2 C 2.598 2.9999 0.0 0
M  V30 3 N 3.4641 2.4999 0.0 0
M  V30 4 C 1.732 2.4999 0.0 0
M  V30 5 C 3.4641 1.4999 0.0 0
M  V30 6 C 1.732 1.4999 0.0 0
M  V30 7 C 2.598 0.9999 0.0 0
M  V30 8 C 4.3301 0.9999 0.0 0
M  V30 9 C 0.866 0.9999 0.0 0
M  V30 10 O 0.0 1.5 0.0 0
M  V30 11 N 0.866 0.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C 0.8386 -1.0446 0.0 0
M  V30 14 C -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 C 0.7863 -2.0432 0.0 0
M  V30 17 C 1.7296 -0.5906 0.0 0
M  V30 18 C -1.5826 -0.8364 0.0 0
M  V30 19 C -1.0826 -1.7024 0.0 0
M  V30 20 C 1.625 -2.5879 0.0 0
M  V30 21 C 2.5683 -1.1352 0.0 0
M  V30 22 C 2.516 -2.1339 0.0 0
M  V30 23 C 3.3546 -2.6785 0.0 0
M  V30 24 C 3.8993 -1.8398 0.0 0
M  V30 25 C 4.1933 -3.2231 0.0 0
M  V30 26 C 2.81 -3.5172 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 2 17 21
M  V30 21 2 20 22
M  V30 22 1 22 23
M  V30 23 1 23 24
M  V30 24 1 23 25
M  V30 25 1 23 26
M  V30 26 1 6 7
M  V30 27 1 18 19
M  V30 28 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000544552415

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1ccc(cc1)C(C)(C)C

$$$$
ZINC000152979101
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 5.8295 -2.981 0.0 0
M  V30 2 C 4.8785 -2.672 0.0 0
M  V30 3 C 4.6705 -1.6939 0.0 0
M  V30 4 C 4.1353 -3.3411 0.0 0
M  V30 5 C 3.7195 -1.3848 0.0 0
M  V30 6 C 3.1843 -3.0321 0.0 0
M  V30 7 N 3.5116 -0.4067 0.0 0
M  V30 8 C 2.9763 -2.054 0.0 0
M  V30 9 N 4.1807 0.3364 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 C 3.6807 1.2024 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.7026 0.9945 0.0 0
M  V30 14 C 4.0874 2.1159 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0 CFG=2
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 O -2.598 0.0 0.0 0
M  V30 23 N -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 7 10
M  V30 10 1 9 11
M  V30 11 2 10 12 CFG=2
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 2 15 16
M  V30 16 1 17 15 CFG=1
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 6 8
M  V30 24 2 11 13
M  V30 25 1 21 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 17)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000152979101

>  <name>
NA

>  <smiles>
Cc1cc(=NC(=O)C2CCNC(=O)C2)n([nH]1)-c1cccc(Br)c1

$$$$
ZINC001657931232
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 29 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 -2.9999 0.0 0
M  V30 2 C 4.3301 -1.9999 0.0 0
M  V30 3 N 5.1961 -1.4999 0.0 0
M  V30 4 C 3.4641 -1.4999 0.0 0
M  V30 5 N 6.1472 -1.809 0.0 0
M  V30 6 C 5.1961 -0.4999 0.0 0
M  V30 7 C 3.4641 -0.5 0.0 0
M  V30 8 C 6.7349 -0.9999 0.0 0
M  V30 9 N 6.1472 -0.1909 0.0 0
M  V30 10 N 4.3301 0.0 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 N 7.7349 -0.9999 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 0.866 0.0 0.0 0 CFG=2
M  V30 15 C 0.866 1.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 C 0.0 1.4999 0.0 0
M  V30 18 C 1.732 1.5 0.0 0
M  V30 19 C 0.0 2.4999 0.0 0
M  V30 20 C 1.732 2.5 0.0 0
M  V30 21 C 0.866 3.0 0.0 0
M  V30 22 C -0.7431 3.1691 0.0 0
M  V30 23 N 0.6581 3.9781 0.0 0
M  V30 24 C -0.3364 4.0826 0.0 0
M  V30 25 C 1.3272 4.7212 0.0 0
M  V30 26 O -0.8364 4.9487 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13 CFG=1
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 1 23 25
M  V30 25 1 24 26
M  V30 26 1 7 10
M  V30 27 1 8 9
M  V30 28 1 20 21
M  V30 29 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001657931232

>  <name>
NA

>  <smiles>
CC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccc2n(C)c(O)cc2c1

$$$$
ZINC000452260308
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.5355 -4.5531 0.0 0
M  V30 2 C 2.5696 -4.2943 0.0 0
M  V30 3 F 2.3107 -5.2602 0.0 0
M  V30 4 F 1.6036 -4.0355 0.0 0
M  V30 5 O 2.8284 -3.3284 0.0 0
M  V30 6 C 2.1213 -2.6213 0.0 0
M  V30 7 C 2.3801 -1.6553 0.0 0
M  V30 8 C 1.1553 -2.8801 0.0 0
M  V30 9 C 1.673 -0.9482 0.0 0
M  V30 10 C 0.4482 -2.173 0.0 0
M  V30 11 C 0.7071 -1.2071 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 N 0.866 0.0 0.0 0
M  V30 14 C -1.0 -0.4999 0.0 0
M  V30 15 C -0.5 -1.366 0.0 0
M  V30 16 C 0.866 0.9999 0.0 0
M  V30 17 O 1.732 1.4999 0.0 0
M  V30 18 C 0.0 1.5 0.0 0
M  V30 19 C -0.866 1.0 0.0 0
M  V30 20 C 0.0 2.4999 0.0 0
M  V30 21 C -1.732 1.5 0.0 0
M  V30 22 C -0.866 3.0 0.0 0
M  V30 23 O -2.598 1.0 0.0 0
M  V30 24 N -1.732 2.5 0.0 0
M  V30 25 C -0.866 4.0 0.0 0
M  V30 26 C 0.0 4.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 5 6
M  V30 6 2 6 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 2 8 10
M  V30 10 2 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 21 24
M  V30 24 1 22 25
M  V30 25 1 25 26
M  V30 26 1 10 11
M  V30 27 1 14 15
M  V30 28 1 22 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000452260308

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CC1)c1ccc(OC(F)(F)F)cc1

$$$$
ZINC000564633053
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 12.9015 0.7499 0.0 0
M  V30 2 C 11.4015 0.7499 0.0 0
M  V30 3 N 10.5198 1.9635 0.0 0
M  V30 4 N 10.5198 -0.4635 0.0 0
M  V30 5 C 9.0932 1.5 0.0 0
M  V30 6 C 10.9833 3.3901 0.0 0
M  V30 7 C 9.0932 0.0 0.0 0
M  V30 8 C 10.9833 -1.8901 0.0 0
M  V30 9 C 7.7942 2.2499 0.0 0
M  V30 10 C 7.7942 -0.75 0.0 0
M  V30 11 C 6.4951 1.4999 0.0 0
M  V30 12 C 6.4951 0.0 0.0 0
M  V30 13 O 5.1961 2.25 0.0 0
M  V30 14 N 5.1961 -0.75 0.0 0
M  V30 15 C 3.8971 0.0 0.0 0
M  V30 16 O 3.8971 1.5 0.0 0
M  V30 17 C 2.598 -0.75 0.0 0
M  V30 18 C 1.299 0.0 0.0 0
M  V30 19 C 0.0 -0.75 0.0 0 CFG=2
M  V30 20 N -1.3703 -0.1398 0.0 0
M  V30 21 C -0.1567 -2.2417 0.0 0
M  V30 22 C 1.258 -1.5669 0.0 0
M  V30 23 C -2.374 -1.2546 0.0 0
M  V30 24 C -1.624 -2.5536 0.0 0
M  V30 25 O -3.8657 -1.0978 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 1 19 18
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 1 19 22 CFG=3
M  V30 22 1 20 23
M  V30 23 1 21 24
M  V30 24 2 23 25
M  V30 25 2 5 7
M  V30 26 1 11 12
M  V30 27 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 19)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000564633053

>  <name>
NA

>  <smiles>
Cn1c2cc(O)c(NC(=O)CCC3(C)CCC(=O)N3)cc2n(C)c1=O

$$$$
ZINC000621286015
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 27 29 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 10.5932 -4.5 0.0 0
M  V30 2 C 9.0932 -4.5 0.0 0
M  V30 3 F 9.0932 -6.0 0.0 0
M  V30 4 F 7.5932 -4.5 0.0 0
M  V30 5 O 9.0932 -3.0 0.0 0
M  V30 6 C 7.7942 -2.25 0.0 0
M  V30 7 C 7.7942 -0.75 0.0 0
M  V30 8 C 6.4952 -3.0 0.0 0
M  V30 9 C 6.4952 0.0 0.0 0
M  V30 10 C 5.1961 -2.25 0.0 0
M  V30 11 C 5.1961 -0.75 0.0 0
M  V30 12 C 3.8971 0.0 0.0 0
M  V30 13 N 2.598 -0.75 0.0 0
M  V30 14 C 4.6471 1.299 0.0 0
M  V30 15 C 3.1471 1.299 0.0 0
M  V30 16 C 1.299 0.0 0.0 0
M  V30 17 C 0.0 -0.75 0.0 0
M  V30 18 N -1.299 0.0 0.0 0
M  V30 19 C 0.0 -2.25 0.0 0
M  V30 20 C -2.598 -0.75 0.0 0
M  V30 21 C -1.299 -3.0 0.0 0
M  V30 22 N -4.0246 -0.2864 0.0 0
M  V30 23 N -2.598 -2.25 0.0 0
M  V30 24 O -1.299 -4.5 0.0 0
M  V30 25 C -4.9063 -1.5 0.0 0
M  V30 26 N -4.0246 -2.7135 0.0 0
M  V30 27 N -6.4063 -1.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 5 6
M  V30 6 2 6 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 2 8 10
M  V30 10 2 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 2 21 24
M  V30 24 1 22 25
M  V30 25 1 23 26
M  V30 26 2 25 27
M  V30 27 1 10 11
M  V30 28 1 21 23
M  V30 29 1 25 26
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000621286015

>  <name>
NA

>  <smiles>
CC(C)(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccc(OC(F)(F)F)cc1

$$$$
ZINC001063672223
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.9535 -2.6159 0.0 0
M  V30 2 C 4.5467 -1.7024 0.0 0
M  V30 3 C 5.0467 -0.8364 0.0 0
M  V30 4 C 3.5686 -1.4945 0.0 0
M  V30 5 N 4.3776 -0.0932 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0
M  V30 7 C 2.598 0.0 0.0 0
M  V30 8 O 2.598 1.0 0.0 0
M  V30 9 N 1.732 -0.5 0.0 0
M  V30 10 C 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 N 0.7933 -1.1087 0.0 0
M  V30 13 C -0.9659 -0.2411 0.0 0
M  V30 14 C -0.2588 -1.4659 0.0 0
M  V30 15 C 0.6628 -2.1002 0.0 0
M  V30 16 C -1.2247 -1.2071 0.0 0
M  V30 17 O -0.261 -2.4828 0.0 0
M  V30 18 C 1.4561 -2.7089 0.0 0 CFG=2
M  V30 19 C 1.3256 -3.7004 0.0 0
M  V30 20 C 2.38 -2.3262 0.0 0
M  V30 21 C 2.119 -4.3091 0.0 0
M  V30 22 C 3.1734 -2.935 0.0 0
M  V30 23 O 1.9884 -5.3006 0.0 0
M  V30 24 N 3.0428 -3.9264 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 2 15 17
M  V30 17 1 18 15 CFG=1
M  V30 18 1 18 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 21 24
M  V30 24 1 5 6
M  V30 25 1 14 16
M  V30 26 1 22 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 18)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001063672223

>  <name>
NA

>  <smiles>
Fc1c[nH]c(c1)C(=O)NCC1(CCC1)NC(=O)C1CCNC(=O)C1

$$$$
ZINC000348735986
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.3432 -4.3193 0.0 0
M  V30 2 C 4.1353 -3.3411 0.0 0
M  V30 3 C 4.8785 -2.672 0.0 0
M  V30 4 C 3.1843 -3.0321 0.0 0
M  V30 5 C 4.6705 -1.6939 0.0 0
M  V30 6 C 2.9763 -2.054 0.0 0
M  V30 7 C 3.7195 -1.3848 0.0 0
M  V30 8 N 3.5116 -0.4067 0.0 0
M  V30 9 N 4.1807 0.3364 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 C 3.6807 1.2024 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.7026 0.9945 0.0 0
M  V30 14 C 4.0874 2.1159 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 O -2.598 0.0 0.0 0
M  V30 23 N -1.732 -1.4999 0.0 0
M  V30 24 C -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 2 10 12 CFG=2
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 21 24
M  V30 24 1 6 7
M  V30 25 2 11 13
M  V30 26 1 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000348735986

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)N=c1cc(C)[nH]n1-c1ccc(F)cc1

$$$$
ZINC000542654024
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 -2.9999 0.0 0
M  V30 2 C 4.3301 -1.9999 0.0 0
M  V30 3 N 5.1961 -1.5 0.0 0
M  V30 4 C 3.4641 -1.5 0.0 0
M  V30 5 C 5.1961 -0.5 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 C 2.598 0.0 0.0 0
M  V30 10 C 6.0621 0.9999 0.0 0
M  V30 11 O 2.598 1.0 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 C 0.866 1.0 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 C 1.732 1.5 0.0 0
M  V30 17 C 0.0 1.4999 0.0 0
M  V30 18 C 1.732 2.4999 0.0 0
M  V30 19 C 0.0 2.4999 0.0 0
M  V30 20 O 2.598 2.9999 0.0 0
M  V30 21 C 0.866 2.9999 0.0 0
M  V30 22 C 2.598 3.9999 0.0 0
M  V30 23 O 0.866 3.9999 0.0 0
M  V30 24 C 0.0 4.5 0.0 0
M  V30 25 C 0.0 5.4999 0.0 0
M  V30 26 O -0.866 5.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 2 18 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 23 24
M  V30 24 1 24 25
M  V30 25 1 25 26
M  V30 26 1 6 7
M  V30 27 1 19 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000542654024

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC(C)c1ccc(OCCO)c(OC)c1

$$$$
ZINC000680345155
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.75 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 C 5.1961 2.25 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 5.1961 3.75 0.0 0
M  V30 9 C 2.598 -0.75 0.0 0
M  V30 10 C 3.8971 4.5 0.0 0
M  V30 11 O 2.598 -2.25 0.0 0
M  V30 12 N 1.299 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 N -1.3703 -0.1398 0.0 0
M  V30 15 N -0.1567 -2.2417 0.0 0
M  V30 16 N -2.374 -1.2546 0.0 0
M  V30 17 C -1.6821 1.3273 0.0 0
M  V30 18 C -1.624 -2.5536 0.0 0
M  V30 19 C -0.5674 2.331 0.0 0
M  V30 20 C -3.1087 1.7908 0.0 0
M  V30 21 C -2.2341 -3.9239 0.0 0
M  V30 22 C -0.8793 3.7982 0.0 0
M  V30 23 C -3.4206 3.258 0.0 0
M  V30 24 C -2.3059 4.2617 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 2 12 13 CFG=2
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 2 22 24
M  V30 24 1 6 7
M  V30 25 2 16 18
M  V30 26 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000680345155

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)N=c1[nH]c(C)nn1-c1ccccc1

$$$$
ZINC001082948192
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.3033 3.5477 0.0 0
M  V30 2 C 6.5601 2.8786 0.0 0
M  V30 3 N 5.582 3.0865 0.0 0
M  V30 4 N 6.6646 1.884 0.0 0
M  V30 5 C 5.082 2.2205 0.0 0
M  V30 6 C 5.1752 4.0 0.0 0
M  V30 7 C 5.7511 1.4773 0.0 0
M  V30 8 C 7.5307 1.384 0.0 0
M  V30 9 C 4.0874 2.1159 0.0 0
M  V30 10 O 3.4997 2.9249 0.0 0
M  V30 11 N 3.6807 1.2024 0.0 0
M  V30 12 C 2.7026 0.9945 0.0 0
M  V30 13 C 4.1807 0.3364 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 C 3.5116 -0.4067 0.0 0
M  V30 16 N 1.732 -0.5 0.0 0
M  V30 17 C 3.7195 -1.3848 0.0 0
M  V30 18 C 0.866 0.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 C -0.866 0.0 0.0 0
M  V30 21 C 0.0 -1.4999 0.0 0
M  V30 22 C -1.732 -0.4999 0.0 0
M  V30 23 C -0.866 -1.9999 0.0 0
M  V30 24 C -1.732 -1.4999 0.0 0
M  V30 25 C -2.598 -1.9999 0.0 0
M  V30 26 O -2.598 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 2 22 24
M  V30 24 1 24 25
M  V30 25 1 25 26
M  V30 26 2 5 7
M  V30 27 1 14 15
M  V30 28 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001082948192

>  <name>
NA

>  <smiles>
CC1CN(CC1NCc1ccc(CO)cc1)C(=O)c1cn(C)c(=O)n1C

$$$$
ZINC001120895954
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 -0.5 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 N 3.4641 -0.5 0.0 0
M  V30 4 N 4.3301 1.0 0.0 0
M  V30 5 C 2.598 0.0 0.0 0
M  V30 6 O 2.598 1.0 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 N 0.866 0.0 0.0 0
M  V30 9 C 0.0 -0.5 0.0 0
M  V30 10 C -0.9659 -0.2411 0.0 0
M  V30 11 C -0.2588 -1.4659 0.0 0
M  V30 12 C -1.2247 -1.2071 0.0 0
M  V30 13 C -2.1906 -0.9482 0.0 0
M  V30 14 C -1.4835 -2.173 0.0 0
M  V30 15 C -2.4494 -1.9142 0.0 0
M  V30 16 N -3.3155 -2.4142 0.0 0
M  V30 17 C -4.1815 -1.9142 0.0 0
M  V30 18 O -4.1815 -0.9142 0.0 0
M  V30 19 C -5.0475 -2.4142 0.0 0
M  V30 20 N -5.9611 -2.0074 0.0 0
M  V30 21 C -5.152 -3.4087 0.0 0
M  V30 22 C -6.6302 -2.7506 0.0 0
M  V30 23 C -6.1302 -3.6166 0.0 0
M  V30 24 C -6.5369 -4.5301 0.0 0
M  V30 25 N -6.9437 -5.4437 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 2 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 23 24
M  V30 24 3 24 25
M  V30 25 1 11 12
M  V30 26 1 14 15
M  V30 27 2 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001120895954

>  <name>
NA

>  <smiles>
NC(=O)NC(=O)CNC1CC2(C1)CC(C2)NC(=O)c1cc(c[nH]1)C#N

$$$$
ZINC001221348063
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 -2.25 0.0 0
M  V30 2 C 5.1961 -0.75 0.0 0
M  V30 3 N 3.8971 0.0 0.0 0
M  V30 4 C 6.4951 0.0 0.0 0
M  V30 5 C 2.598 -0.75 0.0 0
M  V30 6 N 6.6519 1.4917 0.0 0
M  V30 7 C 7.8655 -0.6101 0.0 0
M  V30 8 C 2.598 -2.25 0.0 0
M  V30 9 C 1.299 0.0 0.0 0
M  V30 10 C 8.1192 1.8036 0.0 0
M  V30 11 C 8.8692 0.5046 0.0 0
M  V30 12 O 3.8971 -2.9999 0.0 0
M  V30 13 N 1.299 -3.0 0.0 0
M  V30 14 C 1.299 1.4999 0.0 0
M  V30 15 O 10.3609 0.3478 0.0 0
M  V30 16 C 1.1422 -4.4917 0.0 0
M  V30 17 C -0.0712 -2.3898 0.0 0
M  V30 18 N 0.0855 2.3816 0.0 0
M  V30 19 C 2.5125 2.3816 0.0 0
M  V30 20 C 2.2569 -5.4954 0.0 0
M  V30 21 C -0.3249 -4.8036 0.0 0
M  V30 22 C -1.0749 -3.5046 0.0 0
M  V30 23 C 0.549 3.8082 0.0 0
M  V30 24 N 2.049 3.8082 0.0 0
M  V30 25 O 3.6835 -5.0319 0.0 0
M  V30 26 N 1.945 -6.9627 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 8 13
M  V30 13 1 9 14
M  V30 14 1 11 15
M  V30 15 1 13 16
M  V30 16 1 13 17
M  V30 17 1 14 18
M  V30 18 2 14 19
M  V30 19 1 16 20
M  V30 20 1 16 21
M  V30 21 1 17 22
M  V30 22 2 18 23
M  V30 23 1 19 24
M  V30 24 2 20 25
M  V30 25 1 20 26
M  V30 26 1 10 11
M  V30 27 1 21 22
M  V30 28 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001221348063

>  <name>
NA

>  <smiles>
NC(=O)C1CCCN1C(=O)C(Cc1c[nH]cn1)NC(=O)C1CC(O)CN1

$$$$
ZINC000542648459
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F -0.157 -3.7458 0.0 0
M  V30 2 C 1.1795 -3.0649 0.0 0
M  V30 3 C 1.258 -1.5669 0.0 0
M  V30 4 C 2.4375 -3.8818 0.0 0
M  V30 5 C 2.5945 -0.8859 0.0 0
M  V30 6 C 0.0 -0.75 0.0 0
M  V30 7 C 3.774 -3.2008 0.0 0
M  V30 8 C 3.8525 -1.7029 0.0 0
M  V30 9 N 1.299 0.0 0.0 0
M  V30 10 C -1.3703 -0.1398 0.0 0
M  V30 11 C -0.1567 -2.2417 0.0 0
M  V30 12 F 5.032 -4.0178 0.0 0
M  V30 13 C 1.299 1.4999 0.0 0
M  V30 14 C -2.374 -1.2546 0.0 0
M  V30 15 C -1.624 -2.5536 0.0 0
M  V30 16 O 2.598 2.2499 0.0 0
M  V30 17 C 0.0 2.25 0.0 0
M  V30 18 C -1.299 1.5 0.0 0
M  V30 19 C 0.0 3.75 0.0 0
M  V30 20 C -2.598 2.25 0.0 0
M  V30 21 C -1.299 4.5 0.0 0
M  V30 22 O -3.8971 1.5 0.0 0
M  V30 23 N -2.598 3.75 0.0 0
M  V30 24 C -1.299 6.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 6 11
M  V30 11 1 7 12
M  V30 12 1 9 13
M  V30 13 1 10 14
M  V30 14 1 11 15
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 21 24
M  V30 24 1 7 8
M  V30 25 1 14 15
M  V30 26 1 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000542648459

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1ccc(F)cc1F

$$$$
ZINC000418171491
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.638 2.4581 0.0 0
M  V30 2 C 3.3071 3.2012 0.0 0
M  V30 3 F 2.564 3.8704 0.0 0
M  V30 4 F 3.9763 3.9444 0.0 0
M  V30 5 C 4.0503 2.5321 0.0 0
M  V30 6 C 3.8424 1.554 0.0 0
M  V30 7 C 5.0013 2.8411 0.0 0
M  V30 8 C 4.5855 0.8848 0.0 0
M  V30 9 C 5.7445 2.172 0.0 0
M  V30 10 C 5.5366 1.1939 0.0 0
M  V30 11 C 4.3776 -0.0932 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0
M  V30 13 C 5.0467 -0.8364 0.0 0
M  V30 14 N 2.598 0.0 0.0 0
M  V30 15 C 3.5686 -1.4945 0.0 0
M  V30 16 C 4.5467 -1.7024 0.0 0
M  V30 17 C 1.732 -0.5 0.0 0
M  V30 18 O 1.732 -1.5 0.0 0
M  V30 19 N 0.866 0.0 0.0 0
M  V30 20 C 0.0 -0.5 0.0 0
M  V30 21 C -0.866 0.0 0.0 0
M  V30 22 C 0.0 -1.4999 0.0 0
M  V30 23 C -1.732 -0.4999 0.0 0
M  V30 24 C -0.866 -1.9999 0.0 0
M  V30 25 C -1.732 -1.4999 0.0 0
M  V30 26 N -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 23 25
M  V30 25 1 25 26
M  V30 26 1 9 10
M  V30 27 1 15 16
M  V30 28 1 24 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000418171491

>  <name>
NA

>  <smiles>
NC1CCC(CC1)NC(=O)NC1CCCC1c1cccc(c1)C(F)(F)F

$$$$
ZINC001363793980
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.598 -0.75 0.0 0
M  V30 2 C 1.299 0.0 0.0 0
M  V30 3 F 1.299 1.5 0.0 0
M  V30 4 C 0.0 -0.75 0.0 0 CFG=1
M  V30 5 O 1.258 -1.5669 0.0 0
M  V30 6 C -1.3703 -0.1398 0.0 0
M  V30 7 C -0.1567 -2.2417 0.0 0
M  V30 8 N -2.374 -1.2546 0.0 0
M  V30 9 C -1.624 -2.5536 0.0 0
M  V30 10 C -3.8657 -1.0978 0.0 0
M  V30 11 C -4.7474 -2.3113 0.0 0
M  V30 12 N -6.2392 -2.1545 0.0 0
M  V30 13 C -4.1373 -3.6816 0.0 0
M  V30 14 C -7.1209 -3.368 0.0 0
M  V30 15 C -5.019 -4.8951 0.0 0
M  V30 16 N -8.6127 -3.5248 0.0 0
M  V30 17 N -6.5108 -4.7383 0.0 0
M  V30 18 O -4.4089 -6.2655 0.0 0
M  V30 19 C -8.9245 -4.992 0.0 0
M  V30 20 N -7.6255 -5.742 0.0 0
M  V30 21 N -10.2949 -5.6021 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 4 2
M  V30 4 1 4 5 CFG=1
M  V30 5 1 4 6
M  V30 6 1 4 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 2 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 2 19 21
M  V30 21 1 8 9
M  V30 22 1 15 17
M  V30 23 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 4)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001363793980

>  <name>
NA

>  <smiles>
OC1(CCN(Cc2cc(=O)n3[nH]c(=N)nc3[nH]2)C1)C(F)F

$$$$
ZINC000239352721
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 29 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.75 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 C 5.1961 2.25 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 5.1961 3.75 0.0 0
M  V30 9 C 2.598 -0.75 0.0 0
M  V30 10 C 2.598 2.25 0.0 0
M  V30 11 C 3.8971 4.5 0.0 0
M  V30 12 O 2.598 -2.25 0.0 0
M  V30 13 N 1.299 0.0 0.0 0
M  V30 14 C 2.598 3.7499 0.0 0
M  V30 15 C 0.0 -0.75 0.0 0
M  V30 16 C -1.3703 -0.1398 0.0 0
M  V30 17 C -0.1567 -2.2417 0.0 0
M  V30 18 C -2.374 -1.2546 0.0 0
M  V30 19 C -1.6821 1.3273 0.0 0
M  V30 20 C -1.624 -2.5536 0.0 0
M  V30 21 C -3.1087 1.7908 0.0 0
M  V30 22 C -3.4206 3.258 0.0 0
M  V30 23 C -4.2234 0.7871 0.0 0
M  V30 24 C -4.8472 3.7215 0.0 0
M  V30 25 C -5.65 1.2506 0.0 0
M  V30 26 C -5.9619 2.7179 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 2 8 11
M  V30 11 1 9 12
M  V30 12 1 9 13
M  V30 13 2 10 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 19 21
M  V30 21 2 21 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 2 23 25
M  V30 25 2 24 26
M  V30 26 1 6 7
M  V30 27 1 11 14
M  V30 28 1 18 20
M  V30 29 1 25 26
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000239352721

>  <name>
NA

>  <smiles>
OC(NC1CCCC1Cc1ccccc1)c1cc(=O)[nH]c2ccccc12

$$$$
ZINC001644641478
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 29 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 9.0932 0.0 0.0 0
M  V30 2 C 7.7942 -0.7499 0.0 0
M  V30 3 N 7.7942 -2.2499 0.0 0
M  V30 4 C 6.4951 0.0 0.0 0
M  V30 5 N 8.9089 -3.2536 0.0 0
M  V30 6 C 6.4951 -2.9999 0.0 0
M  V30 7 C 5.1961 -0.75 0.0 0
M  V30 8 C 8.2988 -4.624 0.0 0
M  V30 9 N 6.807 -4.4672 0.0 0
M  V30 10 N 5.1961 -2.25 0.0 0
M  V30 11 C 3.8971 0.0 0.0 0
M  V30 12 N 9.0488 -5.923 0.0 0
M  V30 13 N 2.598 -0.75 0.0 0
M  V30 14 C 2.598 -2.25 0.0 0
M  V30 15 C 1.299 0.0 0.0 0
M  V30 16 C 1.299 -3.0 0.0 0
M  V30 17 C 1.299 1.4999 0.0 0
M  V30 18 C 1.299 -4.5 0.0 0
M  V30 19 C 0.0 -2.25 0.0 0
M  V30 20 N 0.0855 2.3816 0.0 0
M  V30 21 C 2.5125 2.3816 0.0 0
M  V30 22 C 0.0 -5.25 0.0 0
M  V30 23 C -1.299 -3.0 0.0 0
M  V30 24 N 0.549 3.8082 0.0 0
M  V30 25 C 2.049 3.8082 0.0 0
M  V30 26 C -1.299 -4.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 17 21
M  V30 21 1 18 22
M  V30 22 2 19 23
M  V30 23 1 20 24
M  V30 24 2 21 25
M  V30 25 2 22 26
M  V30 26 1 7 10
M  V30 27 1 8 9
M  V30 28 1 23 26
M  V30 29 1 24 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001644641478

>  <name>
NA

>  <smiles>
N=c1nc2[nH]c(CN(Cc3cc[nH]n3)Cc3ccccc3)cc(=O)n2[nH]1

$$$$
ZINC001495146430
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.2456 -2.2245 0.0 0
M  V30 2 C 3.3546 -2.6785 0.0 0
M  V30 3 N 3.3023 -3.6771 0.0 0
M  V30 4 C 2.516 -2.1339 0.0 0
M  V30 5 C 2.4113 -4.1311 0.0 0
M  V30 6 C 1.625 -2.5879 0.0 0 CFG=2
M  V30 7 C 1.5726 -3.5865 0.0 0
M  V30 8 C 0.7863 -2.0432 0.0 0
M  V30 9 O -0.1046 -2.4972 0.0 0
M  V30 10 N 0.8386 -1.0446 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C -0.9135 -0.0932 0.0 0
M  V30 13 C -0.1045 -1.4945 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C -1.5826 -0.8364 0.0 0
M  V30 16 C -1.0826 -1.7024 0.0 0
M  V30 17 N 0.866 0.9999 0.0 0
M  V30 18 C 1.732 1.4999 0.0 0
M  V30 19 C 1.732 2.4999 0.0 0
M  V30 20 C 0.866 3.0 0.0 0
M  V30 21 C 2.598 2.9999 0.0 0
M  V30 22 C 0.866 3.9999 0.0 0
M  V30 23 C 0.0 2.4999 0.0 0
M  V30 24 C 2.598 3.9999 0.0 0
M  V30 25 C 1.732 4.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 1 5 7
M  V30 7 1 6 8 CFG=3
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 20 23
M  V30 23 2 21 24
M  V30 24 2 22 25
M  V30 25 1 6 7
M  V30 26 1 15 16
M  V30 27 1 24 25
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001495146430

>  <name>
NA

>  <smiles>
Cc1ccccc1CNCC1(CCCC1)NC(=O)C1CCNC(=O)C1

$$$$
ZINC000329653886
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 -0.5 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 N 4.3301 1.0 0.0 0
M  V30 4 C 3.4641 -0.4999 0.0 0
M  V30 5 C 3.4641 1.5 0.0 0
M  V30 6 C 2.598 0.0 0.0 0
M  V30 7 C 2.598 1.0 0.0 0
M  V30 8 C 3.4641 2.5 0.0 0
M  V30 9 C 1.732 -0.5 0.0 0
M  V30 10 O 1.732 -1.5 0.0 0
M  V30 11 N 0.866 0.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C -0.9135 -0.0932 0.0 0
M  V30 14 C -0.1045 -1.4945 0.0 0
M  V30 15 N -1.5826 -0.8364 0.0 0
M  V30 16 C -1.1214 0.8848 0.0 0
M  V30 17 N -1.0826 -1.7024 0.0 0
M  V30 18 C -0.3783 1.554 0.0 0
M  V30 19 C -2.0725 1.1939 0.0 0
M  V30 20 C -1.4894 -2.6159 0.0 0
M  V30 21 C -0.5862 2.5321 0.0 0
M  V30 22 C -2.2804 2.172 0.0 0
M  V30 23 C -1.5372 2.8411 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 2 12 14
M  V30 14 2 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 2 21 23
M  V30 23 1 6 7
M  V30 24 1 15 17
M  V30 25 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000329653886

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)Nc1cn(C)nc1-c1ccccc1

$$$$
ZINC001414444368
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 2.4999 0.0 0
M  V30 2 C 5.1961 1.4999 0.0 0
M  V30 3 N 4.3301 1.0 0.0 0
M  V30 4 C 6.0621 0.9999 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0
M  V30 9 N 2.598 0.0 0.0 0
M  V30 10 C 1.732 -0.5 0.0 0
M  V30 11 C 2.598 1.0 0.0 0
M  V30 12 O 1.732 -1.5 0.0 0
M  V30 13 N 0.866 0.0 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0
M  V30 15 C 0.0 -1.4999 0.0 0
M  V30 16 C -0.866 0.0 0.0 0
M  V30 17 C -0.866 -1.9999 0.0 0
M  V30 18 C -1.732 -0.4999 0.0 0
M  V30 19 C -1.732 -1.4999 0.0 0
M  V30 20 C -1.0739 -2.9781 0.0 0
M  V30 21 N -2.4751 -2.1691 0.0 0
M  V30 22 C -2.0684 -3.0826 0.0 0
M  V30 23 C -3.4533 -1.9612 0.0 0
M  V30 24 O -2.5684 -3.9487 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 2 10 12
M  V30 12 1 10 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 6 7
M  V30 25 1 18 19
M  V30 26 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001414444368

>  <name>
NA

>  <smiles>
CN(Cc1cccc(=O)[nH]1)C(=O)Nc1ccc2n(C)c(O)cc2c1

$$$$
ZINC000637523664
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.0517 -0.0282 0.0 0
M  V30 2 C 3.4344 -0.9521 0.0 0
M  V30 3 F 4.3583 -0.5694 0.0 0
M  V30 4 F 3.8171 -1.876 0.0 0
M  V30 5 C 2.5105 -1.3348 0.0 0
M  V30 6 C 1.7172 -0.726 0.0 0
M  V30 7 C 2.38 -2.3262 0.0 0
M  V30 8 C 0.7933 -1.1087 0.0 0
M  V30 9 C 1.4561 -2.7089 0.0 0
M  V30 10 C 0.6628 -2.1002 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 N 0.866 0.0 0.0 0
M  V30 13 C -0.9659 -0.2411 0.0 0
M  V30 14 C -0.2588 -1.4659 0.0 0
M  V30 15 C 0.866 0.9999 0.0 0
M  V30 16 C -1.2247 -1.2071 0.0 0
M  V30 17 O 0.0 1.5 0.0 0
M  V30 18 N 1.732 1.4999 0.0 0
M  V30 19 C 1.732 2.4999 0.0 0
M  V30 20 C 2.598 3.0 0.0 0
M  V30 21 C 2.598 3.9999 0.0 0
M  V30 22 C 3.4641 2.4999 0.0 0
M  V30 23 O 1.732 4.4999 0.0 0
M  V30 24 N 3.4641 4.4999 0.0 0
M  V30 25 C 4.3301 2.9999 0.0 0
M  V30 26 C 4.3301 3.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 2 20 22
M  V30 22 2 21 23
M  V30 23 1 21 24
M  V30 24 1 22 25
M  V30 25 1 24 26
M  V30 26 1 9 10
M  V30 27 1 14 16
M  V30 28 2 25 26
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000637523664

>  <name>
NA

>  <smiles>
FC(F)(F)c1cccc(c1)C1(CCC1)NC(=O)NCc1ccc[nH]c1=O

$$$$
ZINC000367629043
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F -0.3767 0.7636 0.0 0
M  V30 2 C -0.6857 1.7147 0.0 0
M  V30 3 F -1.6368 1.4057 0.0 0
M  V30 4 F -0.9948 2.6658 0.0 0
M  V30 5 C 0.2652 2.0237 0.0 0
M  V30 6 C 1.0084 1.3546 0.0 0
M  V30 7 C 0.4731 3.0019 0.0 0
M  V30 8 C 1.9594 1.6636 0.0 0
M  V30 9 C 1.4242 3.3109 0.0 0
M  V30 10 C 2.1673 2.6418 0.0 0
M  V30 11 C 2.7026 0.9945 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 C 3.6807 1.2024 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 3.5116 -0.4067 0.0 0
M  V30 16 C 4.1807 0.3364 0.0 0
M  V30 17 C 1.732 -1.5 0.0 0
M  V30 18 O 2.598 -2.0 0.0 0
M  V30 19 C 0.866 -2.0 0.0 0
M  V30 20 C 0.866 -3.0 0.0 0
M  V30 21 C 0.0 -1.5 0.0 0
M  V30 22 C 0.0 -3.5 0.0 0
M  V30 23 C -0.866 -2.0 0.0 0
M  V30 24 O 0.0 -4.5 0.0 0
M  V30 25 N -0.866 -3.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 1 22 25
M  V30 25 1 9 10
M  V30 26 1 15 16
M  V30 27 1 23 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000367629043

>  <name>
NA

>  <smiles>
FC(F)(F)c1cccc(c1)C1CCCC1NC(=O)C1CCNC(=O)C1

$$$$
ZINC000613095240
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F -0.157 -3.7458 0.0 0
M  V30 2 C 1.1795 -3.0649 0.0 0
M  V30 3 C 1.258 -1.5669 0.0 0
M  V30 4 C 2.4375 -3.8818 0.0 0
M  V30 5 C 2.5945 -0.8859 0.0 0
M  V30 6 C 0.0 -0.75 0.0 0
M  V30 7 C 3.774 -3.2008 0.0 0
M  V30 8 C 3.8525 -1.7029 0.0 0
M  V30 9 N 1.299 0.0 0.0 0
M  V30 10 C -1.3703 -0.1398 0.0 0
M  V30 11 C -0.1567 -2.2417 0.0 0
M  V30 12 F 5.032 -4.0178 0.0 0
M  V30 13 C 1.299 1.4999 0.0 0 CFG=1
M  V30 14 C -2.374 -1.2546 0.0 0
M  V30 15 C -1.624 -2.5536 0.0 0
M  V30 16 O 2.598 2.2499 0.0 0
M  V30 17 C 0.0 2.25 0.0 0
M  V30 18 N -1.299 1.5 0.0 0
M  V30 19 C 0.0 3.75 0.0 0
M  V30 20 C -2.598 2.25 0.0 0
M  V30 21 C -1.299 4.5 0.0 0
M  V30 22 O -3.8971 1.5 0.0 0
M  V30 23 N -2.598 3.75 0.0 0
M  V30 24 O -1.299 6.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 6 11
M  V30 11 1 7 12
M  V30 12 1 13 9
M  V30 13 1 10 14
M  V30 14 1 11 15
M  V30 15 1 13 16 CFG=3
M  V30 16 1 13 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 2 21 24
M  V30 24 1 7 8
M  V30 25 1 14 15
M  V30 26 1 21 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000613095240

>  <name>
NA

>  <smiles>
OC(NC1(CCCC1)c1ccc(F)cc1F)c1cc(=O)[nH]c(=O)[nH]1

$$$$
ZINC000680430230
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.8971 5.9999 0.0 0
M  V30 2 C 3.8971 4.4999 0.0 0
M  V30 3 N 5.1961 3.7499 0.0 0
M  V30 4 C 2.598 3.75 0.0 0
M  V30 5 C 5.1961 2.2499 0.0 0
M  V30 6 C 2.598 2.2499 0.0 0
M  V30 7 C 3.8971 1.4999 0.0 0
M  V30 8 C 6.4951 1.4999 0.0 0
M  V30 9 C 1.299 1.4999 0.0 0
M  V30 10 C 6.4951 0.0 0.0 0
M  V30 11 O 0.0 2.25 0.0 0
M  V30 12 N 1.299 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 C 1.258 -1.5669 0.0 0
M  V30 15 C -1.3703 -0.1398 0.0 0
M  V30 16 C -0.1567 -2.2417 0.0 0
M  V30 17 C 1.1795 -3.0649 0.0 0
M  V30 18 C 2.5945 -0.8859 0.0 0
M  V30 19 C -2.374 -1.2546 0.0 0
M  V30 20 C -1.624 -2.5536 0.0 0
M  V30 21 C 2.4375 -3.8818 0.0 0
M  V30 22 C 3.8525 -1.7029 0.0 0
M  V30 23 C 3.774 -3.2008 0.0 0
M  V30 24 O 5.032 -4.0178 0.0 0
M  V30 25 C 6.3685 -3.3368 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 1 17 21
M  V30 21 2 18 22
M  V30 22 2 21 23
M  V30 23 1 23 24
M  V30 24 1 24 25
M  V30 25 1 6 7
M  V30 26 1 19 20
M  V30 27 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000680430230

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1ccc(OC)cc1

$$$$
ZINC000447626204
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 5.1961 1.5 0.0 0
M  V30 2 C 4.3301 1.0 0.0 0
M  V30 3 C 3.4641 1.5 0.0 0
M  V30 4 C 4.3301 0.0 0.0 0
M  V30 5 C 2.598 0.9999 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 C 2.598 0.0 0.0 0
M  V30 8 C 1.732 1.4999 0.0 0
M  V30 9 N 1.732 -0.5 0.0 0
M  V30 10 C 1.732 2.4999 0.0 0
M  V30 11 C 0.866 0.9999 0.0 0
M  V30 12 C 1.732 -1.5 0.0 0
M  V30 13 C 0.866 3.0 0.0 0
M  V30 14 C 0.0 1.4999 0.0 0
M  V30 15 O 2.598 -2.0 0.0 0
M  V30 16 C 0.866 -2.0 0.0 0
M  V30 17 Cl 0.866 4.0 0.0 0
M  V30 18 C 0.0 2.4999 0.0 0
M  V30 19 C 0.866 -3.0 0.0 0
M  V30 20 C 0.0 -1.5 0.0 0
M  V30 21 C 0.0 -3.5 0.0 0
M  V30 22 C -0.866 -2.0 0.0 0
M  V30 23 O 0.0 -4.5 0.0 0
M  V30 24 N -0.866 -3.0 0.0 0
M  V30 25 C -1.732 -1.5 0.0 0
M  V30 26 C -1.732 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 2 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 13 17
M  V30 17 2 13 18
M  V30 18 1 16 19
M  V30 19 1 16 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 21 24
M  V30 24 1 22 25
M  V30 25 1 25 26
M  V30 26 1 6 7
M  V30 27 1 14 18
M  V30 28 1 22 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000447626204

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)Nc1ccc(Cl)cc1-c1cccc(Cl)c1

$$$$
ZINC001580340947
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.763 1.0408 0.0 0
M  V30 2 C 5.1752 0.2318 0.0 0
M  V30 3 N 4.1807 0.3364 0.0 0
M  V30 4 C 5.582 -0.6816 0.0 0
M  V30 5 C 3.6807 1.2024 0.0 0
M  V30 6 C 3.5116 -0.4067 0.0 0
M  V30 7 N 5.082 -1.5476 0.0 0
M  V30 8 C 6.5601 -0.8895 0.0 0
M  V30 9 C 2.7026 0.9945 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 C 5.7511 -2.2908 0.0 0
M  V30 12 N 6.6646 -1.884 0.0 0
M  V30 13 C 1.9594 1.6636 0.0 0
M  V30 14 C 1.732 -0.5 0.0 0
M  V30 15 C 5.6466 -3.2853 0.0 0
M  V30 16 C 7.4737 -2.4718 0.0 0
M  V30 17 O 1.0084 1.3546 0.0 0
M  V30 18 C 0.866 0.0 0.0 0
M  V30 19 C 6.4556 -3.8731 0.0 0
M  V30 20 C 7.3691 -3.4664 0.0 0
M  V30 21 O 0.0 -0.5 0.0 0
M  V30 22 C 8.1781 -4.0541 0.0 0
M  V30 23 N 9.0917 -3.6474 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 2 4 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 2 7 11
M  V30 11 1 8 12
M  V30 12 1 9 13
M  V30 13 1 10 14
M  V30 14 1 11 15
M  V30 15 1 12 16
M  V30 16 1 13 17
M  V30 17 1 14 18
M  V30 18 2 15 19
M  V30 19 2 16 20
M  V30 20 1 18 21
M  V30 21 1 20 22
M  V30 22 1 22 23
M  V30 23 1 9 10
M  V30 24 1 11 12
M  V30 25 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001580340947

>  <name>
NA

>  <smiles>
NCc1ccc2nc(cn2c1)C(=O)N1CC(CO)C(CCO)C1

$$$$
ZINC000446109160
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 1.299 4.4999 0.0 0
M  V30 2 C 2.598 3.7499 0.0 0
M  V30 3 C 2.598 2.2499 0.0 0
M  V30 4 C 3.8971 4.5 0.0 0
M  V30 5 C 3.8971 1.4999 0.0 0
M  V30 6 C 5.1961 3.75 0.0 0
M  V30 7 C 5.1961 2.25 0.0 0
M  V30 8 C 3.8971 0.0 0.0 0
M  V30 9 N 6.4951 1.5 0.0 0
M  V30 10 C 5.1961 -0.7499 0.0 0
M  V30 11 C 2.598 -0.75 0.0 0 CFG=2
M  V30 12 C 6.4951 0.0 0.0 0
M  V30 13 O 2.598 -2.25 0.0 0
M  V30 14 N 1.299 0.0 0.0 0
M  V30 15 O 7.7942 -0.7499 0.0 0
M  V30 16 C 0.0 -0.75 0.0 0
M  V30 17 C -1.299 0.0 0.0 0
M  V30 18 C 0.0 -2.2499 0.0 0
M  V30 19 O -1.299 1.5 0.0 0
M  V30 20 C -2.598 -0.7499 0.0 0
M  V30 21 C -1.299 -2.9999 0.0 0
M  V30 22 C -2.598 -2.2499 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 2 8 10
M  V30 10 1 11 8
M  V30 11 1 9 12
M  V30 12 1 11 13 CFG=3
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 2 20 22
M  V30 22 1 6 7
M  V30 23 1 10 12
M  V30 24 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000446109160

>  <name>
NA

>  <smiles>
OC(Nc1ccccc1O)c1cc(=O)[nH]c2ccc(Br)cc12

$$$$
ZINC000332867813
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.8971 5.9999 0.0 0
M  V30 2 C 3.8971 4.4999 0.0 0
M  V30 3 N 5.1961 3.7499 0.0 0
M  V30 4 C 2.598 3.75 0.0 0
M  V30 5 C 5.1961 2.2499 0.0 0
M  V30 6 C 2.598 2.2499 0.0 0
M  V30 7 C 3.8971 1.4999 0.0 0
M  V30 8 C 6.4951 1.4999 0.0 0
M  V30 9 C 1.299 1.4999 0.0 0
M  V30 10 C 6.4951 0.0 0.0 0
M  V30 11 O 0.0 2.25 0.0 0
M  V30 12 N 1.299 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 C 1.258 -1.5669 0.0 0
M  V30 15 C -1.3703 -0.1398 0.0 0
M  V30 16 C -0.1567 -2.2417 0.0 0
M  V30 17 N 1.3365 -3.0649 0.0 0
M  V30 18 N 2.6583 -1.0294 0.0 0
M  V30 19 C -2.374 -1.2546 0.0 0
M  V30 20 C -1.624 -2.5536 0.0 0
M  V30 21 O 2.7853 -3.4531 0.0 0
M  V30 22 C 3.6023 -2.1951 0.0 0
M  V30 23 C 5.1003 -2.1166 0.0 0
M  V30 24 C 6.4368 -2.7976 0.0 0
M  V30 25 C 6.3583 -1.2996 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 1 17 21
M  V30 21 2 18 22
M  V30 22 1 22 23
M  V30 23 1 23 24
M  V30 24 1 23 25
M  V30 25 1 6 7
M  V30 26 1 19 20
M  V30 27 1 21 22
M  V30 28 1 24 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000332867813

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1noc(n1)C1CC1

$$$$
ZINC001444066461
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 5.0467 -0.8364 0.0 0
M  V30 2 C 4.3776 -0.0932 0.0 0
M  V30 3 C 4.5467 -1.7024 0.0 0
M  V30 4 C 3.4641 -0.5 0.0 0
M  V30 5 C 3.5686 -1.4945 0.0 0
M  V30 6 C 2.598 0.0 0.0 0
M  V30 7 N 1.732 -0.5 0.0 0
M  V30 8 C 0.866 0.0 0.0 0
M  V30 9 C 0.0 -0.5 0.0 0
M  V30 10 N 0.8386 -1.0446 0.0 0
M  V30 11 C -0.9135 -0.0932 0.0 0
M  V30 12 C -0.1045 -1.4945 0.0 0
M  V30 13 C 0.7863 -2.0432 0.0 0
M  V30 14 C -1.5826 -0.8364 0.0 0
M  V30 15 C -1.0826 -1.7024 0.0 0
M  V30 16 O -0.1046 -2.4972 0.0 0
M  V30 17 C 1.625 -2.5879 0.0 0 CFG=2
M  V30 18 C 1.5726 -3.5865 0.0 0
M  V30 19 C 2.516 -2.1339 0.0 0
M  V30 20 C 2.4113 -4.1311 0.0 0
M  V30 21 C 3.3546 -2.6785 0.0 0
M  V30 22 O 2.359 -5.1298 0.0 0
M  V30 23 N 3.3023 -3.6771 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 2 3 5
M  V30 5 1 4 6
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 1 17 13 CFG=1
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 4 5
M  V30 24 1 14 15
M  V30 25 1 21 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 17)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001444066461

>  <name>
NA

>  <smiles>
O=C(NC1(CNCc2ccsc2)CCCC1)C1CCNC(=O)C1

$$$$
ZINC001080612675
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 -0.5 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 N 4.3301 1.0 0.0 0
M  V30 4 C 3.4641 -0.4999 0.0 0
M  V30 5 C 3.4641 1.5 0.0 0
M  V30 6 C 2.598 0.0 0.0 0
M  V30 7 O 3.4641 2.5 0.0 0
M  V30 8 C 2.598 1.0 0.0 0
M  V30 9 C 1.732 -0.5 0.0 0
M  V30 10 O 1.732 -1.5 0.0 0
M  V30 11 N 0.866 0.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C -0.9135 -0.0932 0.0 0
M  V30 14 C -0.1045 -1.4945 0.0 0
M  V30 15 C -1.5826 -0.8364 0.0 0
M  V30 16 C -1.1214 0.8848 0.0 0
M  V30 17 N -1.0826 -1.7024 0.0 0
M  V30 18 C -1.4894 -2.6159 0.0 0
M  V30 19 C -2.4839 -2.7205 0.0 0
M  V30 20 N -2.8906 -3.634 0.0 0
M  V30 21 N -3.8688 -3.8419 0.0 0
M  V30 22 C -2.3906 -4.5 0.0 0
M  V30 23 C -3.9733 -4.8364 0.0 0
M  V30 24 C -3.0598 -5.2432 0.0 0
M  V30 25 C -1.3961 -4.6046 0.0 0
M  V30 26 C -4.8393 -5.3364 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 2 22 24
M  V30 24 1 22 25
M  V30 25 1 23 26
M  V30 26 1 6 8
M  V30 27 1 15 17
M  V30 28 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001080612675

>  <name>
NA

>  <smiles>
CC1CN(CCn2nc(C)cc2C)CC1NC(O)c1cc(O)[nH]c(=O)c1

$$$$
ZINC001331329001
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 29 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 2.598 -0.75 0.0 0
M  V30 2 O 1.848 -2.049 0.0 0
M  V30 3 O 3.348 -2.049 0.0 0
M  V30 4 N 1.299 0.0 0.0 0
M  V30 5 C 3.8971 0.0 0.0 0
M  V30 6 C 0.0 -0.75 0.0 0
M  V30 7 C 5.1961 -0.75 0.0 0
M  V30 8 C 3.8971 1.5 0.0 0
M  V30 9 C 6.4952 0.0 0.0 0
M  V30 10 C 5.1961 2.25 0.0 0
M  V30 11 N 7.9217 -0.4635 0.0 0
M  V30 12 C 6.4952 1.5 0.0 0
M  V30 13 C 8.8034 0.75 0.0 0
M  V30 14 C 8.3853 -1.8901 0.0 0
M  V30 15 C 7.9217 1.9635 0.0 0
M  V30 16 C 9.8525 -2.2019 0.0 0
M  V30 17 N 10.316 -3.6285 0.0 0
M  V30 18 C 10.8562 -1.0872 0.0 0
M  V30 19 C 11.7832 -3.9404 0.0 0
M  V30 20 C 12.3234 -1.3991 0.0 0
M  V30 21 N 12.5332 -5.2394 0.0 0
M  V30 22 N 12.7869 -2.8257 0.0 0
M  V30 23 O 13.3271 -0.2844 0.0 0
M  V30 24 C 14.0005 -4.9276 0.0 0
M  V30 25 N 14.1573 -3.4358 0.0 0
M  V30 26 N 15.1152 -5.9313 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 2 1 3
M  V30 3 1 1 4
M  V30 4 1 1 5
M  V30 5 1 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 2 8 10
M  V30 10 1 9 11
M  V30 11 2 9 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 14 16
M  V30 16 1 16 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 21 24
M  V30 24 1 22 25
M  V30 25 2 24 26
M  V30 26 1 10 12
M  V30 27 1 13 15
M  V30 28 1 20 22
M  V30 29 1 24 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001331329001

>  <name>
NA

>  <smiles>
CNS(=O)(=O)c1ccc2CCN(Cc3cc(=O)n4[nH]c(=N)nc4[nH]3)c2c1

$$$$
ZINC000679652126
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 3.3546 -2.6785 0.0 0
M  V30 2 C 2.516 -2.1339 0.0 0
M  V30 3 C 2.5683 -1.1352 0.0 0
M  V30 4 C 1.625 -2.5879 0.0 0
M  V30 5 C 1.7296 -0.5906 0.0 0
M  V30 6 C 0.7863 -2.0432 0.0 0
M  V30 7 C 0.8386 -1.0446 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.9135 -0.0932 0.0 0
M  V30 11 C -0.1045 -1.4945 0.0 0
M  V30 12 C 0.866 0.9999 0.0 0
M  V30 13 C -1.5826 -0.8364 0.0 0
M  V30 14 C -1.0826 -1.7024 0.0 0
M  V30 15 O 1.732 1.4999 0.0 0
M  V30 16 C 0.0 1.5 0.0 0
M  V30 17 C -0.866 1.0 0.0 0
M  V30 18 C 0.0 2.5 0.0 0
M  V30 19 C -1.732 1.4999 0.0 0
M  V30 20 C -0.866 2.9999 0.0 0
M  V30 21 O -2.598 1.0 0.0 0
M  V30 22 N -1.732 2.5 0.0 0
M  V30 23 C -0.866 4.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 6 7
M  V30 24 1 13 14
M  V30 25 1 20 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000679652126

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1ccc(Cl)cc1

$$$$
ZINC000803123001
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.4641 2.5 0.0 0
M  V30 2 C 3.4641 2.5 0.0 0
M  V30 3 F 3.4641 3.5 0.0 0
M  V30 4 F 4.4641 2.5 0.0 0
M  V30 5 C 3.4641 1.5 0.0 0
M  V30 6 C 2.598 1.0 0.0 0
M  V30 7 C 4.3301 1.0 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 C 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.4999 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0
M  V30 12 O 1.732 -1.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 O 0.866 1.0 0.0 0
M  V30 15 N 0.0 -0.5 0.0 0
M  V30 16 C -0.866 0.0 0.0 0
M  V30 17 C 0.0 -1.4999 0.0 0
M  V30 18 C -1.732 -0.4999 0.0 0
M  V30 19 C -0.866 -1.9999 0.0 0
M  V30 20 C -1.732 -1.4999 0.0 0
M  V30 21 C -2.598 0.0 0.0 0
M  V30 22 O -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 2 20 22
M  V30 22 1 9 10
M  V30 23 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000803123001

>  <name>
NA

>  <smiles>
CC1CN(CCC1=O)C(=O)C(O)c1cccc(c1)C(F)(F)F

$$$$
ZINC000152975931
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.1385 -2.03 0.0 0
M  V30 2 C 5.8295 -2.981 0.0 0
M  V30 3 F 6.7806 -3.29 0.0 0
M  V30 4 F 5.5205 -3.9321 0.0 0
M  V30 5 C 4.8785 -2.672 0.0 0
M  V30 6 C 4.6705 -1.6939 0.0 0
M  V30 7 C 4.1353 -3.3411 0.0 0
M  V30 8 C 3.7195 -1.3848 0.0 0
M  V30 9 C 3.1843 -3.0321 0.0 0
M  V30 10 N 3.5116 -0.4067 0.0 0
M  V30 11 C 2.9763 -2.054 0.0 0
M  V30 12 N 4.1807 0.3364 0.0 0
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 C 3.6807 1.2024 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 2.7026 0.9945 0.0 0
M  V30 17 C 4.0874 2.1159 0.0 0
M  V30 18 C 0.866 0.0 0.0 0
M  V30 19 O 0.866 1.0 0.0 0
M  V30 20 C 0.0 -0.5 0.0 0 CFG=2
M  V30 21 C -0.866 0.0 0.0 0
M  V30 22 C 0.0 -1.4999 0.0 0
M  V30 23 C -1.732 -0.4999 0.0 0
M  V30 24 C -0.866 -1.9999 0.0 0
M  V30 25 O -2.598 0.0 0.0 0
M  V30 26 N -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 1 8 10
M  V30 10 2 8 11
M  V30 11 1 10 12
M  V30 12 1 10 13
M  V30 13 1 12 14
M  V30 14 2 13 15 CFG=2
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 2 18 19
M  V30 19 1 20 18 CFG=1
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 2 23 25
M  V30 25 1 23 26
M  V30 26 1 9 11
M  V30 27 2 14 16
M  V30 28 1 24 26
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 20)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000152975931

>  <name>
NA

>  <smiles>
Cc1cc(=NC(=O)C2CCNC(=O)C2)n([nH]1)-c1cccc(c1)C(F)(F)F

$$$$
ZINC000887165496
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.0621 -4.9999 0.0 0
M  V30 2 C 5.1961 -4.5 0.0 0
M  V30 3 C 5.1961 -3.4999 0.0 0
M  V30 4 C 4.3301 -5.0 0.0 0
M  V30 5 C 4.3301 -2.9999 0.0 0
M  V30 6 C 3.4641 -4.5 0.0 0
M  V30 7 N 4.3301 -2.0 0.0 0
M  V30 8 C 3.4641 -3.5 0.0 0
M  V30 9 C 5.1961 -1.5 0.0 0
M  V30 10 C 3.4641 -1.5 0.0 0
M  V30 11 O 6.0621 -2.0 0.0 0
M  V30 12 C 5.1961 -0.5 0.0 0
M  V30 13 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 14 C 4.3301 0.0 0.0 0
M  V30 15 C 2.598 0.0 0.0 0
M  V30 16 O 2.598 1.0 0.0 0
M  V30 17 N 1.732 -0.5 0.0 0
M  V30 18 C 0.866 0.0 0.0 0
M  V30 19 C 1.732 -1.5 0.0 0
M  V30 20 C 0.0 -0.5 0.0 0
M  V30 21 N -0.866 0.0 0.0 0
M  V30 22 C 0.0 -1.4999 0.0 0
M  V30 23 C -1.732 -0.4999 0.0 0
M  V30 24 C -0.866 -1.9999 0.0 0
M  V30 25 O -2.598 0.0 0.0 0
M  V30 26 C -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 13 10
M  V30 13 1 12 14
M  V30 14 1 13 15 CFG=1
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 2 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 2 23 25
M  V30 25 1 23 26
M  V30 26 1 6 8
M  V30 27 1 13 14
M  V30 28 2 24 26
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000887165496

>  <name>
NA

>  <smiles>
CN(Cc1cccc(=O)[nH]1)C(=O)C1CCC(=O)N(C1)c1cccc(F)c1

$$$$
ZINC001328556578
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 2.6835 2.3816 0.0 0
M  V30 2 C 3.8971 1.5 0.0 0
M  V30 3 C 3.1471 3.8082 0.0 0
M  V30 4 C 5.1106 2.3816 0.0 0
M  V30 5 C 3.8971 0.0 0.0 0 CFG=1
M  V30 6 C 4.6471 3.8082 0.0 0
M  V30 7 N 5.1961 -0.75 0.0 0
M  V30 8 C 2.598 -0.75 0.0 0
M  V30 9 C 6.4952 0.0 0.0 0
M  V30 10 C 1.299 0.0 0.0 0
M  V30 11 C 1.848 -2.049 0.0 0
M  V30 12 C 3.348 -2.049 0.0 0
M  V30 13 C 7.7942 -0.75 0.0 0
M  V30 14 O 0.0 -0.75 0.0 0
M  V30 15 N 7.7942 -2.25 0.0 0
M  V30 16 C 9.0932 0.0 0.0 0
M  V30 17 C 9.0932 -3.0 0.0 0
M  V30 18 C 10.3923 -0.75 0.0 0
M  V30 19 N 9.4051 -4.4672 0.0 0
M  V30 20 N 10.3923 -2.25 0.0 0
M  V30 21 O 11.6913 0.0 0.0 0
M  V30 22 C 10.8969 -4.624 0.0 0
M  V30 23 N 11.507 -3.2537 0.0 0
M  V30 24 N 11.6469 -5.923 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 5 2
M  V30 5 2 3 6
M  V30 6 1 5 7 CFG=1
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 8 12
M  V30 12 1 9 13
M  V30 13 1 10 14
M  V30 14 1 13 15
M  V30 15 2 13 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 22 24
M  V30 24 1 4 6
M  V30 25 1 18 20
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001328556578

>  <name>
NA

>  <smiles>
CC(C)(CO)C(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1cccs1

$$$$
ZINC001684877584
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.8993 -1.8398 0.0 0
M  V30 2 C 3.3546 -2.6785 0.0 0
M  V30 3 F 4.1933 -3.2231 0.0 0
M  V30 4 F 2.81 -3.5172 0.0 0
M  V30 5 C 2.516 -2.1339 0.0 0
M  V30 6 C 2.5683 -1.1352 0.0 0
M  V30 7 C 1.625 -2.5879 0.0 0
M  V30 8 C 1.7296 -0.5906 0.0 0
M  V30 9 C 0.7863 -2.0432 0.0 0
M  V30 10 C 0.8386 -1.0446 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 N 0.866 0.0 0.0 0
M  V30 13 C -0.9135 -0.0932 0.0 0
M  V30 14 C -0.1045 -1.4945 0.0 0
M  V30 15 C 0.866 0.9999 0.0 0
M  V30 16 C -1.5826 -0.8364 0.0 0
M  V30 17 C -1.0826 -1.7024 0.0 0
M  V30 18 O 0.0 1.5 0.0 0
M  V30 19 N 1.732 1.4999 0.0 0
M  V30 20 C 1.732 2.4999 0.0 0 CFG=2
M  V30 21 C 2.541 3.0877 0.0 0
M  V30 22 C 0.923 3.0877 0.0 0
M  V30 23 O 2.232 4.0388 0.0 0
M  V30 24 C 1.232 4.0388 0.0 0
M  V30 25 O 0.6442 4.8478 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 15 19
M  V30 19 1 20 19 CFG=1
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 2 24 25
M  V30 25 1 9 10
M  V30 26 1 16 17
M  V30 27 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 20)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001684877584

>  <name>
NA

>  <smiles>
FC(F)(F)c1ccc(cc1)C1(CCCC1)NC(=O)NC1COC(=O)C1

$$$$
ZINC000578468548
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F -0.314 5.2417 0.0 0
M  V30 2 C -0.2355 3.7438 0.0 0
M  V30 3 C 1.1009 3.0628 0.0 0
M  V30 4 C -1.4935 2.9268 0.0 0
M  V30 5 C 1.1795 1.5649 0.0 0
M  V30 6 C -1.415 1.4289 0.0 0
M  V30 7 C -0.0785 0.7479 0.0 0
M  V30 8 C 0.0 -0.75 0.0 0
M  V30 9 N 1.299 0.0 0.0 0
M  V30 10 C -0.1567 -2.2417 0.0 0
M  V30 11 C -1.3703 -0.1398 0.0 0
M  V30 12 C 2.598 -0.75 0.0 0
M  V30 13 C -1.624 -2.5536 0.0 0
M  V30 14 C -2.374 -1.2546 0.0 0
M  V30 15 O 3.8971 0.0 0.0 0
M  V30 16 C 2.598 -2.25 0.0 0
M  V30 17 C 1.299 -3.0 0.0 0
M  V30 18 C 3.8971 -2.9999 0.0 0
M  V30 19 C 1.299 -4.5 0.0 0
M  V30 20 C 3.8971 -4.4999 0.0 0
M  V30 21 O 0.0 -5.25 0.0 0
M  V30 22 N 2.598 -5.25 0.0 0
M  V30 23 C 5.1961 -5.2499 0.0 0
M  V30 24 C 6.4951 -4.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 6 7
M  V30 25 1 13 14
M  V30 26 1 20 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000578468548

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1ccc(F)cc1

$$$$
ZINC000152092330
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.3432 -4.3193 0.0 0
M  V30 2 C 4.1353 -3.3411 0.0 0
M  V30 3 C 4.8785 -2.672 0.0 0
M  V30 4 C 3.1843 -3.0321 0.0 0
M  V30 5 C 4.6705 -1.6939 0.0 0
M  V30 6 C 2.9763 -2.054 0.0 0
M  V30 7 C 3.7195 -1.3848 0.0 0
M  V30 8 N 3.5116 -0.4067 0.0 0
M  V30 9 N 4.1807 0.3364 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 C 3.6807 1.2024 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.7026 0.9945 0.0 0
M  V30 14 C 4.0874 2.1159 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0 CFG=2
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 O -2.598 0.0 0.0 0
M  V30 23 N -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 2 10 12 CFG=2
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 2 15 16
M  V30 16 1 17 15 CFG=1
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 6 7
M  V30 24 2 11 13
M  V30 25 1 21 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 17)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000152092330

>  <name>
NA

>  <smiles>
Cc1cc(=NC(=O)C2CCNC(=O)C2)n([nH]1)-c1ccc(F)cc1

$$$$
ZINC000541719918
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F -0.1046 -2.4972 0.0 0
M  V30 2 C 0.7863 -2.0432 0.0 0
M  V30 3 C 0.8386 -1.0446 0.0 0
M  V30 4 C 1.625 -2.5879 0.0 0
M  V30 5 C 1.7296 -0.5906 0.0 0
M  V30 6 C 0.0 -0.5 0.0 0
M  V30 7 C 2.516 -2.1339 0.0 0
M  V30 8 C 2.5683 -1.1352 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.9135 -0.0932 0.0 0
M  V30 11 C -0.1045 -1.4945 0.0 0
M  V30 12 F 3.3546 -2.6785 0.0 0
M  V30 13 C 0.866 0.9999 0.0 0
M  V30 14 C -1.5826 -0.8364 0.0 0
M  V30 15 C -1.0826 -1.7024 0.0 0
M  V30 16 O 1.732 1.4999 0.0 0
M  V30 17 C 0.0 1.5 0.0 0
M  V30 18 C 0.0 2.5 0.0 0
M  V30 19 C -0.866 1.0 0.0 0
M  V30 20 C -0.866 3.0 0.0 0
M  V30 21 C -1.732 1.5 0.0 0
M  V30 22 O -0.866 4.0 0.0 0
M  V30 23 N -1.732 2.5 0.0 0
M  V30 24 C -2.598 1.0 0.0 0
M  V30 25 C -2.598 0.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 6 11
M  V30 11 1 7 12
M  V30 12 1 9 13
M  V30 13 1 10 14
M  V30 14 1 11 15
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 21 24
M  V30 24 1 24 25
M  V30 25 1 7 8
M  V30 26 1 14 15
M  V30 27 1 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000541719918

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1ccc(F)cc1F

$$$$
ZINC001466833932
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.8993 -1.8398 0.0 0
M  V30 2 C 3.3546 -2.6785 0.0 0
M  V30 3 F 4.1933 -3.2231 0.0 0
M  V30 4 F 2.81 -3.5172 0.0 0
M  V30 5 C 2.516 -2.1339 0.0 0
M  V30 6 C 2.5683 -1.1352 0.0 0
M  V30 7 C 1.625 -2.5879 0.0 0
M  V30 8 C 1.7296 -0.5906 0.0 0
M  V30 9 C 0.7863 -2.0432 0.0 0
M  V30 10 C 0.8386 -1.0446 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 N 0.866 0.0 0.0 0
M  V30 13 C -0.9135 -0.0932 0.0 0
M  V30 14 C -0.1045 -1.4945 0.0 0
M  V30 15 C 0.866 0.9999 0.0 0
M  V30 16 C -1.5826 -0.8364 0.0 0
M  V30 17 C -1.0826 -1.7024 0.0 0
M  V30 18 O 1.732 1.4999 0.0 0
M  V30 19 C 0.0 1.5 0.0 0
M  V30 20 C -0.866 1.0 0.0 0
M  V30 21 C 0.0 2.5 0.0 0
M  V30 22 C -1.732 1.4999 0.0 0
M  V30 23 C -0.866 2.9999 0.0 0
M  V30 24 O -2.598 1.0 0.0 0
M  V30 25 N -1.732 2.5 0.0 0
M  V30 26 C -0.866 4.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 15 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 2 22 24
M  V30 24 1 22 25
M  V30 25 1 23 26
M  V30 26 1 9 10
M  V30 27 1 16 17
M  V30 28 1 23 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001466833932

>  <name>
NA

>  <smiles>
Cc1cc(cc(=O)[nH]1)C(=O)NC1(CCCC1)c1ccc(cc1)C(F)(F)F

$$$$
ZINC000346039690
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.0621 0.0 0.0 0
M  V30 2 C 5.1961 -0.5 0.0 0
M  V30 3 C 4.3301 0.0 0.0 0
M  V30 4 C 5.1961 -1.4999 0.0 0
M  V30 5 C 3.4641 -0.5 0.0 0
M  V30 6 C 4.3301 -1.9999 0.0 0
M  V30 7 O 2.598 0.0 0.0 0
M  V30 8 C 3.4641 -1.4999 0.0 0
M  V30 9 C 2.598 0.9999 0.0 0
M  V30 10 N 2.598 -1.9999 0.0 0
M  V30 11 C 1.732 1.4999 0.0 0
M  V30 12 C 1.732 -1.4999 0.0 0
M  V30 13 C 1.732 2.4999 0.0 0
M  V30 14 O 1.732 -0.5 0.0 0
M  V30 15 C 0.866 -1.9999 0.0 0
M  V30 16 C 0.0 -1.4999 0.0 0
M  V30 17 C 0.866 -2.9999 0.0 0
M  V30 18 C -0.866 -1.9999 0.0 0
M  V30 19 C 0.0 -3.4999 0.0 0
M  V30 20 O -1.732 -1.4999 0.0 0
M  V30 21 N -0.866 -2.9999 0.0 0
M  V30 22 C 0.0 -4.4999 0.0 0
M  V30 23 C 0.866 -4.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 22 23
M  V30 23 1 6 8
M  V30 24 1 19 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000346039690

>  <name>
NA

>  <smiles>
CCCOc1cc(F)ccc1NC(=O)C1CC(CC)NC(=O)C1

$$$$
ZINC000680430225
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.8971 5.9999 0.0 0
M  V30 2 C 3.8971 4.4999 0.0 0
M  V30 3 N 5.1961 3.7499 0.0 0
M  V30 4 C 2.598 3.75 0.0 0
M  V30 5 C 5.1961 2.2499 0.0 0
M  V30 6 C 2.598 2.2499 0.0 0
M  V30 7 C 3.8971 1.4999 0.0 0
M  V30 8 C 6.4951 1.4999 0.0 0
M  V30 9 C 1.299 1.4999 0.0 0
M  V30 10 C 6.4951 0.0 0.0 0
M  V30 11 O 0.0 2.25 0.0 0
M  V30 12 N 1.299 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 C 1.258 -1.5669 0.0 0
M  V30 15 C -1.3703 -0.1398 0.0 0
M  V30 16 C -0.1567 -2.2417 0.0 0
M  V30 17 C 1.1795 -3.0649 0.0 0
M  V30 18 C 2.5945 -0.8859 0.0 0
M  V30 19 C -2.374 -1.2546 0.0 0
M  V30 20 C -1.624 -2.5536 0.0 0
M  V30 21 C 2.4375 -3.8818 0.0 0
M  V30 22 C 3.8525 -1.7029 0.0 0
M  V30 23 C 3.774 -3.2008 0.0 0
M  V30 24 O 5.032 -4.0178 0.0 0
M  V30 25 C 6.3685 -3.3368 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 1 17 21
M  V30 21 2 18 22
M  V30 22 2 21 23
M  V30 23 1 23 24
M  V30 24 1 24 25
M  V30 25 1 6 7
M  V30 26 1 19 20
M  V30 27 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000680430225

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1ccc(OC)cc1

$$$$
ZINC000186155122
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl -1.8866 2.4052 0.0 0
M  V30 2 C -0.9956 1.9512 0.0 0
M  V30 3 C -0.9433 0.9526 0.0 0
M  V30 4 C -0.157 2.4958 0.0 0
M  V30 5 C -0.0523 0.4986 0.0 0
M  V30 6 C 0.7339 2.0418 0.0 0
M  V30 7 C 0.7863 1.0432 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.1045 -1.4945 0.0 0
M  V30 11 C -0.9135 -0.0932 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 C -1.0826 -1.7024 0.0 0
M  V30 14 C -1.5826 -0.8364 0.0 0
M  V30 15 O 2.598 0.0 0.0 0
M  V30 16 C 1.732 -1.5 0.0 0
M  V30 17 C 2.598 -1.9999 0.0 0
M  V30 18 C 0.866 -2.0 0.0 0
M  V30 19 C 2.598 -2.9999 0.0 0
M  V30 20 C 0.866 -3.0 0.0 0
M  V30 21 O 3.4641 -3.4999 0.0 0
M  V30 22 N 1.732 -3.5 0.0 0
M  V30 23 C 0.0 -3.5 0.0 0
M  V30 24 C -0.4999 -4.366 0.0 0
M  V30 25 C -0.9999 -3.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 23 25
M  V30 25 1 6 7
M  V30 26 1 13 14
M  V30 27 1 20 22
M  V30 28 1 24 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000186155122

>  <name>
NA

>  <smiles>
Clc1cccc(c1)C1(CCCC1)NC(=O)c1cc([nH]c(=O)c1)C1CC1

$$$$
ZINC000843720349
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 1.3256 2.7004 0.0 0
M  V30 2 C 0.5323 2.0916 0.0 0
M  V30 3 C 0.6628 1.1002 0.0 0
M  V30 4 C -0.3915 2.4743 0.0 0
M  V30 5 C -0.1305 0.4914 0.0 0
M  V30 6 C -1.1849 1.8655 0.0 0
M  V30 7 C -1.0544 0.8741 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.2588 -1.4659 0.0 0
M  V30 11 C -0.9659 -0.2411 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 C -1.2247 -1.2071 0.0 0
M  V30 14 O 1.732 -1.5 0.0 0
M  V30 15 C 2.598 0.0 0.0 0
M  V30 16 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 17 O 3.5686 -1.4945 0.0 0
M  V30 18 C 4.3776 -0.0932 0.0 0
M  V30 19 C 4.5467 -1.7024 0.0 0
M  V30 20 C 5.0467 -0.8364 0.0 0
M  V30 21 C 4.6866 0.8577 0.0 0
M  V30 22 O 4.9535 -2.6159 0.0 0
M  V30 23 C 6.0249 -0.6284 0.0 0
M  V30 24 C 5.6648 1.0657 0.0 0
M  V30 25 C 6.3339 0.3225 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 16 15 CFG=1
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 1 20 23
M  V30 23 2 21 24
M  V30 24 2 23 25
M  V30 25 1 6 7
M  V30 26 1 11 13
M  V30 27 1 19 20
M  V30 28 1 24 25
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 16)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000843720349

>  <name>
NA

>  <smiles>
Clc1cccc(c1)C1(CCC1)NC(=O)CC1OC(=O)c2ccccc12

$$$$
ZINC000664402054
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 29 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.7424 0.737 0.0 0
M  V30 2 C 4.7452 0.6623 0.0 0
M  V30 3 N 4.2452 1.5283 0.0 0
M  V30 4 C 4.3798 -0.2685 0.0 0
M  V30 5 C 3.2563 1.6773 0.0 0
M  V30 6 C 4.8085 2.3545 0.0 0
M  V30 7 C 3.4243 -0.5633 0.0 0
M  V30 8 C 2.5233 0.9972 0.0 0
M  V30 9 N 2.598 0.0 0.0 0
M  V30 10 C 1.732 -0.5 0.0 0
M  V30 11 O 1.732 -1.5 0.0 0
M  V30 12 N 0.866 0.0 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0
M  V30 14 N -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 N -1.5826 -0.8364 0.0 0
M  V30 17 C -1.1214 0.8848 0.0 0
M  V30 18 C -1.0826 -1.7024 0.0 0
M  V30 19 C -0.3783 1.554 0.0 0
M  V30 20 C -2.0725 1.1939 0.0 0
M  V30 21 C -1.4894 -2.6159 0.0 0
M  V30 22 C -0.5862 2.5321 0.0 0
M  V30 23 C -2.2804 2.172 0.0 0
M  V30 24 C -2.2984 -3.2037 0.0 0
M  V30 25 C -1.3848 -3.6105 0.0 0
M  V30 26 C -1.5372 2.8411 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 2 12 13 CFG=2
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 21 24
M  V30 24 1 21 25
M  V30 25 2 22 26
M  V30 26 1 8 9
M  V30 27 1 16 18
M  V30 28 1 23 26
M  V30 29 1 24 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000664402054

>  <name>
NA

>  <smiles>
CN1CCN(CCC1=O)C(=O)N=c1cc([nH]n1-c1ccccc1)C1CC1

$$$$
ZINC001331329171
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 29 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.2781 -3.7193 0.0 0
M  V30 2 C 4.222 -2.5536 0.0 0
M  V30 3 C 4.972 -1.2546 0.0 0
M  V30 4 C 2.7548 -2.2417 0.0 0
M  V30 5 C 4.8321 -3.9239 0.0 0
M  V30 6 C 6.4638 -1.0978 0.0 0
M  V30 7 C 3.9683 -0.1398 0.0 0
M  V30 8 N 2.598 -0.75 0.0 0
M  V30 9 O 3.9505 -5.1374 0.0 0
M  V30 10 C 7.3455 -2.3113 0.0 0
M  V30 11 C 7.0739 0.2724 0.0 0
M  V30 12 C 1.299 0.0 0.0 0
M  V30 13 C 8.8373 -2.1545 0.0 0
M  V30 14 C 8.5657 0.4292 0.0 0
M  V30 15 C 0.0 -0.75 0.0 0
M  V30 16 C 9.4474 -0.7842 0.0 0
M  V30 17 N -1.299 0.0 0.0 0
M  V30 18 C 0.0 -2.2499 0.0 0
M  V30 19 C -2.598 -0.7499 0.0 0
M  V30 20 C -1.299 -2.9999 0.0 0
M  V30 21 N -4.0246 -0.2864 0.0 0
M  V30 22 N -2.598 -2.2499 0.0 0
M  V30 23 O -1.299 -4.4999 0.0 0
M  V30 24 C -4.9063 -1.4999 0.0 0
M  V30 25 N -4.0246 -2.7135 0.0 0
M  V30 26 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 3 6
M  V30 6 1 3 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 2 6 10
M  V30 10 1 6 11
M  V30 11 1 8 12
M  V30 12 1 10 13
M  V30 13 2 11 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 1 15 17
M  V30 17 2 15 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 21 24
M  V30 24 1 22 25
M  V30 25 2 24 26
M  V30 26 1 7 8
M  V30 27 1 14 16
M  V30 28 1 20 22
M  V30 29 1 24 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001331329171

>  <name>
NA

>  <smiles>
OCC1(F)CN(Cc2cc(=O)n3[nH]c(=N)nc3[nH]2)CC1c1ccccc1

$$$$
ZINC000803037956
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 5.1961 -0.5 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 C 4.3301 1.0 0.0 0
M  V30 4 C 3.4641 -0.4999 0.0 0
M  V30 5 O 5.1961 1.5 0.0 0
M  V30 6 N 3.4641 1.5 0.0 0
M  V30 7 C 2.598 0.0 0.0 0
M  V30 8 C 2.598 1.0 0.0 0
M  V30 9 C 1.732 -0.5 0.0 0
M  V30 10 C 1.732 1.4999 0.0 0
M  V30 11 O 1.732 -1.5 0.0 0
M  V30 12 N 0.866 0.0 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0
M  V30 14 C -0.866 0.0 0.0 0
M  V30 15 C 0.0 -1.4999 0.0 0
M  V30 16 C -1.732 -0.4999 0.0 0
M  V30 17 C -0.866 1.0 0.0 0 CFG=1
M  V30 18 C -0.866 -1.9999 0.0 0
M  V30 19 C -1.732 -1.4999 0.0 0
M  V30 20 O 0.0 1.5 0.0 0
M  V30 21 C -1.732 1.5 0.0 0
M  V30 22 F -2.232 0.6339 0.0 0
M  V30 23 F -2.598 2.0 0.0 0
M  V30 24 F -1.232 2.366 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 2 4
M  V30 4 2 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 17 14
M  V30 17 2 15 18
M  V30 18 2 16 19
M  V30 19 1 17 20 CFG=3
M  V30 20 1 17 21
M  V30 21 1 21 22
M  V30 22 1 21 23
M  V30 23 1 21 24
M  V30 24 2 7 8
M  V30 25 1 18 19
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 17)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000803037956

>  <name>
NA

>  <smiles>
Cc1[nH]c(=O)c(Br)cc1C(=O)Nc1ccccc1C(O)C(F)(F)F

$$$$
ZINC000269486900
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 9.0932 -3.0 0.0 0
M  V30 2 C 7.7942 -2.25 0.0 0
M  V30 3 C 7.7942 -0.75 0.0 0
M  V30 4 C 6.4951 -2.9999 0.0 0
M  V30 5 C 6.4951 0.0 0.0 0
M  V30 6 C 5.1961 -2.25 0.0 0
M  V30 7 N 6.4951 1.4999 0.0 0
M  V30 8 C 5.1961 -0.7499 0.0 0
M  V30 9 C 5.1961 2.25 0.0 0
M  V30 10 C 3.8971 0.0 0.0 0
M  V30 11 O 5.1961 3.75 0.0 0
M  V30 12 C 3.8971 1.4999 0.0 0
M  V30 13 C 2.598 -0.75 0.0 0
M  V30 14 O 2.598 -2.25 0.0 0
M  V30 15 N 1.299 0.0 0.0 0
M  V30 16 C 0.0 -0.75 0.0 0
M  V30 17 C -1.299 0.0 0.0 0
M  V30 18 C 0.0 -2.2499 0.0 0
M  V30 19 O -1.299 1.5 0.0 0
M  V30 20 C -2.598 -0.7499 0.0 0
M  V30 21 C -1.299 -2.9999 0.0 0
M  V30 22 C -2.598 -2.2499 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 20 22
M  V30 22 1 6 8
M  V30 23 2 10 12
M  V30 24 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000269486900

>  <name>
NA

>  <smiles>
OC(NC1CCCCC1O)c1cc(=O)[nH]c2cc(F)ccc12

$$$$
ZINC000542595998
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 3.3546 -2.6785 0.0 0
M  V30 2 C 2.516 -2.1339 0.0 0
M  V30 3 C 2.5683 -1.1352 0.0 0
M  V30 4 C 1.625 -2.5879 0.0 0
M  V30 5 C 1.7296 -0.5906 0.0 0
M  V30 6 C 0.7863 -2.0432 0.0 0
M  V30 7 C 0.8386 -1.0446 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.9135 -0.0932 0.0 0
M  V30 11 C -0.1045 -1.4945 0.0 0
M  V30 12 C 0.866 0.9999 0.0 0
M  V30 13 C -1.5826 -0.8364 0.0 0
M  V30 14 C -1.0826 -1.7024 0.0 0
M  V30 15 O 1.732 1.4999 0.0 0
M  V30 16 C 0.0 1.5 0.0 0
M  V30 17 C -0.866 1.0 0.0 0
M  V30 18 C 0.0 2.5 0.0 0
M  V30 19 C -1.732 1.4999 0.0 0
M  V30 20 C -0.866 2.9999 0.0 0
M  V30 21 O -2.598 1.0 0.0 0
M  V30 22 N -1.732 2.5 0.0 0
M  V30 23 C -0.866 4.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 6 7
M  V30 24 1 13 14
M  V30 25 1 20 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000542595998

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1ccc(Br)cc1

$$$$
ZINC000777458120
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.2942 3.75 0.0 0
M  V30 2 C 7.7942 3.75 0.0 0
M  V30 3 F 7.7942 5.25 0.0 0
M  V30 4 F 9.2942 3.75 0.0 0
M  V30 5 C 7.7942 2.25 0.0 0
M  V30 6 C 6.4952 1.5 0.0 0
M  V30 7 C 9.0932 1.5 0.0 0
M  V30 8 C 6.4952 0.0 0.0 0
M  V30 9 C 9.0932 0.0 0.0 0
M  V30 10 C 7.7942 -0.75 0.0 0
M  V30 11 C 5.1961 -0.75 0.0 0 CFG=1
M  V30 12 O 4.4461 -2.049 0.0 0
M  V30 13 C 3.8971 0.0 0.0 0
M  V30 14 C 5.9461 -2.049 0.0 0
M  V30 15 O 3.8971 1.5 0.0 0
M  V30 16 N 2.598 -0.75 0.0 0
M  V30 17 C 1.299 0.0 0.0 0
M  V30 18 C 0.0 -0.75 0.0 0
M  V30 19 N -1.299 0.0 0.0 0
M  V30 20 C 0.0 -2.25 0.0 0
M  V30 21 C -2.598 -0.75 0.0 0
M  V30 22 C -1.299 -3.0 0.0 0
M  V30 23 O -3.8971 0.0 0.0 0
M  V30 24 C -2.598 -2.25 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 11 8
M  V30 11 1 11 12 CFG=1
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 13 15
M  V30 15 1 13 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 2 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 21 24
M  V30 24 1 9 10
M  V30 25 2 22 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000777458120

>  <name>
NA

>  <smiles>
CC(O)(C(=O)NCc1cccc(=O)[nH]1)c1cccc(c1)C(F)(F)F

$$$$
ZINC001119983313
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 9.0932 -3.0 0.0 0
M  V30 2 C 7.7942 -2.2499 0.0 0
M  V30 3 N 7.7942 -0.75 0.0 0
M  V30 4 C 6.4951 -2.9999 0.0 0
M  V30 5 N 6.4951 0.0 0.0 0
M  V30 6 C 9.0932 0.0 0.0 0
M  V30 7 C 5.1961 -2.25 0.0 0
M  V30 8 C 5.1961 -0.75 0.0 0
M  V30 9 C 10.3923 -0.75 0.0 0
M  V30 10 C 9.0932 1.4999 0.0 0
M  V30 11 C 3.8971 0.0 0.0 0 CFG=2
M  V30 12 C 11.6913 0.0 0.0 0
M  V30 13 C 10.3923 2.2499 0.0 0
M  V30 14 O 3.8971 1.5 0.0 0
M  V30 15 N 2.598 -0.75 0.0 0
M  V30 16 C 11.6913 1.4999 0.0 0
M  V30 17 C 12.9903 -0.75 0.0 0
M  V30 18 C 1.299 0.0 0.0 0
M  V30 19 C 2.598 -2.25 0.0 0
M  V30 20 C 0.0 -0.75 0.0 0
M  V30 21 N -1.299 0.0 0.0 0
M  V30 22 C 0.0 -2.2499 0.0 0
M  V30 23 C -2.598 -0.7499 0.0 0
M  V30 24 C -1.299 -2.9999 0.0 0
M  V30 25 O -3.8971 0.0 0.0 0
M  V30 26 C -2.598 -2.2499 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 11 8
M  V30 11 1 9 12
M  V30 12 2 10 13
M  V30 13 1 11 14 CFG=1
M  V30 14 1 11 15
M  V30 15 2 12 16
M  V30 16 1 12 17
M  V30 17 1 15 18
M  V30 18 1 15 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 2 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 2 23 25
M  V30 25 1 23 26
M  V30 26 1 7 8
M  V30 27 1 13 16
M  V30 28 2 24 26
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001119983313

>  <name>
NA

>  <smiles>
CN(Cc1cccc(=O)[nH]1)C(O)c1ccc(=O)n(n1)-c1cccc(C)c1

$$$$
ZINC000582250643
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.75 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 C 5.1961 2.25 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 5.1961 3.75 0.0 0
M  V30 9 C 2.598 -0.75 0.0 0
M  V30 10 C 3.8971 4.5 0.0 0
M  V30 11 O 2.598 -2.25 0.0 0
M  V30 12 N 1.299 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 C -1.3703 -0.1398 0.0 0
M  V30 15 C -0.1567 -2.2417 0.0 0
M  V30 16 N -2.374 -1.2546 0.0 0
M  V30 17 C -1.6821 1.3273 0.0 0
M  V30 18 N -1.624 -2.5536 0.0 0
M  V30 19 C -0.6784 2.442 0.0 0
M  V30 20 C -3.0525 1.9374 0.0 0
M  V30 21 C -2.2341 -3.9239 0.0 0
M  V30 22 N -1.4284 3.741 0.0 0
M  V30 23 N -2.8957 3.4292 0.0 0
M  V30 24 C -4.0104 4.4329 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 17 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 6 7
M  V30 25 1 16 18
M  V30 26 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000582250643

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)Nc1cn(C)nc1-c1cnn(C)c1

$$$$
ZINC000621273622
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 3.4641 -4.5 0.0 0
M  V30 2 C 3.4641 -3.5 0.0 0
M  V30 3 C 4.3301 -3.0 0.0 0
M  V30 4 C 2.598 -3.0 0.0 0
M  V30 5 C 4.3301 -1.9999 0.0 0
M  V30 6 C 2.598 -2.0 0.0 0
M  V30 7 C 3.4641 -1.5 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 C 5.1961 -0.5 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 C 6.0621 0.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 N 6.9282 -0.5 0.0 0
M  V30 16 C 6.0621 0.9999 0.0 0
M  V30 17 C 0.866 1.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 C 7.7942 0.0 0.0 0
M  V30 20 C 6.9282 1.4999 0.0 0
M  V30 21 N 8.7452 -0.309 0.0 0
M  V30 22 N 7.7942 0.9999 0.0 0
M  V30 23 O 6.9282 2.4999 0.0 0
M  V30 24 C 9.333 0.4999 0.0 0
M  V30 25 N 8.7452 1.309 0.0 0
M  V30 26 N 10.333 0.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 7
M  V30 8 1 8 9 CFG=3
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 13 16
M  V30 16 1 14 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 21 24
M  V30 24 1 22 25
M  V30 25 2 24 26
M  V30 26 1 6 7
M  V30 27 1 20 22
M  V30 28 1 24 25
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000621273622

>  <name>
NA

>  <smiles>
CC(C)CCC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccc(Cl)cc1

$$$$
ZINC000680344396
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.8971 5.9999 0.0 0
M  V30 2 C 3.8971 4.4999 0.0 0
M  V30 3 N 5.1961 3.7499 0.0 0
M  V30 4 C 2.598 3.75 0.0 0
M  V30 5 C 5.1961 2.2499 0.0 0
M  V30 6 C 2.598 2.2499 0.0 0
M  V30 7 C 3.8971 1.4999 0.0 0
M  V30 8 C 6.4951 1.4999 0.0 0
M  V30 9 C 1.299 1.4999 0.0 0
M  V30 10 C 6.4951 0.0 0.0 0
M  V30 11 O 0.0 2.25 0.0 0
M  V30 12 N 1.299 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 C 1.258 -1.5669 0.0 0
M  V30 15 C -1.3703 -0.1398 0.0 0
M  V30 16 C -0.1567 -2.2417 0.0 0
M  V30 17 C 1.1795 -3.0649 0.0 0
M  V30 18 C 2.5945 -0.8859 0.0 0
M  V30 19 C -2.374 -1.2546 0.0 0
M  V30 20 C -1.624 -2.5536 0.0 0
M  V30 21 C 2.4375 -3.8818 0.0 0
M  V30 22 C 3.8525 -1.7029 0.0 0
M  V30 23 C 3.774 -3.2008 0.0 0
M  V30 24 C 2.359 -5.3798 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 1 17 21
M  V30 21 2 18 22
M  V30 22 2 21 23
M  V30 23 1 21 24
M  V30 24 1 6 7
M  V30 25 1 19 20
M  V30 26 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000680344396

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1cccc(C)c1

$$$$
ZINC000346057845
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.8289 5.9363 0.0 0
M  V30 2 C 2.621 4.9582 0.0 0
M  V30 3 N 1.6699 4.6491 0.0 0
M  V30 4 C 3.3641 4.289 0.0 0
M  V30 5 C 1.462 3.671 0.0 0
M  V30 6 C 3.1562 3.3109 0.0 0
M  V30 7 C 2.2052 3.0019 0.0 0
M  V30 8 C 0.511 3.362 0.0 0
M  V30 9 C 3.8994 2.6418 0.0 0
M  V30 10 C 0.3031 2.3838 0.0 0
M  V30 11 O 4.8504 2.9508 0.0 0
M  V30 12 N 3.6915 1.6636 0.0 0
M  V30 13 C 4.4346 0.9945 0.0 0
M  V30 14 N 4.3301 0.0 0.0 0
M  V30 15 C 5.4128 1.2024 0.0 0
M  V30 16 N 5.2436 -0.4067 0.0 0
M  V30 17 C 3.4641 -0.5 0.0 0
M  V30 18 C 5.9128 0.3364 0.0 0
M  V30 19 C 2.598 0.0 0.0 0
M  V30 20 C 6.9073 0.2318 0.0 0
M  V30 21 C 1.732 -0.5 0.0 0
M  V30 22 C 0.866 0.0 0.0 0
M  V30 23 C 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 2 12 13 CFG=2
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 6 7
M  V30 24 1 16 18
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000346057845

>  <name>
NA

>  <smiles>
CCCCCn1[nH]c(C)cc1=NC(=O)C1CC(CC)NC(=O)C1

$$$$
ZINC001080612453
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.0036 -6.8701 0.0 0
M  V30 2 C 4.5914 -6.0611 0.0 0
M  V30 3 N 5.5859 -6.1656 0.0 0
M  V30 4 C 4.1846 -5.1475 0.0 0
M  V30 5 C 6.1737 -5.3566 0.0 0
M  V30 6 C 4.7724 -4.3385 0.0 0
M  V30 7 O 7.1682 -5.4611 0.0 0
M  V30 8 C 5.7669 -4.443 0.0 0
M  V30 9 C 4.3657 -3.4249 0.0 0
M  V30 10 O 3.3712 -3.3204 0.0 0
M  V30 11 N 4.9535 -2.6159 0.0 0
M  V30 12 C 4.5467 -1.7024 0.0 0
M  V30 13 C 5.0467 -0.8364 0.0 0
M  V30 14 C 3.5686 -1.4945 0.0 0
M  V30 15 C 4.3776 -0.0932 0.0 0
M  V30 16 C 6.0412 -0.7318 0.0 0
M  V30 17 N 3.4641 -0.5 0.0 0
M  V30 18 C 2.598 0.0 0.0 0
M  V30 19 C 1.732 -0.5 0.0 0
M  V30 20 O 1.732 -1.5 0.0 0
M  V30 21 C 0.866 0.0 0.0 0
M  V30 22 N 0.0 -0.5 0.0 0
M  V30 23 N -0.9135 -0.0932 0.0 0
M  V30 24 C -0.1045 -1.4945 0.0 0
M  V30 25 C -1.5826 -0.8364 0.0 0
M  V30 26 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 22 24
M  V30 24 2 23 25
M  V30 25 2 24 26
M  V30 26 1 6 8
M  V30 27 1 15 17
M  V30 28 1 25 26
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001080612453

>  <name>
NA

>  <smiles>
CC1CN(CC(O)Cn2cccn2)CC1NC(O)c1cc(O)[nH]c(=O)c1

$$$$
ZINC000544552417
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 3.9999 0.0 0
M  V30 2 C 2.598 2.9999 0.0 0
M  V30 3 N 3.4641 2.4999 0.0 0
M  V30 4 C 1.732 2.4999 0.0 0
M  V30 5 C 3.4641 1.4999 0.0 0
M  V30 6 C 1.732 1.4999 0.0 0
M  V30 7 C 2.598 0.9999 0.0 0
M  V30 8 C 4.3301 0.9999 0.0 0
M  V30 9 C 0.866 0.9999 0.0 0
M  V30 10 O 0.0 1.5 0.0 0
M  V30 11 N 0.866 0.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C 0.8386 -1.0446 0.0 0
M  V30 14 C -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 C 0.7863 -2.0432 0.0 0
M  V30 17 C 1.7296 -0.5906 0.0 0
M  V30 18 C -1.5826 -0.8364 0.0 0
M  V30 19 C -1.0826 -1.7024 0.0 0
M  V30 20 C 1.625 -2.5879 0.0 0
M  V30 21 C 2.5683 -1.1352 0.0 0
M  V30 22 C 2.516 -2.1339 0.0 0
M  V30 23 C 3.3546 -2.6785 0.0 0
M  V30 24 C 3.8993 -1.8398 0.0 0
M  V30 25 C 4.1933 -3.2231 0.0 0
M  V30 26 C 2.81 -3.5172 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 2 17 21
M  V30 21 2 20 22
M  V30 22 1 22 23
M  V30 23 1 23 24
M  V30 24 1 23 25
M  V30 25 1 23 26
M  V30 26 1 6 7
M  V30 27 1 18 19
M  V30 28 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000544552417

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1ccc(cc1)C(C)(C)C

$$$$
ZINC001367151521
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.5385 -7.6947 0.0 0
M  V30 2 C 3.617 -6.1967 0.0 0
M  V30 3 N 4.9535 -5.5157 0.0 0
M  V30 4 C 2.359 -5.3798 0.0 0
M  V30 5 C 5.032 -4.0178 0.0 0
M  V30 6 C 2.4375 -3.8818 0.0 0 CFG=2
M  V30 7 C 3.774 -3.2008 0.0 0
M  V30 8 C 1.1795 -3.0649 0.0 0
M  V30 9 O -0.157 -3.7458 0.0 0
M  V30 10 N 1.258 -1.5669 0.0 0
M  V30 11 C 0.0 -0.75 0.0 0
M  V30 12 C -1.3703 -0.1398 0.0 0
M  V30 13 C -0.1567 -2.2417 0.0 0
M  V30 14 C 1.299 0.0 0.0 0
M  V30 15 C -2.374 -1.2546 0.0 0
M  V30 16 C -1.624 -2.5536 0.0 0
M  V30 17 N 2.598 -0.75 0.0 0
M  V30 18 C 3.8971 0.0 0.0 0
M  V30 19 C 5.1961 -0.75 0.0 0
M  V30 20 N 5.3529 -2.2417 0.0 0
M  V30 21 C 6.5664 -0.1398 0.0 0
M  V30 22 C 6.8201 -2.5536 0.0 0
M  V30 23 O 7.5701 -1.2546 0.0 0
M  V30 24 C 7.4302 -3.9239 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 1 5 7
M  V30 7 1 6 8 CFG=1
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 6 7
M  V30 25 1 15 16
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001367151521

>  <name>
NA

>  <smiles>
Cc1nc(CNCC2(CCCC2)NC(=O)C2CCNC(=O)C2)co1

$$$$
ZINC000098043345
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 1.4999 0.0 0
M  V30 2 C 6.0621 0.9999 0.0 0
M  V30 3 O 6.9282 1.4999 0.0 0
M  V30 4 C 6.0621 0.0 0.0 0
M  V30 5 C 7.7942 0.9999 0.0 0
M  V30 6 N 5.1961 -0.5 0.0 0
M  V30 7 C 6.9282 -0.4999 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 C 7.7942 0.0 0.0 0
M  V30 10 O 4.3301 1.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 C 8.6602 -0.4999 0.0 0
M  V30 13 N 2.598 0.0 0.0 0
M  V30 14 C 3.4641 -1.5 0.0 0
M  V30 15 C 9.5262 0.0 0.0 0
M  V30 16 C 1.732 -0.5 0.0 0
M  V30 17 C 4.3301 -2.0 0.0 0
M  V30 18 N 10.3923 -0.5 0.0 0
M  V30 19 O 1.732 -1.5 0.0 0
M  V30 20 C 0.866 0.0 0.0 0
M  V30 21 N 4.4346 -2.9945 0.0 0
M  V30 22 C 5.2436 -1.5932 0.0 0
M  V30 23 N 0.0 -0.5 0.0 0
M  V30 24 C 5.4128 -3.2024 0.0 0
M  V30 25 N 5.9128 -2.3364 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 4 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 1 16 20
M  V30 20 1 17 21
M  V30 21 2 17 22
M  V30 22 1 20 23
M  V30 23 2 21 24
M  V30 24 1 22 25
M  V30 25 1 24 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000098043345

>  <name>
NA

>  <smiles>
COC(=O)C(CCCCN)NC(=O)C(Cc1c[nH]cn1)NC(=O)CN

$$$$
ZINC000680344398
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.8971 5.9999 0.0 0
M  V30 2 C 3.8971 4.4999 0.0 0
M  V30 3 N 5.1961 3.7499 0.0 0
M  V30 4 C 2.598 3.75 0.0 0
M  V30 5 C 5.1961 2.2499 0.0 0
M  V30 6 C 2.598 2.2499 0.0 0
M  V30 7 C 3.8971 1.4999 0.0 0
M  V30 8 C 6.4951 1.4999 0.0 0
M  V30 9 C 1.299 1.4999 0.0 0
M  V30 10 C 6.4951 0.0 0.0 0
M  V30 11 O 0.0 2.25 0.0 0
M  V30 12 N 1.299 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 C 1.258 -1.5669 0.0 0
M  V30 15 C -1.3703 -0.1398 0.0 0
M  V30 16 C -0.1567 -2.2417 0.0 0
M  V30 17 C 1.1795 -3.0649 0.0 0
M  V30 18 C 2.5945 -0.8859 0.0 0
M  V30 19 C -2.374 -1.2546 0.0 0
M  V30 20 C -1.624 -2.5536 0.0 0
M  V30 21 C 2.4375 -3.8818 0.0 0
M  V30 22 C 3.8525 -1.7029 0.0 0
M  V30 23 C 3.774 -3.2008 0.0 0
M  V30 24 C 2.359 -5.3798 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 1 17 21
M  V30 21 2 18 22
M  V30 22 2 21 23
M  V30 23 1 21 24
M  V30 24 1 6 7
M  V30 25 1 19 20
M  V30 26 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000680344398

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1cccc(C)c1

$$$$
ZINC000543553132
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 2.7026 0.9945 0.0 0
M  V30 2 C 2.598 0.0 0.0 0
M  V30 3 C 3.6807 1.2024 0.0 0
M  V30 4 N 1.732 -0.5 0.0 0
M  V30 5 C 3.5116 -0.4067 0.0 0
M  V30 6 N 4.1807 0.3364 0.0 0
M  V30 7 C 4.0874 2.1159 0.0 0
M  V30 8 C 0.866 0.0 0.0 0
M  V30 9 C 3.7195 -1.3848 0.0 0
M  V30 10 O 0.866 1.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C 2.9763 -2.054 0.0 0
M  V30 13 C 4.6705 -1.6939 0.0 0
M  V30 14 C -0.866 0.0 0.0 0
M  V30 15 C 0.0 -1.4999 0.0 0
M  V30 16 C 3.1843 -3.0321 0.0 0
M  V30 17 C 4.8785 -2.672 0.0 0
M  V30 18 C -1.732 -0.4999 0.0 0
M  V30 19 C -0.866 -1.9999 0.0 0
M  V30 20 C 4.1353 -3.3411 0.0 0
M  V30 21 O -2.598 0.0 0.0 0
M  V30 22 N -1.732 -1.4999 0.0 0
M  V30 23 C -0.866 -2.9999 0.0 0
M  V30 24 C 0.0 -3.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 2 4
M  V30 4 2 2 5
M  V30 5 2 3 6
M  V30 6 1 3 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 2 9 12
M  V30 12 1 9 13
M  V30 13 1 11 14
M  V30 14 1 11 15
M  V30 15 1 12 16
M  V30 16 2 13 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 2 16 20
M  V30 20 2 18 21
M  V30 21 1 18 22
M  V30 22 1 19 23
M  V30 23 1 23 24
M  V30 24 1 5 6
M  V30 25 1 17 20
M  V30 26 1 19 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000543553132

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)Nc1sc(C)nc1-c1ccccc1

$$$$
ZINC000622192481
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.7821 -2.1416 0.0 0
M  V30 2 C 3.1734 -2.935 0.0 0
M  V30 3 F 3.9667 -3.5438 0.0 0
M  V30 4 F 2.5646 -3.7283 0.0 0
M  V30 5 C 2.38 -2.3262 0.0 0
M  V30 6 C 2.5105 -1.3348 0.0 0
M  V30 7 C 1.4561 -2.7089 0.0 0
M  V30 8 C 1.7172 -0.726 0.0 0
M  V30 9 C 0.6628 -2.1002 0.0 0
M  V30 10 C 0.7933 -1.1087 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 N 0.866 0.0 0.0 0
M  V30 13 C -0.9659 -0.2411 0.0 0
M  V30 14 C -0.2588 -1.4659 0.0 0
M  V30 15 C 0.866 0.9999 0.0 0
M  V30 16 C -1.2247 -1.2071 0.0 0
M  V30 17 O 1.732 1.4999 0.0 0
M  V30 18 C 0.0 1.5 0.0 0 CFG=2
M  V30 19 C -0.866 1.0 0.0 0
M  V30 20 C 0.0 2.5 0.0 0
M  V30 21 C -1.732 1.4999 0.0 0
M  V30 22 C -0.866 2.9999 0.0 0
M  V30 23 O -2.598 1.0 0.0 0
M  V30 24 N -1.732 2.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 2 15 17
M  V30 17 1 18 15 CFG=3
M  V30 18 1 18 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 21 24
M  V30 24 1 9 10
M  V30 25 1 14 16
M  V30 26 1 22 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 18)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000622192481

>  <name>
NA

>  <smiles>
FC(F)(F)c1ccc(cc1)C1(CCC1)NC(=O)C1CCNC(=O)C1

$$$$
ZINC000667114788
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.7424 0.737 0.0 0
M  V30 2 C 4.7452 0.6623 0.0 0
M  V30 3 N 4.2452 1.5283 0.0 0
M  V30 4 C 4.3798 -0.2685 0.0 0
M  V30 5 C 3.2563 1.6773 0.0 0
M  V30 6 C 4.8085 2.3545 0.0 0
M  V30 7 C 3.4243 -0.5633 0.0 0
M  V30 8 C 2.5233 0.9972 0.0 0
M  V30 9 N 2.598 0.0 0.0 0
M  V30 10 C 1.732 -0.5 0.0 0
M  V30 11 O 1.732 -1.5 0.0 0
M  V30 12 N 0.866 0.0 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0
M  V30 14 N -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 N -1.5826 -0.8364 0.0 0
M  V30 17 C -1.1214 0.8848 0.0 0
M  V30 18 C -1.0826 -1.7024 0.0 0
M  V30 19 C -0.3783 1.554 0.0 0
M  V30 20 C -2.0725 1.1939 0.0 0
M  V30 21 C -1.4894 -2.6159 0.0 0
M  V30 22 C -0.5862 2.5321 0.0 0
M  V30 23 C -2.2804 2.172 0.0 0
M  V30 24 C -2.4839 -2.7205 0.0 0
M  V30 25 C -0.9016 -3.4249 0.0 0
M  V30 26 C -1.5372 2.8411 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 2 12 13 CFG=2
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 21 24
M  V30 24 1 21 25
M  V30 25 2 22 26
M  V30 26 1 8 9
M  V30 27 1 16 18
M  V30 28 1 23 26
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000667114788

>  <name>
NA

>  <smiles>
CC(C)c1cc(=NC(=O)N2CCN(C)C(=O)CC2)n([nH]1)-c1ccccc1

$$$$
ZINC001653678819
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.4951 0.0 0.0 0
M  V30 2 C 5.1961 -0.75 0.0 0
M  V30 3 F 5.1961 -2.25 0.0 0
M  V30 4 C 3.8971 0.0 0.0 0 CFG=2
M  V30 5 N 2.598 -0.75 0.0 0
M  V30 6 C 3.8971 1.5 0.0 0
M  V30 7 C 1.299 0.0 0.0 0
M  V30 8 C 5.1961 2.25 0.0 0
M  V30 9 C 2.598 2.2499 0.0 0
M  V30 10 C 0.0 -0.75 0.0 0
M  V30 11 C 5.1961 3.75 0.0 0
M  V30 12 C 2.598 3.75 0.0 0
M  V30 13 N -1.299 0.0 0.0 0
M  V30 14 C 0.0 -2.2499 0.0 0
M  V30 15 C 3.8971 4.5 0.0 0
M  V30 16 C -2.598 -0.7499 0.0 0
M  V30 17 C -1.299 -2.9999 0.0 0
M  V30 18 N -4.0246 -0.2864 0.0 0
M  V30 19 N -2.598 -2.2499 0.0 0
M  V30 20 O -1.299 -4.4999 0.0 0
M  V30 21 C -4.9063 -1.4999 0.0 0
M  V30 22 N -4.0246 -2.7135 0.0 0
M  V30 23 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 4 2
M  V30 4 1 4 5 CFG=3
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 2 6 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 1 8 11
M  V30 11 2 9 12
M  V30 12 1 10 13
M  V30 13 2 10 14
M  V30 14 2 11 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 21 23
M  V30 23 1 12 15
M  V30 24 1 17 19
M  V30 25 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 4)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001653678819

>  <name>
NA

>  <smiles>
FC(F)C(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccccc1

$$$$
ZINC000680326435
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl -1.8866 2.4052 0.0 0
M  V30 2 C -0.9956 1.9512 0.0 0
M  V30 3 C -0.9433 0.9526 0.0 0
M  V30 4 C -0.157 2.4958 0.0 0
M  V30 5 C -0.0523 0.4986 0.0 0
M  V30 6 C 0.7339 2.0418 0.0 0
M  V30 7 C 0.7863 1.0432 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.1045 -1.4945 0.0 0
M  V30 11 C -0.9135 -0.0932 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 C -1.0826 -1.7024 0.0 0
M  V30 14 C -1.5826 -0.8364 0.0 0
M  V30 15 O 2.598 0.0 0.0 0
M  V30 16 C 1.732 -1.5 0.0 0
M  V30 17 C 2.598 -1.9999 0.0 0
M  V30 18 C 0.866 -1.9999 0.0 0
M  V30 19 C 2.598 -2.9999 0.0 0
M  V30 20 C 0.866 -3.0 0.0 0
M  V30 21 O 3.4641 -3.4999 0.0 0
M  V30 22 N 1.732 -3.5 0.0 0
M  V30 23 C 0.0 -3.5 0.0 0
M  V30 24 C -0.866 -3.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 6 7
M  V30 25 1 13 14
M  V30 26 1 20 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000680326435

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1cccc(Cl)c1

$$$$
ZINC000843963597
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.2942 3.75 0.0 0
M  V30 2 C 7.7942 3.75 0.0 0
M  V30 3 F 7.7942 5.25 0.0 0
M  V30 4 F 9.2942 3.75 0.0 0
M  V30 5 C 7.7942 2.25 0.0 0
M  V30 6 C 6.4952 1.5 0.0 0
M  V30 7 C 9.0932 1.5 0.0 0
M  V30 8 C 6.4952 0.0 0.0 0
M  V30 9 C 9.0932 0.0 0.0 0
M  V30 10 C 7.7942 -0.75 0.0 0
M  V30 11 C 5.1961 -0.75 0.0 0 CFG=1
M  V30 12 O 4.4461 -2.049 0.0 0
M  V30 13 C 3.8971 0.0 0.0 0
M  V30 14 C 5.9461 -2.049 0.0 0
M  V30 15 O 3.8971 1.5 0.0 0
M  V30 16 N 2.598 -0.75 0.0 0
M  V30 17 C 1.299 0.0 0.0 0
M  V30 18 C 0.0 -0.75 0.0 0
M  V30 19 C -1.299 0.0 0.0 0
M  V30 20 C 0.0 -2.25 0.0 0
M  V30 21 C -2.598 -0.75 0.0 0
M  V30 22 C -1.299 -3.0 0.0 0
M  V30 23 C -2.598 -2.25 0.0 0
M  V30 24 C -3.8971 -3.0 0.0 0
M  V30 25 O -3.8971 -4.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 11 8
M  V30 11 1 11 12 CFG=1
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 13 15
M  V30 15 1 13 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 2 21 23
M  V30 23 1 23 24
M  V30 24 1 24 25
M  V30 25 1 9 10
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000843963597

>  <name>
NA

>  <smiles>
CC(O)(C(=O)NCc1ccc(CO)cc1)c1cccc(c1)C(F)(F)F

$$$$
ZINC000679651602
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 3.9999 0.0 0
M  V30 2 C 2.598 2.9999 0.0 0
M  V30 3 N 3.4641 2.4999 0.0 0
M  V30 4 C 1.732 2.4999 0.0 0
M  V30 5 C 3.4641 1.4999 0.0 0
M  V30 6 C 1.732 1.4999 0.0 0
M  V30 7 C 2.598 0.9999 0.0 0
M  V30 8 C 4.3301 0.9999 0.0 0
M  V30 9 C 0.866 0.9999 0.0 0
M  V30 10 O 0.0 1.5 0.0 0
M  V30 11 N 0.866 0.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C 0.8386 -1.0446 0.0 0
M  V30 14 C -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 C 0.7863 -2.0432 0.0 0
M  V30 17 C 1.7296 -0.5906 0.0 0
M  V30 18 C -1.5826 -0.8364 0.0 0
M  V30 19 C -1.0826 -1.7024 0.0 0
M  V30 20 C 1.625 -2.5879 0.0 0
M  V30 21 C 2.5683 -1.1352 0.0 0
M  V30 22 C 2.516 -2.1339 0.0 0
M  V30 23 O 3.3546 -2.6785 0.0 0
M  V30 24 C 4.2456 -2.2245 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 2 17 21
M  V30 21 2 20 22
M  V30 22 1 22 23
M  V30 23 1 23 24
M  V30 24 1 6 7
M  V30 25 1 18 19
M  V30 26 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000679651602

>  <name>
NA

>  <smiles>
COc1ccc(cc1)C1(CCCC1)NC(=O)C1CC(C)NC(=O)C1

$$$$
ZINC000271074737
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 29 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -1.9999 0.0 0
M  V30 2 C 3.4641 -1.4999 0.0 0
M  V30 3 N 4.3301 -1.9999 0.0 0
M  V30 4 C 3.4641 -0.5 0.0 0
M  V30 5 C 5.1961 -1.4999 0.0 0
M  V30 6 N 2.598 0.0 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 O 6.0621 -1.9999 0.0 0
M  V30 9 C 5.1961 -0.4999 0.0 0
M  V30 10 C 1.732 -0.5 0.0 0 CFG=2
M  V30 11 O 1.732 -1.5 0.0 0
M  V30 12 N 0.866 0.0 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0
M  V30 14 N -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 N -1.5826 -0.8364 0.0 0
M  V30 17 C -1.1214 0.8848 0.0 0
M  V30 18 C -1.0826 -1.7024 0.0 0
M  V30 19 C -0.3783 1.554 0.0 0
M  V30 20 C -2.0725 1.1939 0.0 0
M  V30 21 C -1.4894 -2.6159 0.0 0
M  V30 22 C -0.5862 2.5321 0.0 0
M  V30 23 C -2.2804 2.172 0.0 0
M  V30 24 C -2.2984 -3.2037 0.0 0
M  V30 25 C -1.3848 -3.6105 0.0 0
M  V30 26 C -1.5372 2.8411 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 5 9
M  V30 9 1 10 6
M  V30 10 1 10 11 CFG=3
M  V30 11 1 10 12
M  V30 12 2 12 13 CFG=2
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 21 24
M  V30 24 1 21 25
M  V30 25 2 22 26
M  V30 26 1 7 9
M  V30 27 1 16 18
M  V30 28 1 23 26
M  V30 29 1 24 25
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 10)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000271074737

>  <name>
NA

>  <smiles>
OC(Nc1ccc(O)[nH]c1=O)N=c1cc([nH]n1-c1ccccc1)C1CC1

$$$$
ZINC001141698786
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 29 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.8689 0.5 0.0 0
M  V30 2 C 5.8689 0.5 0.0 0
M  V30 3 N 5.2811 1.309 0.0 0
M  V30 4 N 5.2811 -0.309 0.0 0
M  V30 5 C 4.3301 1.0 0.0 0
M  V30 6 C 5.5902 2.26 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 5.5902 -1.26 0.0 0
M  V30 9 C 3.4641 1.4999 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.9999 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 O 1.732 1.4999 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.9135 -0.0932 0.0 0
M  V30 19 C -0.1045 -1.4945 0.0 0
M  V30 20 C -1.5826 -0.8364 0.0 0
M  V30 21 N -1.0826 -1.7024 0.0 0
M  V30 22 C -2.5826 -0.8364 0.0 0
M  V30 23 C -1.5826 -2.5684 0.0 0
M  V30 24 C -3.0826 -1.7024 0.0 0
M  V30 25 C -2.5826 -2.5684 0.0 0
M  V30 26 C -3.0826 -3.4344 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 2 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 2 23 25
M  V30 25 1 25 26
M  V30 26 2 5 7
M  V30 27 1 11 12
M  V30 28 1 20 21
M  V30 29 1 24 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001141698786

>  <name>
NA

>  <smiles>
Cc1ccc2nc(cn2c1)C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1O

$$$$
ZINC001472039661
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 9.0932 -3.0 0.0 0
M  V30 2 C 7.7942 -2.2499 0.0 0
M  V30 3 N 7.7942 -0.75 0.0 0
M  V30 4 C 6.4951 -2.9999 0.0 0
M  V30 5 N 6.4951 0.0 0.0 0
M  V30 6 C 9.0932 0.0 0.0 0
M  V30 7 C 5.1961 -2.25 0.0 0
M  V30 8 C 5.1961 -0.75 0.0 0
M  V30 9 C 10.3923 -0.75 0.0 0
M  V30 10 C 9.0932 1.4999 0.0 0
M  V30 11 C 3.8971 0.0 0.0 0 CFG=2
M  V30 12 C 11.6913 0.0 0.0 0
M  V30 13 C 10.3923 2.2499 0.0 0
M  V30 14 O 3.8971 1.5 0.0 0
M  V30 15 N 2.598 -0.75 0.0 0
M  V30 16 C 11.6913 1.4999 0.0 0
M  V30 17 C 1.299 0.0 0.0 0
M  V30 18 C 2.598 -2.25 0.0 0
M  V30 19 C 0.0 -0.75 0.0 0
M  V30 20 N -1.299 0.0 0.0 0
M  V30 21 C 0.0 -2.2499 0.0 0
M  V30 22 C -2.598 -0.7499 0.0 0
M  V30 23 C -1.299 -2.9999 0.0 0
M  V30 24 O -3.8971 0.0 0.0 0
M  V30 25 C -2.598 -2.2499 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 11 8
M  V30 11 1 9 12
M  V30 12 2 10 13
M  V30 13 1 11 14 CFG=1
M  V30 14 1 11 15
M  V30 15 2 12 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 2 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 1 22 25
M  V30 25 1 7 8
M  V30 26 1 13 16
M  V30 27 2 23 25
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001472039661

>  <name>
NA

>  <smiles>
CN(Cc1cccc(=O)[nH]1)C(O)c1ccc(=O)n(n1)-c1ccccc1

$$$$
ZINC001158319655
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 29 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.3301 0.9999 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 C 3.4641 -0.5 0.0 0
M  V30 4 C 5.1961 -0.5 0.0 0
M  V30 5 C 3.4641 -1.5 0.0 0
M  V30 6 C 2.598 0.0 0.0 0
M  V30 7 C 5.1961 -1.5 0.0 0
M  V30 8 C 4.3301 -2.0 0.0 0
M  V30 9 C 1.732 -0.5 0.0 0
M  V30 10 N 1.732 -1.5 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 O 0.866 1.0 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C 0.0 -1.4999 0.0 0
M  V30 15 C -0.866 0.0 0.0 0
M  V30 16 C -0.866 -1.9999 0.0 0
M  V30 17 C -1.732 -0.4999 0.0 0
M  V30 18 N -1.732 -1.4999 0.0 0
M  V30 19 C -1.0739 -2.9781 0.0 0
M  V30 20 C -2.4751 -2.1691 0.0 0
M  V30 21 C -2.0684 -3.0826 0.0 0
M  V30 22 C -0.4861 -3.7871 0.0 0
M  V30 23 O -3.4533 -1.9612 0.0 0
M  V30 24 C -2.4751 -3.9962 0.0 0
M  V30 25 C -0.8928 -4.7007 0.0 0
M  V30 26 C -1.8874 -4.8052 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 21 24
M  V30 24 2 22 25
M  V30 25 2 24 26
M  V30 26 1 7 8
M  V30 27 1 17 18
M  V30 28 1 20 21
M  V30 29 1 25 26
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001158319655

>  <name>
NA

>  <smiles>
NC(Cc1ccccc1F)C(=O)N1CCN2C(C1)c1ccccc1C2=O

$$$$
ZINC001438390061
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.3685 -3.3368 0.0 0
M  V30 2 C 5.032 -4.0178 0.0 0
M  V30 3 N 4.9535 -5.5157 0.0 0
M  V30 4 C 3.774 -3.2008 0.0 0
M  V30 5 C 3.617 -6.1967 0.0 0
M  V30 6 C 2.4375 -3.8818 0.0 0
M  V30 7 C 2.359 -5.3798 0.0 0
M  V30 8 C 3.5385 -7.6947 0.0 0
M  V30 9 C 1.1795 -3.0649 0.0 0 CFG=2
M  V30 10 C 1.0224 -6.0607 0.0 0
M  V30 11 C 2.2019 -8.3756 0.0 0
M  V30 12 O -0.157 -3.7458 0.0 0
M  V30 13 N 1.258 -1.5669 0.0 0
M  V30 14 C 0.9439 -7.5587 0.0 0
M  V30 15 C 0.0 -0.75 0.0 0
M  V30 16 C -1.3703 -0.1398 0.0 0
M  V30 17 C -0.1567 -2.2417 0.0 0
M  V30 18 C 1.299 0.0 0.0 0
M  V30 19 C -2.374 -1.2546 0.0 0
M  V30 20 C -1.624 -2.5536 0.0 0
M  V30 21 N 2.598 -0.75 0.0 0
M  V30 22 C 3.8971 0.0 0.0 0
M  V30 23 C 5.1961 -0.75 0.0 0
M  V30 24 C 5.9461 -2.049 0.0 0
M  V30 25 C 6.6961 -0.7499 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 9 6
M  V30 9 1 7 10
M  V30 10 2 8 11
M  V30 11 1 9 12 CFG=3
M  V30 12 1 9 13
M  V30 13 2 10 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 23 24
M  V30 24 1 23 25
M  V30 25 1 6 7
M  V30 26 1 11 14
M  V30 27 1 19 20
M  V30 28 1 24 25
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001438390061

>  <name>
NA

>  <smiles>
OC(NC1(CNCC2CC2)CCCC1)c1cc(=O)[nH]c2ccccc12

$$$$
ZINC001434060164
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 2.4999 0.0 0
M  V30 2 C 5.1961 1.4999 0.0 0
M  V30 3 C 4.3301 1.0 0.0 0
M  V30 4 C 6.0621 0.9999 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 N 5.1961 -0.5 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0
M  V30 9 N 2.598 0.0 0.0 0
M  V30 10 C 1.732 -0.5 0.0 0
M  V30 11 O 1.732 -1.5 0.0 0
M  V30 12 C 0.866 0.0 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0 CFG=2
M  V30 14 C -0.866 0.0 0.0 0
M  V30 15 C 0.0 -1.4999 0.0 0
M  V30 16 C -1.732 -0.4999 0.0 0
M  V30 17 C -0.866 1.0 0.0 0
M  V30 18 C -0.866 -1.9999 0.0 0
M  V30 19 N -1.732 -1.4999 0.0 0
M  V30 20 C -2.598 0.0 0.0 0
M  V30 21 C -1.732 1.5 0.0 0
M  V30 22 O -0.866 -2.9999 0.0 0
M  V30 23 C -2.598 1.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 2 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 13 12 CFG=1
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 16 20
M  V30 20 2 17 21
M  V30 21 2 18 22
M  V30 22 2 20 23
M  V30 23 1 6 7
M  V30 24 1 18 19
M  V30 25 1 21 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001434060164

>  <name>
NA

>  <smiles>
O=C(CC1CC(=O)Nc2ccccc12)NCc1cc(=O)cc[nH]1

$$$$
ZINC000123288274
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 3.9999 0.0 0
M  V30 2 C 2.598 2.9999 0.0 0
M  V30 3 N 3.4641 2.4999 0.0 0
M  V30 4 C 1.732 2.4999 0.0 0
M  V30 5 C 3.4641 1.4999 0.0 0
M  V30 6 C 1.732 1.4999 0.0 0 CFG=2
M  V30 7 C 2.598 0.9999 0.0 0
M  V30 8 C 0.866 0.9999 0.0 0
M  V30 9 O 0.0 1.5 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C 0.8386 -1.0446 0.0 0
M  V30 13 C -0.9135 -0.0932 0.0 0
M  V30 14 C -0.1045 -1.4945 0.0 0
M  V30 15 C 0.7863 -2.0432 0.0 0
M  V30 16 C 1.7296 -0.5906 0.0 0
M  V30 17 C -1.5826 -0.8364 0.0 0
M  V30 18 C -1.0826 -1.7024 0.0 0
M  V30 19 C 1.625 -2.5879 0.0 0
M  V30 20 C 2.5683 -1.1352 0.0 0
M  V30 21 C 2.516 -2.1339 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 1 5 7
M  V30 7 1 6 8 CFG=3
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 13 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 2 16 20
M  V30 20 2 19 21
M  V30 21 1 6 7
M  V30 22 1 17 18
M  V30 23 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000123288274

>  <name>
NA

>  <smiles>
O=C(NC1(CCCC1)c1ccccc1)C1CCNC(=O)C1

$$$$
ZINC000611863671
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.0621 -4.9999 0.0 0
M  V30 2 C 5.1961 -4.5 0.0 0
M  V30 3 C 5.1961 -3.4999 0.0 0
M  V30 4 C 4.3301 -5.0 0.0 0
M  V30 5 C 4.3301 -2.9999 0.0 0
M  V30 6 C 3.4641 -4.5 0.0 0
M  V30 7 N 4.3301 -2.0 0.0 0
M  V30 8 C 3.4641 -3.5 0.0 0
M  V30 9 C 5.1961 -1.5 0.0 0
M  V30 10 C 3.4641 -1.5 0.0 0
M  V30 11 O 6.0621 -2.0 0.0 0
M  V30 12 C 5.1961 -0.5 0.0 0
M  V30 13 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 14 C 4.3301 0.0 0.0 0
M  V30 15 C 2.598 0.0 0.0 0
M  V30 16 O 2.598 1.0 0.0 0
M  V30 17 N 1.732 -0.5 0.0 0
M  V30 18 C 0.866 0.0 0.0 0
M  V30 19 C 1.732 -1.5 0.0 0
M  V30 20 C 0.0 -0.5 0.0 0
M  V30 21 N -0.9135 -0.0932 0.0 0
M  V30 22 C -0.1045 -1.4945 0.0 0
M  V30 23 C -1.5826 -0.8364 0.0 0
M  V30 24 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 13 10
M  V30 13 1 12 14
M  V30 14 1 13 15 CFG=1
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 2 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 6 8
M  V30 25 1 13 14
M  V30 26 2 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000611863671

>  <name>
NA

>  <smiles>
CN(Cc1ccc[nH]1)C(=O)C1CCC(=O)N(C1)c1cccc(F)c1

$$$$
ZINC000563892727
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 29 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br -0.2093 3.4945 0.0 0
M  V30 2 C -0.157 2.4958 0.0 0
M  V30 3 C 0.7339 2.0418 0.0 0
M  V30 4 C -0.9956 1.9512 0.0 0
M  V30 5 C 0.7863 1.0432 0.0 0
M  V30 6 C -0.9433 0.9526 0.0 0
M  V30 7 C -0.0523 0.4986 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.1045 -1.4945 0.0 0
M  V30 11 C -0.9135 -0.0932 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 C -1.0826 -1.7024 0.0 0
M  V30 14 C -1.5826 -0.8364 0.0 0
M  V30 15 O 1.732 -1.5 0.0 0
M  V30 16 N 2.598 0.0 0.0 0
M  V30 17 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 18 C 4.3301 0.0 0.0 0
M  V30 19 C 3.4641 -1.4999 0.0 0
M  V30 20 N 5.1961 -0.4999 0.0 0
M  V30 21 C 3.623 0.7071 0.0 0
M  V30 22 C 5.0372 0.7071 0.0 0
M  V30 23 C 4.3301 -1.9999 0.0 0
M  V30 24 C 5.1961 -1.4999 0.0 0
M  V30 25 C 4.3301 1.4142 0.0 0
M  V30 26 O 6.0621 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 17 16 CFG=3
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 1 18 22
M  V30 22 1 19 23
M  V30 23 1 20 24
M  V30 24 1 21 25
M  V30 25 2 24 26
M  V30 26 1 6 7
M  V30 27 1 13 14
M  V30 28 1 22 25
M  V30 29 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 17)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000563892727

>  <name>
NA

>  <smiles>
Brc1ccc(cc1)C1(CCCC1)NC(=O)NC1CCC(=O)NC11CCC1

$$$$
ZINC000856751528
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 29 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 10.3923 2.2499 0.0 0
M  V30 2 C 9.0932 1.4999 0.0 0
M  V30 3 C 7.7942 2.25 0.0 0
M  V30 4 C 9.0932 0.0 0.0 0
M  V30 5 C 6.4951 1.5 0.0 0
M  V30 6 C 7.7942 -0.7499 0.0 0
M  V30 7 C 6.4951 0.0 0.0 0
M  V30 8 C 5.1961 -0.75 0.0 0 CFG=1
M  V30 9 O 5.1961 0.75 0.0 0
M  V30 10 C 3.8971 0.0 0.0 0
M  V30 11 C 5.1961 -2.2499 0.0 0
M  V30 12 N 2.598 -0.75 0.0 0
M  V30 13 C 3.8971 -3.0 0.0 0
M  V30 14 C 2.598 -2.25 0.0 0
M  V30 15 C 1.299 0.0 0.0 0
M  V30 16 C 0.0 -0.75 0.0 0
M  V30 17 N -1.299 0.0 0.0 0
M  V30 18 C 0.0 -2.2499 0.0 0
M  V30 19 C -2.598 -0.7499 0.0 0
M  V30 20 C -1.299 -2.9999 0.0 0
M  V30 21 N -4.0246 -0.2864 0.0 0
M  V30 22 N -2.598 -2.2499 0.0 0
M  V30 23 O -1.299 -4.4999 0.0 0
M  V30 24 C -4.9063 -1.4999 0.0 0
M  V30 25 N -4.0246 -2.7135 0.0 0
M  V30 26 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 7
M  V30 8 1 8 9 CFG=1
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 21 24
M  V30 24 1 22 25
M  V30 25 2 24 26
M  V30 26 1 6 7
M  V30 27 1 13 14
M  V30 28 1 20 22
M  V30 29 1 24 25
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000856751528

>  <name>
NA

>  <smiles>
OC1(CCCN(Cc2cc(=O)n3[nH]c(=N)nc3[nH]2)C1)c1ccc(Cl)cc1

$$$$
ZINC001181689720
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 29 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.4641 2.5 0.0 0
M  V30 2 C 3.4641 1.5 0.0 0
M  V30 3 C 2.598 1.0 0.0 0
M  V30 4 C 4.3301 1.0 0.0 0
M  V30 5 C 2.598 0.0 0.0 0
M  V30 6 C 4.3301 0.0 0.0 0
M  V30 7 C 3.4641 -0.4999 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 O 3.4641 -1.5 0.0 0
M  V30 10 C 0.866 0.0 0.0 0
M  V30 11 C 4.3301 -2.0 0.0 0
M  V30 12 O 0.866 1.0 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C 0.0 -1.4999 0.0 0
M  V30 15 C -0.866 0.0 0.0 0
M  V30 16 C -0.866 -1.9999 0.0 0 CFG=2
M  V30 17 C -1.732 -0.4999 0.0 0
M  V30 18 N -1.732 -1.4999 0.0 0
M  V30 19 C -1.0739 -2.9781 0.0 0
M  V30 20 C -2.4751 -2.1691 0.0 0
M  V30 21 C -2.0684 -3.0826 0.0 0
M  V30 22 C -0.4861 -3.7871 0.0 0
M  V30 23 O -3.4533 -1.9612 0.0 0
M  V30 24 C -2.4751 -3.9962 0.0 0
M  V30 25 C -0.8928 -4.7007 0.0 0
M  V30 26 C -1.8874 -4.8052 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 2 10 12
M  V30 12 1 10 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 16 14
M  V30 16 1 15 17
M  V30 17 1 16 18 CFG=1
M  V30 18 1 16 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 21 24
M  V30 24 2 22 25
M  V30 25 2 24 26
M  V30 26 1 6 7
M  V30 27 1 17 18
M  V30 28 1 20 21
M  V30 29 1 25 26
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 16)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001181689720

>  <name>
NA

>  <smiles>
COc1ccc(F)cc1CC(=O)N1CCN2C(C1)c1ccccc1C2=O

$$$$
ZINC000679651603
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 3.9999 0.0 0
M  V30 2 C 2.598 2.9999 0.0 0
M  V30 3 N 3.4641 2.4999 0.0 0
M  V30 4 C 1.732 2.4999 0.0 0
M  V30 5 C 3.4641 1.4999 0.0 0
M  V30 6 C 1.732 1.4999 0.0 0
M  V30 7 C 2.598 0.9999 0.0 0
M  V30 8 C 4.3301 0.9999 0.0 0
M  V30 9 C 0.866 0.9999 0.0 0
M  V30 10 O 0.0 1.5 0.0 0
M  V30 11 N 0.866 0.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C 0.8386 -1.0446 0.0 0
M  V30 14 C -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 C 0.7863 -2.0432 0.0 0
M  V30 17 C 1.7296 -0.5906 0.0 0
M  V30 18 C -1.5826 -0.8364 0.0 0
M  V30 19 C -1.0826 -1.7024 0.0 0
M  V30 20 C 1.625 -2.5879 0.0 0
M  V30 21 C 2.5683 -1.1352 0.0 0
M  V30 22 C 2.516 -2.1339 0.0 0
M  V30 23 O 3.3546 -2.6785 0.0 0
M  V30 24 C 4.2456 -2.2245 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 2 17 21
M  V30 21 2 20 22
M  V30 22 1 22 23
M  V30 23 1 23 24
M  V30 24 1 6 7
M  V30 25 1 18 19
M  V30 26 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000679651603

>  <name>
NA

>  <smiles>
COc1ccc(cc1)C1(CCCC1)NC(=O)C1CC(C)NC(=O)C1

$$$$
ZINC000817622064
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.1961 2.5 0.0 0
M  V30 2 C 5.1961 2.4999 0.0 0
M  V30 3 F 5.1961 3.4999 0.0 0
M  V30 4 F 6.1961 2.4999 0.0 0
M  V30 5 C 5.1961 1.4999 0.0 0
M  V30 6 C 4.3301 1.0 0.0 0
M  V30 7 C 6.0621 0.9999 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 C 6.0621 0.0 0.0 0
M  V30 10 C 5.1961 -0.5 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 O 3.4641 -1.5 0.0 0
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 O 2.598 1.0 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.9135 -0.0932 0.0 0
M  V30 19 C -0.1045 -1.4945 0.0 0
M  V30 20 N -1.5826 -0.8364 0.0 0
M  V30 21 C -1.0826 -1.7024 0.0 0
M  V30 22 C -2.5771 -0.7318 0.0 0
M  V30 23 O -1.4894 -2.6159 0.0 0
M  V30 24 C -2.9839 0.1816 0.0 0
M  V30 25 C -3.9784 0.2861 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 22 24
M  V30 24 1 24 25
M  V30 25 1 9 10
M  V30 26 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000817622064

>  <name>
NA

>  <smiles>
CCCN1CC(CNC(=O)C(O)c2cccc(c2)C(F)(F)F)CC1=O

$$$$
ZINC000680450863
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.7716 0.398 0.0 0
M  V30 2 C 2.5758 -1.0891 0.0 0
M  V30 3 C 1.19 -1.6631 0.0 0
M  V30 4 C 3.7658 -2.0022 0.0 0
M  V30 5 C 0.9942 -3.1503 0.0 0
M  V30 6 C 0.0 -0.75 0.0 0
M  V30 7 C 3.57 -3.4894 0.0 0
M  V30 8 C 2.1842 -4.0634 0.0 0
M  V30 9 N 1.299 0.0 0.0 0
M  V30 10 C -1.4488 -0.3617 0.0 0
M  V30 11 C -0.3882 -2.1988 0.0 0
M  V30 12 F 4.7601 -4.4025 0.0 0
M  V30 13 C 1.299 1.4999 0.0 0
M  V30 14 C -1.8371 -1.8106 0.0 0
M  V30 15 O 2.598 2.2499 0.0 0
M  V30 16 C 0.0 2.25 0.0 0
M  V30 17 C -1.299 1.5 0.0 0
M  V30 18 C 0.0 3.75 0.0 0
M  V30 19 C -2.598 2.25 0.0 0
M  V30 20 C -1.299 4.5 0.0 0
M  V30 21 O -3.8971 1.5 0.0 0
M  V30 22 N -2.598 3.75 0.0 0
M  V30 23 C -1.299 6.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 6 11
M  V30 11 1 7 12
M  V30 12 1 9 13
M  V30 13 1 10 14
M  V30 14 2 13 15
M  V30 15 1 13 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 7 8
M  V30 24 1 11 14
M  V30 25 1 20 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000680450863

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)NC1(CCC1)c1ccc(F)cc1F

$$$$
ZINC000680347545
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.75 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 C 5.1961 2.25 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 5.1961 3.75 0.0 0
M  V30 9 C 2.598 -0.75 0.0 0
M  V30 10 C 3.8971 4.5 0.0 0
M  V30 11 O 2.598 -2.25 0.0 0
M  V30 12 N 1.299 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 C -0.0785 0.7479 0.0 0
M  V30 15 C -0.1567 -2.2417 0.0 0
M  V30 16 C -1.3703 -0.1398 0.0 0
M  V30 17 C -1.415 1.4289 0.0 0
M  V30 18 C 1.1795 1.5649 0.0 0
M  V30 19 C -1.624 -2.5536 0.0 0
M  V30 20 C -2.374 -1.2546 0.0 0
M  V30 21 C -1.4935 2.9268 0.0 0
M  V30 22 C 1.1009 3.0628 0.0 0
M  V30 23 C -0.2355 3.7438 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 1 17 21
M  V30 21 2 18 22
M  V30 22 2 21 23
M  V30 23 1 6 7
M  V30 24 1 19 20
M  V30 25 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000680347545

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1ccccc1

$$$$
ZINC000680347990
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S -0.891 1.0432 0.0 0
M  V30 2 C -0.0523 0.4986 0.0 0
M  V30 3 C -0.6321 2.0091 0.0 0
M  V30 4 N 0.7248 1.1279 0.0 0
M  V30 5 C 0.0 -0.5 0.0 0
M  V30 6 C 0.3664 2.0615 0.0 0
M  V30 7 N 0.866 0.0 0.0 0
M  V30 8 C -0.1045 -1.4945 0.0 0
M  V30 9 C -0.9135 -0.0932 0.0 0
M  V30 10 C 0.911 2.9002 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0
M  V30 12 C -1.0826 -1.7024 0.0 0
M  V30 13 C -1.5826 -0.8364 0.0 0
M  V30 14 O 2.598 0.0 0.0 0
M  V30 15 C 1.732 -1.5 0.0 0
M  V30 16 C 2.598 -1.9999 0.0 0
M  V30 17 C 0.866 -1.9999 0.0 0
M  V30 18 C 2.598 -2.9999 0.0 0
M  V30 19 C 0.866 -3.0 0.0 0
M  V30 20 O 3.4641 -3.4999 0.0 0
M  V30 21 N 1.732 -3.5 0.0 0
M  V30 22 C 0.0 -3.5 0.0 0
M  V30 23 C -0.866 -3.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 8 12
M  V30 12 1 9 13
M  V30 13 2 11 14
M  V30 14 1 11 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 22 23
M  V30 23 1 4 6
M  V30 24 1 12 13
M  V30 25 1 19 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000680347990

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1nc(C)cs1

$$$$
ZINC000856742203
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 -0.5 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 N 6.0621 0.9999 0.0 0
M  V30 4 C 5.1961 -0.4999 0.0 0
M  V30 5 N 6.8053 1.6691 0.0 0
M  V30 6 C 5.1961 1.4999 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 6.3985 2.5826 0.0 0
M  V30 9 N 5.404 2.4781 0.0 0
M  V30 10 N 4.3301 1.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 6.8985 3.4487 0.0 0
M  V30 13 N 2.598 0.0 0.0 0
M  V30 14 C 1.732 -0.5 0.0 0
M  V30 15 C 1.732 -1.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 O 0.866 -2.0 0.0 0
M  V30 18 C 2.598 -1.9999 0.0 0
M  V30 19 C 0.866 1.0 0.0 0
M  V30 20 C 0.0 -0.5 0.0 0
M  V30 21 C 2.598 -3.0 0.0 0
M  V30 22 C 3.4641 -1.5 0.0 0
M  V30 23 C 3.4641 -3.5 0.0 0
M  V30 24 C 4.3301 -2.0 0.0 0
M  V30 25 C 4.3301 -3.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 16 20
M  V30 20 2 18 21
M  V30 21 1 18 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 2 23 25
M  V30 25 1 7 10
M  V30 26 1 8 9
M  V30 27 1 24 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000856742203

>  <name>
NA

>  <smiles>
CC(C)C(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)C(O)c1ccccc1

$$$$
ZINC001545432940
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 1.5726 -3.5865 0.0 0
M  V30 2 C 1.625 -2.5879 0.0 0
M  V30 3 C 0.7863 -2.0432 0.0 0
M  V30 4 C 2.516 -2.1339 0.0 0
M  V30 5 C 0.8386 -1.0446 0.0 0
M  V30 6 C 2.5683 -1.1352 0.0 0
M  V30 7 C 1.7296 -0.5906 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.9135 -0.0932 0.0 0
M  V30 11 C -0.1045 -1.4945 0.0 0
M  V30 12 C 0.866 0.9999 0.0 0
M  V30 13 C -1.5826 -0.8364 0.0 0
M  V30 14 C -1.0826 -1.7024 0.0 0
M  V30 15 O 1.732 1.4999 0.0 0
M  V30 16 C 0.0 1.5 0.0 0
M  V30 17 C -0.866 1.0 0.0 0
M  V30 18 C 0.0 2.5 0.0 0
M  V30 19 C -1.732 1.4999 0.0 0
M  V30 20 C -0.866 2.9999 0.0 0
M  V30 21 O -2.598 1.0 0.0 0
M  V30 22 N -1.732 2.5 0.0 0
M  V30 23 C -0.866 4.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 6 7
M  V30 24 1 13 14
M  V30 25 1 20 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001545432940

>  <name>
NA

>  <smiles>
Cc1cc(cc(=O)[nH]1)C(=O)NC1(CCCC1)c1cccc(Cl)c1

$$$$
ZINC000152367688
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 3.9999 0.0 0
M  V30 2 C 2.598 2.9999 0.0 0
M  V30 3 N 3.4641 2.4999 0.0 0
M  V30 4 C 1.732 2.4999 0.0 0
M  V30 5 C 3.4641 1.4999 0.0 0
M  V30 6 C 1.732 1.4999 0.0 0 CFG=2
M  V30 7 C 2.598 0.9999 0.0 0
M  V30 8 C 0.866 0.9999 0.0 0
M  V30 9 O 0.0 1.5 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C 0.8386 -1.0446 0.0 0
M  V30 13 C -0.9135 -0.0932 0.0 0
M  V30 14 C -0.1045 -1.4945 0.0 0
M  V30 15 C 0.7863 -2.0432 0.0 0
M  V30 16 C 1.7296 -0.5906 0.0 0
M  V30 17 C -1.5826 -0.8364 0.0 0
M  V30 18 C -1.0826 -1.7024 0.0 0
M  V30 19 C 1.625 -2.5879 0.0 0
M  V30 20 C 2.5683 -1.1352 0.0 0
M  V30 21 C 2.516 -2.1339 0.0 0
M  V30 22 O 3.3546 -2.6785 0.0 0
M  V30 23 C 4.2456 -2.2245 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 1 5 7
M  V30 7 1 6 8 CFG=3
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 13 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 2 16 20
M  V30 20 2 19 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 6 7
M  V30 24 1 17 18
M  V30 25 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000152367688

>  <name>
NA

>  <smiles>
COc1ccc(cc1)C1(CCCC1)NC(=O)C1CCNC(=O)C1

$$$$
ZINC000338587893
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 1.23 5.1447 0.0 0
M  V30 2 C 0.549 3.8082 0.0 0 CFG=2
M  V30 3 C 0.0855 2.3816 0.0 0
M  V30 4 C 2.049 3.8082 0.0 0
M  V30 5 C -0.3326 5.0217 0.0 0
M  V30 6 N 1.299 1.4999 0.0 0
M  V30 7 C 2.5125 2.3816 0.0 0
M  V30 8 O 0.2774 6.3921 0.0 0
M  V30 9 C 1.299 0.0 0.0 0
M  V30 10 C 0.0 -0.75 0.0 0
M  V30 11 N -1.3703 -0.1398 0.0 0
M  V30 12 N -0.1567 -2.2417 0.0 0
M  V30 13 N -2.374 -1.2546 0.0 0
M  V30 14 C 0.8469 -3.3565 0.0 0
M  V30 15 C -1.624 -2.5536 0.0 0
M  V30 16 C 0.3833 -4.783 0.0 0
M  V30 17 C 2.3141 -3.0446 0.0 0
M  V30 18 N -2.0875 -3.9802 0.0 0
M  V30 19 C -1.0838 -5.0949 0.0 0
M  V30 20 C 1.387 -5.8978 0.0 0
M  V30 21 C 3.3178 -4.1593 0.0 0
M  V30 22 C -3.5547 -4.2921 0.0 0
M  V30 23 O -1.5473 -6.5215 0.0 0
M  V30 24 C 2.8542 -5.5859 0.0 0
M  V30 25 C -4.0182 -5.7186 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 2 1 CFG=1
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 16 20
M  V30 20 2 17 21
M  V30 21 1 18 22
M  V30 22 2 19 23
M  V30 23 2 20 24
M  V30 24 1 22 25
M  V30 25 1 6 7
M  V30 26 2 13 15
M  V30 27 1 18 19
M  V30 28 1 21 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 2)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000338587893

>  <name>
NA

>  <smiles>
CCn1c2nnc(CN3CCC(F)(CO)C3)n2c2ccccc2c1=O

$$$$
ZINC001054973985
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.3033 3.5477 0.0 0
M  V30 2 C 6.5601 2.8786 0.0 0
M  V30 3 N 5.582 3.0865 0.0 0
M  V30 4 N 6.6646 1.884 0.0 0
M  V30 5 C 5.082 2.2205 0.0 0
M  V30 6 C 5.1752 4.0 0.0 0
M  V30 7 C 5.7511 1.4773 0.0 0
M  V30 8 C 4.0874 2.1159 0.0 0
M  V30 9 O 3.4997 2.9249 0.0 0
M  V30 10 N 3.6807 1.2024 0.0 0
M  V30 11 C 2.7026 0.9945 0.0 0
M  V30 12 C 4.1807 0.3364 0.0 0
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 C 3.5116 -0.4067 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 3.7195 -1.3848 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 C -0.866 0.0 0.0 0
M  V30 20 C 0.0 -1.4999 0.0 0
M  V30 21 C -1.732 -0.4999 0.0 0
M  V30 22 C -0.866 -1.9999 0.0 0
M  V30 23 C -1.732 -1.4999 0.0 0
M  V30 24 C -2.598 -1.9999 0.0 0
M  V30 25 O -2.598 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 2 21 23
M  V30 23 1 23 24
M  V30 24 1 24 25
M  V30 25 2 5 7
M  V30 26 1 13 14
M  V30 27 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001054973985

>  <name>
NA

>  <smiles>
CC1CN(CC1NCc1ccc(CO)cc1)C(=O)c1c[nH]c(=O)n1C

$$$$
ZINC000494270543
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 10.3923 -0.75 0.0 0
M  V30 2 C 9.0932 0.0 0.0 0
M  V30 3 F 9.0932 1.4999 0.0 0
M  V30 4 C 7.7942 -0.75 0.0 0 CFG=1
M  V30 5 O 7.7942 -2.25 0.0 0
M  V30 6 C 6.4951 0.0 0.0 0
M  V30 7 N 5.1961 -0.75 0.0 0
M  V30 8 C 3.8971 0.0 0.0 0
M  V30 9 O 3.8971 1.5 0.0 0
M  V30 10 C 2.598 -0.75 0.0 0
M  V30 11 O 2.598 -2.25 0.0 0
M  V30 12 N 1.299 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 C -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.2499 0.0 0
M  V30 16 C -2.598 -0.7499 0.0 0
M  V30 17 C -1.299 -2.9999 0.0 0
M  V30 18 N -4.0246 -0.2864 0.0 0
M  V30 19 C -2.598 -2.2499 0.0 0
M  V30 20 C -4.9063 -1.4999 0.0 0
M  V30 21 C -4.4881 1.1401 0.0 0
M  V30 22 N -4.0246 -2.7135 0.0 0
M  V30 23 O -6.4063 -1.4999 0.0 0
M  V30 24 C -4.4881 -4.1401 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 4 2
M  V30 4 1 4 5 CFG=1
M  V30 5 1 4 6
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 16 18
M  V30 18 2 16 19
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 22 24
M  V30 24 1 17 19
M  V30 25 1 20 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 4)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000494270543

>  <name>
NA

>  <smiles>
Cn1c2ccc(NC(=O)C(=O)NCC(O)C(F)F)cc2n(C)c1=O

$$$$
ZINC000979683202
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 2.598 0.0 0.0 0
M  V30 2 C 1.732 -0.5 0.0 0
M  V30 3 C 3.4641 -0.5 0.0 0
M  V30 4 C 0.866 0.0 0.0 0
M  V30 5 O 0.866 1.0 0.0 0
M  V30 6 N 0.0 -0.5 0.0 0
M  V30 7 C -0.9135 -0.0932 0.0 0
M  V30 8 C -0.1045 -1.4945 0.0 0
M  V30 9 C -1.5826 -0.8364 0.0 0
M  V30 10 C -1.0826 -1.7024 0.0 0
M  V30 11 C -2.5608 -1.0443 0.0 0
M  V30 12 C -1.7518 -2.4455 0.0 0
M  V30 13 N -3.3039 -0.3751 0.0 0
M  V30 14 C -2.6653 -2.0388 0.0 0
M  V30 15 C -3.096 0.6029 0.0 0
M  V30 16 O -2.145 0.9119 0.0 0
M  V30 17 C -3.8392 1.272 0.0 0
M  V30 18 N -3.6312 2.2502 0.0 0
M  V30 19 C -4.7902 0.963 0.0 0
M  V30 20 C -4.3744 2.9193 0.0 0
M  V30 21 C -2.6802 2.5592 0.0 0
M  V30 22 C -5.5334 1.6322 0.0 0
M  V30 23 O -4.1665 3.8975 0.0 0
M  V30 24 C -5.3254 2.6103 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 2 4
M  V30 4 2 4 5
M  V30 5 1 4 6
M  V30 6 1 6 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 20 24
M  V30 24 1 9 10
M  V30 25 1 12 14
M  V30 26 2 22 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000979683202

>  <name>
NA

>  <smiles>
CSCC(=O)N1CC2CCC(NC(=O)c3cccc(=O)n3C)C2C1

$$$$
ZINC000360416271
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 1.5 0.0 0
M  V30 2 C 4.3301 1.0 0.0 0
M  V30 3 N 3.4641 1.5 0.0 0
M  V30 4 C 4.3301 0.0 0.0 0
M  V30 5 C 2.598 0.9999 0.0 0
M  V30 6 C 3.4641 2.5 0.0 0
M  V30 7 C 3.4641 -0.4999 0.0 0
M  V30 8 C 5.1961 -0.4999 0.0 0
M  V30 9 C 2.598 0.0 0.0 0 CFG=2
M  V30 10 C 3.4641 -1.4999 0.0 0
M  V30 11 C 5.1961 -1.4999 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 C 4.3301 -1.9999 0.0 0
M  V30 14 O 1.732 -1.5 0.0 0
M  V30 15 N 0.866 0.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 C -0.1305 0.4914 0.0 0
M  V30 18 C -0.2588 -1.4659 0.0 0
M  V30 19 C -0.9659 -0.2411 0.0 0
M  V30 20 C -1.0544 0.8741 0.0 0
M  V30 21 C 0.6628 1.1002 0.0 0
M  V30 22 C -1.2247 -1.2071 0.0 0
M  V30 23 C -1.1849 1.8655 0.0 0
M  V30 24 C 0.5323 2.0916 0.0 0
M  V30 25 C -0.3915 2.4743 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 4 8
M  V30 8 1 9 5
M  V30 9 1 7 10
M  V30 10 2 8 11
M  V30 11 1 9 12 CFG=3
M  V30 12 2 10 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 17 21
M  V30 21 1 18 22
M  V30 22 1 20 23
M  V30 23 2 21 24
M  V30 24 2 23 25
M  V30 25 1 7 9
M  V30 26 1 11 13
M  V30 27 1 19 22
M  V30 28 1 24 25
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000360416271

>  <name>
NA

>  <smiles>
CN1CC(C(=O)NC2(CCC2)c2ccccc2)c2ccccc2C1=O

$$$$
ZINC000621299738
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 6.4951 4.5 0.0 0
M  V30 2 C 5.1961 3.75 0.0 0
M  V30 3 C 3.8971 4.5 0.0 0
M  V30 4 C 5.1961 2.25 0.0 0
M  V30 5 C 2.598 3.75 0.0 0
M  V30 6 C 3.8971 1.5 0.0 0
M  V30 7 Cl 1.299 4.5 0.0 0
M  V30 8 C 2.598 2.25 0.0 0
M  V30 9 C 3.8971 0.0 0.0 0 CFG=1
M  V30 10 N 2.598 -0.75 0.0 0
M  V30 11 C 5.1961 -0.75 0.0 0
M  V30 12 C 3.8971 -1.5 0.0 0
M  V30 13 C 1.299 0.0 0.0 0
M  V30 14 O 6.4951 0.0 0.0 0
M  V30 15 C 0.0 -0.75 0.0 0
M  V30 16 N -1.299 0.0 0.0 0
M  V30 17 C 0.0 -2.2499 0.0 0
M  V30 18 C -2.598 -0.7499 0.0 0
M  V30 19 C -1.299 -2.9999 0.0 0
M  V30 20 N -4.0246 -0.2864 0.0 0
M  V30 21 N -2.598 -2.2499 0.0 0
M  V30 22 O -1.299 -4.5 0.0 0
M  V30 23 C -4.9063 -1.4999 0.0 0
M  V30 24 N -4.0246 -2.7135 0.0 0
M  V30 25 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 9 6
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 9 12 CFG=1
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 2 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 1 20 23
M  V30 23 1 21 24
M  V30 24 2 23 25
M  V30 25 1 6 8
M  V30 26 1 19 21
M  V30 27 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000621299738

>  <name>
NA

>  <smiles>
CC(CO)(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1cc(Cl)cc(Cl)c1

$$$$
ZINC001460175548
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 6.5664 -0.1398 0.0 0
M  V30 2 C 5.1961 -0.75 0.0 0
M  V30 3 C 7.5701 -1.2546 0.0 0
M  V30 4 N 5.3529 -2.2417 0.0 0
M  V30 5 C 3.8971 0.0 0.0 0 CFG=1
M  V30 6 C 6.8201 -2.5536 0.0 0
M  V30 7 N 2.598 -0.75 0.0 0
M  V30 8 C 3.8971 1.5 0.0 0
M  V30 9 C 7.4302 -3.9239 0.0 0
M  V30 10 C 1.299 0.0 0.0 0
M  V30 11 F 2.3971 1.5 0.0 0
M  V30 12 F 3.8971 3.0 0.0 0
M  V30 13 F 5.3971 1.5 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 N -1.299 0.0 0.0 0
M  V30 16 C 0.0 -2.2499 0.0 0
M  V30 17 C -2.598 -0.7499 0.0 0
M  V30 18 C -1.299 -2.9999 0.0 0
M  V30 19 N -4.0246 -0.2864 0.0 0
M  V30 20 N -2.598 -2.2499 0.0 0
M  V30 21 O -1.299 -4.4999 0.0 0
M  V30 22 C -4.9063 -1.4999 0.0 0
M  V30 23 N -4.0246 -2.7135 0.0 0
M  V30 24 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 5 2
M  V30 5 2 3 6
M  V30 6 1 5 7 CFG=1
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 1 8 11
M  V30 11 1 8 12
M  V30 12 1 8 13
M  V30 13 1 10 14
M  V30 14 1 14 15
M  V30 15 2 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 22 24
M  V30 24 1 4 6
M  V30 25 1 18 20
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001460175548

>  <name>
NA

>  <smiles>
Cc1csc(n1)C(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)C(F)(F)F

$$$$
ZINC000649158547
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.2839 -3.8478 0.0 0
M  V30 2 C 5.6961 -3.0388 0.0 0
M  V30 3 N 4.6961 -3.0388 0.0 0
M  V30 4 C 6.0051 -2.0877 0.0 0
M  V30 5 C 4.3871 -2.0877 0.0 0
M  V30 6 C 4.1083 -3.8478 0.0 0
M  V30 7 N 5.1961 -1.5 0.0 0
M  V30 8 C 6.9562 -1.7787 0.0 0
M  V30 9 C 5.1961 -0.5 0.0 0
M  V30 10 O 6.0621 0.0 0.0 0
M  V30 11 C 4.3301 0.0 0.0 0
M  V30 12 N 3.4641 -0.5 0.0 0
M  V30 13 C 4.3301 1.0 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 C 5.1961 1.4999 0.0 0
M  V30 16 O 2.598 1.0 0.0 0
M  V30 17 C 1.732 -0.5 0.0 0
M  V30 18 N 5.3006 2.4945 0.0 0
M  V30 19 C 6.1096 1.0932 0.0 0
M  V30 20 C 0.866 0.0 0.0 0
M  V30 21 C 6.2788 2.7024 0.0 0
M  V30 22 N 6.7788 1.8364 0.0 0
M  V30 23 C 0.866 1.0 0.0 0
M  V30 24 C 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 7 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 2 15 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 20 24
M  V30 24 1 5 7
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000649158547

>  <name>
NA

>  <smiles>
CC(C)CC(=O)NC(Cc1c[nH]cn1)C(=O)N1CN(C)C(=O)C1C

$$$$
ZINC000951166387
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.9535 -2.6159 0.0 0
M  V30 2 C 4.5467 -1.7024 0.0 0
M  V30 3 C 5.0467 -0.8364 0.0 0
M  V30 4 C 3.5686 -1.4945 0.0 0
M  V30 5 N 4.3776 -0.0932 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0
M  V30 7 C 2.598 0.0 0.0 0
M  V30 8 O 2.598 1.0 0.0 0
M  V30 9 N 1.732 -0.5 0.0 0
M  V30 10 C 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0 CFG=2
M  V30 12 N -0.9659 -0.2411 0.0 0
M  V30 13 C -0.2588 -1.4659 0.0 0
M  V30 14 C -1.4659 0.6248 0.0 0
M  V30 15 C -1.2247 -1.2071 0.0 0
M  V30 16 O -2.4659 0.6248 0.0 0
M  V30 17 C -0.9659 1.4908 0.0 0
M  V30 18 C -1.4659 2.3568 0.0 0
M  V30 19 N -1.0591 3.2704 0.0 0
M  V30 20 C -2.4604 2.4614 0.0 0
M  V30 21 C -1.8023 3.9395 0.0 0
M  V30 22 O -3.1295 1.7182 0.0 0
M  V30 23 N -2.6683 3.4395 0.0 0
M  V30 24 O -1.6978 4.934 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 11 10 CFG=1
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 2 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 20 23
M  V30 23 2 21 24
M  V30 24 1 5 6
M  V30 25 1 13 15
M  V30 26 1 21 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000951166387

>  <name>
NA

>  <smiles>
Oc1[nH]c(=O)[nH]c1CC(=O)N1CCC1CNC(=O)c1cc(F)c[nH]1

$$$$
ZINC001438385400
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.0621 -1.9999 0.0 0
M  V30 2 C 5.1961 -1.4999 0.0 0
M  V30 3 C 5.1961 -0.5 0.0 0
M  V30 4 C 4.3301 -1.9999 0.0 0
M  V30 5 N 4.3301 0.0 0.0 0
M  V30 6 C 3.4641 -1.5 0.0 0
M  V30 7 C 3.4641 -0.5 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 N 1.732 -0.5 0.0 0
M  V30 10 C 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 N 0.8386 -1.0446 0.0 0
M  V30 13 C -0.9135 -0.0932 0.0 0
M  V30 14 C -0.1045 -1.4945 0.0 0
M  V30 15 C 0.7863 -2.0432 0.0 0
M  V30 16 C -1.5826 -0.8364 0.0 0
M  V30 17 C -1.0826 -1.7024 0.0 0
M  V30 18 O -0.1046 -2.4972 0.0 0
M  V30 19 C 1.625 -2.5879 0.0 0 CFG=2
M  V30 20 C 1.5726 -3.5865 0.0 0
M  V30 21 C 2.516 -2.1339 0.0 0
M  V30 22 C 2.4113 -4.1311 0.0 0
M  V30 23 C 3.3546 -2.6785 0.0 0
M  V30 24 O 2.359 -5.1298 0.0 0
M  V30 25 N 3.3023 -3.6771 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 19 15 CFG=1
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 1 22 25
M  V30 25 1 6 7
M  V30 26 1 16 17
M  V30 27 1 23 25
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 19)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001438385400

>  <name>
NA

>  <smiles>
Fc1ccc(CNCC2(CCCC2)NC(=O)C2CCNC(=O)C2)nc1

$$$$
ZINC000679652185
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 3.9999 0.0 0
M  V30 2 C 2.598 2.9999 0.0 0
M  V30 3 N 3.4641 2.4999 0.0 0
M  V30 4 C 1.732 2.4999 0.0 0
M  V30 5 C 3.4641 1.4999 0.0 0
M  V30 6 C 1.732 1.4999 0.0 0
M  V30 7 C 2.598 0.9999 0.0 0
M  V30 8 C 4.3301 0.9999 0.0 0
M  V30 9 C 0.866 0.9999 0.0 0
M  V30 10 O 0.0 1.5 0.0 0
M  V30 11 N 0.866 0.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C 0.8386 -1.0446 0.0 0
M  V30 14 C -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 C 0.7863 -2.0432 0.0 0
M  V30 17 C 1.7296 -0.5906 0.0 0
M  V30 18 C -1.5826 -0.8364 0.0 0
M  V30 19 C -1.0826 -1.7024 0.0 0
M  V30 20 C 1.625 -2.5879 0.0 0
M  V30 21 C 2.5683 -1.1352 0.0 0
M  V30 22 C 2.516 -2.1339 0.0 0
M  V30 23 C 1.5726 -3.5865 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 2 17 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 6 7
M  V30 24 1 18 19
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000679652185

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1cccc(C)c1

$$$$
ZINC000050164326
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 8.3432 1.299 0.0 0
M  V30 2 C 9.0932 0.0 0.0 0
M  V30 3 F 10.3923 0.7499 0.0 0
M  V30 4 F 9.8432 -1.299 0.0 0
M  V30 5 C 7.7942 -0.75 0.0 0 CFG=1
M  V30 6 O 7.7942 -2.25 0.0 0
M  V30 7 C 6.4951 0.0 0.0 0
M  V30 8 N 5.1961 -0.75 0.0 0
M  V30 9 C 3.8971 0.0 0.0 0
M  V30 10 O 3.8971 1.5 0.0 0
M  V30 11 C 2.598 -0.75 0.0 0
M  V30 12 O 2.598 -2.25 0.0 0
M  V30 13 N 1.299 0.0 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 C -1.299 0.0 0.0 0
M  V30 16 C 0.0 -2.2499 0.0 0
M  V30 17 C -2.598 -0.7499 0.0 0
M  V30 18 C -1.299 -2.9999 0.0 0
M  V30 19 N -4.0246 -0.2864 0.0 0
M  V30 20 C -2.598 -2.2499 0.0 0
M  V30 21 C -4.9063 -1.4999 0.0 0
M  V30 22 C -4.4881 1.1401 0.0 0
M  V30 23 N -4.0246 -2.7135 0.0 0
M  V30 24 O -6.4063 -1.4999 0.0 0
M  V30 25 C -4.4881 -4.1401 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 2
M  V30 5 1 5 6 CFG=1
M  V30 6 1 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 2 17 20
M  V30 20 1 19 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 21 24
M  V30 24 1 23 25
M  V30 25 1 18 20
M  V30 26 1 21 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000050164326

>  <name>
NA

>  <smiles>
Cn1c2ccc(NC(=O)C(=O)NCC(O)C(F)(F)F)cc2n(C)c1=O

$$$$
ZINC000544686678
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.7499 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 N 7.6099 2.5036 0.0 0
M  V30 6 C 5.1961 2.25 0.0 0
M  V30 7 C 3.8971 0.0 0.0 0
M  V30 8 C 6.9998 3.874 0.0 0
M  V30 9 N 3.8971 1.5 0.0 0
M  V30 10 N 5.508 3.7172 0.0 0
M  V30 11 C 2.598 -0.75 0.0 0
M  V30 12 O 2.598 -2.25 0.0 0
M  V30 13 N 1.299 0.0 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 C -0.0785 0.7479 0.0 0
M  V30 16 C -0.1567 -2.2417 0.0 0
M  V30 17 C -1.3703 -0.1398 0.0 0
M  V30 18 C -1.415 1.4289 0.0 0
M  V30 19 C 1.1795 1.5649 0.0 0
M  V30 20 C -1.624 -2.5536 0.0 0
M  V30 21 C -2.374 -1.2546 0.0 0
M  V30 22 C -1.4935 2.9268 0.0 0
M  V30 23 C 1.1009 3.0628 0.0 0
M  V30 24 C -0.2355 3.7438 0.0 0
M  V30 25 C -2.83 3.6078 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 1 17 21
M  V30 21 1 18 22
M  V30 22 2 19 23
M  V30 23 2 22 24
M  V30 24 1 22 25
M  V30 25 1 7 9
M  V30 26 2 8 10
M  V30 27 1 20 21
M  V30 28 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000544686678

>  <name>
NA

>  <smiles>
Cc1cccc(c1)C1(CCCC1)NC(=O)c1cc(=O)n2[nH]cnc2n1

$$$$
ZINC001559759979
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 -0.5 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 N 6.0621 0.9999 0.0 0
M  V30 4 C 5.1961 -0.4999 0.0 0
M  V30 5 N 6.8053 1.6691 0.0 0
M  V30 6 C 5.1961 1.4999 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 6.3985 2.5826 0.0 0
M  V30 9 N 5.404 2.4781 0.0 0
M  V30 10 N 4.3301 1.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 6.8985 3.4487 0.0 0
M  V30 13 N 2.598 0.0 0.0 0
M  V30 14 C 1.732 -0.5 0.0 0 CFG=2
M  V30 15 C 1.732 -1.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 2.598 -0.9999 0.0 0
M  V30 18 C 0.866 -1.9999 0.0 0
M  V30 19 C 2.598 -2.0 0.0 0
M  V30 20 O 0.0 -0.5 0.0 0
M  V30 21 C 0.866 -2.9999 0.0 0
M  V30 22 C 2.598 -3.0 0.0 0
M  V30 23 C 1.732 -3.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 14 17 CFG=1
M  V30 17 2 15 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 2 21 23
M  V30 23 1 7 10
M  V30 24 1 8 9
M  V30 25 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001559759979

>  <name>
NA

>  <smiles>
CC(CO)(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccccc1

$$$$
ZINC001642477614
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 6.4951 0.0 0.0 0
M  V30 2 O 7.7942 -0.75 0.0 0
M  V30 3 C 5.1961 -0.75 0.0 0
M  V30 4 C 6.4951 1.5 0.0 0
M  V30 5 C 3.8971 0.0 0.0 0
M  V30 6 N 2.598 -0.75 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 1.299 0.0 0.0 0
M  V30 9 C 5.1961 2.25 0.0 0
M  V30 10 C 2.598 2.2499 0.0 0
M  V30 11 C 0.0 -0.75 0.0 0
M  V30 12 C 5.1961 3.75 0.0 0
M  V30 13 C 2.598 3.75 0.0 0
M  V30 14 N -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.2499 0.0 0
M  V30 16 C 3.8971 4.5 0.0 0
M  V30 17 C -2.598 -0.7499 0.0 0
M  V30 18 C -1.299 -2.9999 0.0 0
M  V30 19 N -4.0246 -0.2864 0.0 0
M  V30 20 N -2.598 -2.2499 0.0 0
M  V30 21 O -1.299 -4.4999 0.0 0
M  V30 22 C -4.9063 -1.4999 0.0 0
M  V30 23 N -4.0246 -2.7135 0.0 0
M  V30 24 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 1 3
M  V30 3 1 1 4
M  V30 4 1 3 5
M  V30 5 1 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 1 7 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 2 10 13
M  V30 13 1 11 14
M  V30 14 2 11 15
M  V30 15 2 12 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 22 24
M  V30 24 1 13 16
M  V30 25 1 18 20
M  V30 26 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001642477614

>  <name>
NA

>  <smiles>
C[S+]([O-])CC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccccc1

$$$$
ZINC000332302444
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 9.0932 -3.0 0.0 0
M  V30 2 C 7.7942 -2.25 0.0 0
M  V30 3 C 7.7942 -0.75 0.0 0
M  V30 4 C 6.4952 -3.0 0.0 0
M  V30 5 C 6.4952 0.0 0.0 0
M  V30 6 C 5.1961 -2.25 0.0 0
M  V30 7 N 6.4952 1.5 0.0 0
M  V30 8 C 5.1961 -0.75 0.0 0
M  V30 9 C 5.1961 2.25 0.0 0
M  V30 10 C 3.8971 0.0 0.0 0
M  V30 11 O 5.1961 3.75 0.0 0
M  V30 12 C 3.8971 1.5 0.0 0
M  V30 13 C 2.598 -0.75 0.0 0 CFG=2
M  V30 14 O 2.598 -2.25 0.0 0
M  V30 15 N 1.299 0.0 0.0 0
M  V30 16 C 0.0 -0.75 0.0 0
M  V30 17 C -1.299 0.0 0.0 0
M  V30 18 C 0.0 -2.25 0.0 0
M  V30 19 C -2.598 -0.75 0.0 0
M  V30 20 C -1.299 -3.0 0.0 0
M  V30 21 C -2.598 -2.25 0.0 0
M  V30 22 F -4.098 -2.2499 0.0 0
M  V30 23 F -3.348 -3.549 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 13 10
M  V30 13 1 13 14 CFG=3
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 1 21 23
M  V30 23 1 6 8
M  V30 24 2 10 12
M  V30 25 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000332302444

>  <name>
NA

>  <smiles>
OC(NC1CCC(F)(F)CC1)c1cc(=O)[nH]c2cc(F)ccc12

$$$$
ZINC000680431933
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.3546 -2.6785 0.0 0
M  V30 2 C 2.516 -2.1339 0.0 0
M  V30 3 C 2.5683 -1.1352 0.0 0
M  V30 4 C 1.625 -2.5879 0.0 0
M  V30 5 C 1.7296 -0.5906 0.0 0
M  V30 6 C 0.7863 -2.0432 0.0 0
M  V30 7 C 0.8386 -1.0446 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.9135 -0.0932 0.0 0
M  V30 11 C -0.1045 -1.4945 0.0 0
M  V30 12 C 0.866 0.9999 0.0 0
M  V30 13 C -1.5826 -0.8364 0.0 0
M  V30 14 C -1.0826 -1.7024 0.0 0
M  V30 15 O 1.732 1.4999 0.0 0
M  V30 16 C 0.0 1.5 0.0 0
M  V30 17 C -0.866 1.0 0.0 0
M  V30 18 C 0.0 2.5 0.0 0
M  V30 19 C -1.732 1.4999 0.0 0
M  V30 20 C -0.866 2.9999 0.0 0
M  V30 21 O -2.598 1.0 0.0 0
M  V30 22 N -1.732 2.5 0.0 0
M  V30 23 C -0.866 4.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 6 7
M  V30 24 1 13 14
M  V30 25 1 20 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000680431933

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1ccc(F)cc1

$$$$
ZINC000152379506
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 3.3546 -2.6785 0.0 0
M  V30 2 C 2.516 -2.1339 0.0 0
M  V30 3 C 2.5683 -1.1352 0.0 0
M  V30 4 C 1.625 -2.5879 0.0 0
M  V30 5 C 1.7296 -0.5906 0.0 0
M  V30 6 C 0.7863 -2.0432 0.0 0
M  V30 7 C 0.8386 -1.0446 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.9135 -0.0932 0.0 0
M  V30 11 C -0.1045 -1.4945 0.0 0
M  V30 12 C 0.866 0.9999 0.0 0
M  V30 13 C -1.5826 -0.8364 0.0 0
M  V30 14 C -1.0826 -1.7024 0.0 0
M  V30 15 O 1.732 1.4999 0.0 0
M  V30 16 C 0.0 1.5 0.0 0 CFG=2
M  V30 17 C -0.866 1.0 0.0 0
M  V30 18 C 0.0 2.5 0.0 0
M  V30 19 C -1.732 1.4999 0.0 0
M  V30 20 C -0.866 2.9999 0.0 0
M  V30 21 O -2.598 1.0 0.0 0
M  V30 22 N -1.732 2.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 16 12 CFG=3
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 6 7
M  V30 23 1 13 14
M  V30 24 1 20 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 16)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000152379506

>  <name>
NA

>  <smiles>
Clc1ccc(cc1)C1(CCCC1)NC(=O)C1CCNC(=O)C1

$$$$
ZINC000546831564
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl -1.8866 2.4052 0.0 0
M  V30 2 C -0.9956 1.9512 0.0 0
M  V30 3 C -0.9433 0.9526 0.0 0
M  V30 4 C -0.157 2.4958 0.0 0
M  V30 5 C -0.0523 0.4986 0.0 0
M  V30 6 C 0.7339 2.0418 0.0 0
M  V30 7 C 0.7863 1.0432 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.1045 -1.4945 0.0 0
M  V30 11 C -0.9135 -0.0932 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 C -1.0826 -1.7024 0.0 0
M  V30 14 C -1.5826 -0.8364 0.0 0
M  V30 15 O 2.598 0.0 0.0 0
M  V30 16 C 1.732 -1.5 0.0 0
M  V30 17 N 2.598 -1.9999 0.0 0
M  V30 18 C 0.866 -1.9999 0.0 0
M  V30 19 C 2.598 -2.9999 0.0 0
M  V30 20 C 0.866 -3.0 0.0 0
M  V30 21 N 3.3412 -3.6691 0.0 0
M  V30 22 N 1.732 -3.4999 0.0 0
M  V30 23 O 0.0 -3.4999 0.0 0
M  V30 24 C 2.9344 -4.5826 0.0 0
M  V30 25 N 1.9399 -4.4781 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 16 17
M  V30 17 2 16 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 2 21 24
M  V30 24 1 22 25
M  V30 25 1 6 7
M  V30 26 1 13 14
M  V30 27 1 20 22
M  V30 28 1 24 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000546831564

>  <name>
NA

>  <smiles>
Clc1cccc(c1)C1(CCCC1)NC(=O)c1cc(=O)n2[nH]cnc2n1

$$$$
ZINC000368256352
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.0621 -2.0 0.0 0
M  V30 2 C 5.1961 -1.5 0.0 0
M  V30 3 C 5.1961 -0.5 0.0 0
M  V30 4 C 4.3301 -1.9999 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0
M  V30 6 C 3.4641 -1.4999 0.0 0
M  V30 7 N 4.3301 0.9999 0.0 0
M  V30 8 C 3.4641 -0.4999 0.0 0
M  V30 9 C 3.4641 1.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 O 3.4641 2.5 0.0 0
M  V30 12 C 2.598 0.9999 0.0 0
M  V30 13 C 1.732 -0.5 0.0 0 CFG=2
M  V30 14 O 1.732 -1.5 0.0 0
M  V30 15 N 0.866 0.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 C -0.9981 -0.4393 0.0 0
M  V30 18 C 0.2507 -1.468 0.0 0
M  V30 19 C -0.9825 0.4662 0.0 0
M  V30 20 C -1.3643 -1.3698 0.0 0
M  V30 21 C -0.5924 -2.0056 0.0 0
M  V30 22 C -1.8257 -0.0713 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 13 10
M  V30 13 1 13 14 CFG=3
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 6 8
M  V30 23 2 10 12
M  V30 24 1 20 21
M  V30 25 1 20 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000368256352

>  <name>
NA

>  <smiles>
OC(NC12CCC(CC1)C2)c1cc(=O)[nH]c2cc(F)ccc12

$$$$
ZINC001567996916
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.5385 -7.6947 0.0 0
M  V30 2 C 3.617 -6.1967 0.0 0
M  V30 3 N 4.9535 -5.5157 0.0 0
M  V30 4 C 2.359 -5.3798 0.0 0
M  V30 5 C 5.032 -4.0178 0.0 0
M  V30 6 C 2.4375 -3.8818 0.0 0 CFG=2
M  V30 7 C 3.774 -3.2008 0.0 0
M  V30 8 C 1.1795 -3.0649 0.0 0
M  V30 9 O -0.157 -3.7458 0.0 0
M  V30 10 N 1.258 -1.5669 0.0 0
M  V30 11 C 0.0 -0.75 0.0 0
M  V30 12 C -1.3703 -0.1398 0.0 0
M  V30 13 C -0.1567 -2.2417 0.0 0
M  V30 14 C 1.299 0.0 0.0 0
M  V30 15 C -2.374 -1.2546 0.0 0
M  V30 16 C -1.624 -2.5536 0.0 0
M  V30 17 N 2.598 -0.75 0.0 0
M  V30 18 C 3.8971 0.0 0.0 0
M  V30 19 C 5.1961 -0.75 0.0 0
M  V30 20 C 6.4951 0.0 0.0 0
M  V30 21 C 7.7942 -0.75 0.0 0
M  V30 22 C 9.0932 0.0 0.0 0
M  V30 23 C 10.3923 -0.75 0.0 0
M  V30 24 C 11.6913 0.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 1 5 7
M  V30 7 1 6 8 CFG=1
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 2 20 21 CFG=2
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 23 24
M  V30 24 1 6 7
M  V30 25 1 15 16
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001567996916

>  <name>
NA

>  <smiles>
CCCC=CCCNCC1(CCCC1)NC(=O)C1CCNC(=O)C1

$$$$
ZINC000680348842
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 0.7248 1.1279 0.0 0
M  V30 2 C -0.0523 0.4986 0.0 0
M  V30 3 C 0.3664 2.0615 0.0 0
M  V30 4 N -0.891 1.0432 0.0 0
M  V30 5 C 0.0 -0.5 0.0 0
M  V30 6 C -0.6321 2.0091 0.0 0
M  V30 7 N 0.866 0.0 0.0 0
M  V30 8 C -0.1045 -1.4945 0.0 0
M  V30 9 C -0.9135 -0.0932 0.0 0
M  V30 10 C 1.732 -0.5 0.0 0
M  V30 11 C -1.0826 -1.7024 0.0 0
M  V30 12 C -1.5826 -0.8364 0.0 0
M  V30 13 O 2.598 0.0 0.0 0
M  V30 14 C 1.732 -1.5 0.0 0
M  V30 15 C 0.866 -2.0 0.0 0
M  V30 16 C 2.598 -1.9999 0.0 0
M  V30 17 C 0.866 -3.0 0.0 0
M  V30 18 C 2.598 -2.9999 0.0 0
M  V30 19 O 0.0 -3.5 0.0 0
M  V30 20 N 1.732 -3.5 0.0 0
M  V30 21 C 3.4641 -3.4999 0.0 0
M  V30 22 C 4.3301 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 2 10 13
M  V30 13 1 10 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 21 22
M  V30 22 1 4 6
M  V30 23 1 11 12
M  V30 24 1 18 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000680348842

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1nccs1

$$$$
ZINC001556591813
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 5.1961 2.4999 0.0 0
M  V30 2 C 5.1961 1.4999 0.0 0
M  V30 3 C 4.3301 1.0 0.0 0
M  V30 4 C 6.0621 0.9999 0.0 0
M  V30 5 F 3.4641 1.5 0.0 0
M  V30 6 C 4.3301 0.0 0.0 0
M  V30 7 O 6.9282 1.4999 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 N 3.4641 -0.5 0.0 0
M  V30 10 C 5.1961 -0.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 O 2.598 1.0 0.0 0
M  V30 13 C 1.732 -0.5 0.0 0
M  V30 14 O 1.732 -1.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.9135 -0.0932 0.0 0
M  V30 19 N -0.1045 -1.4945 0.0 0
M  V30 20 C -1.5826 -0.8364 0.0 0
M  V30 21 C -1.0826 -1.7024 0.0 0
M  V30 22 C -2.5826 -0.8364 0.0 0
M  V30 23 C -1.5826 -2.5684 0.0 0
M  V30 24 C -3.0826 -1.7024 0.0 0
M  V30 25 C -2.5826 -2.5684 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 2 4 8
M  V30 8 1 6 9
M  V30 9 2 6 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 2 23 25
M  V30 25 1 8 10
M  V30 26 2 20 21
M  V30 27 1 24 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001556591813

>  <name>
NA

>  <smiles>
OC(Nc1ccc(O)c(F)c1F)C(=O)C(O)c1nc2ccccc2[nH]1

$$$$
ZINC000544493854
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br -0.314 5.2417 0.0 0
M  V30 2 C -0.2355 3.7438 0.0 0
M  V30 3 C 1.1009 3.0628 0.0 0
M  V30 4 C -1.4935 2.9268 0.0 0
M  V30 5 C 1.1795 1.5649 0.0 0
M  V30 6 C -1.415 1.4289 0.0 0
M  V30 7 C -0.0785 0.7479 0.0 0
M  V30 8 C 0.0 -0.75 0.0 0
M  V30 9 N 1.299 0.0 0.0 0
M  V30 10 C -0.1567 -2.2417 0.0 0
M  V30 11 C -1.3703 -0.1398 0.0 0
M  V30 12 C 2.598 -0.75 0.0 0
M  V30 13 C -1.624 -2.5536 0.0 0
M  V30 14 C -2.374 -1.2546 0.0 0
M  V30 15 O 3.8971 0.0 0.0 0
M  V30 16 C 2.598 -2.25 0.0 0
M  V30 17 C 1.299 -3.0 0.0 0
M  V30 18 C 3.8971 -2.9999 0.0 0
M  V30 19 C 1.299 -4.5 0.0 0
M  V30 20 C 3.8971 -4.4999 0.0 0
M  V30 21 O 0.0 -5.25 0.0 0
M  V30 22 N 2.598 -5.25 0.0 0
M  V30 23 C 5.1961 -5.2499 0.0 0
M  V30 24 C 6.4951 -4.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 6 7
M  V30 25 1 13 14
M  V30 26 1 20 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000544493854

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1ccc(Br)cc1

$$$$
ZINC000268867207
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.9535 -2.6159 0.0 0
M  V30 2 C 4.5467 -1.7024 0.0 0
M  V30 3 O 5.0467 -0.8364 0.0 0
M  V30 4 C 3.5686 -1.4945 0.0 0
M  V30 5 C 4.3776 -0.0932 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 7 C 2.598 0.0 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 O 1.732 -1.5 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 N -0.9135 -0.0932 0.0 0
M  V30 13 C -0.1045 -1.4945 0.0 0
M  V30 14 N -1.5826 -0.8364 0.0 0
M  V30 15 C -1.1214 0.8848 0.0 0
M  V30 16 C -1.0826 -1.7024 0.0 0
M  V30 17 C -0.3783 1.554 0.0 0
M  V30 18 C -2.0725 1.1939 0.0 0
M  V30 19 C -1.4894 -2.6159 0.0 0
M  V30 20 C -0.5862 2.5321 0.0 0
M  V30 21 C -2.2804 2.172 0.0 0
M  V30 22 C -2.2984 -3.2037 0.0 0
M  V30 23 C -1.3848 -3.6105 0.0 0
M  V30 24 C -1.5372 2.8411 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 1 6 7 CFG=3
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 2 10 11 CFG=2
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 19 23
M  V30 23 2 20 24
M  V30 24 1 5 6
M  V30 25 1 14 16
M  V30 26 1 21 24
M  V30 27 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000268867207

>  <name>
NA

>  <smiles>
O=C(CC1COC(=O)C1)N=c1cc([nH]n1-c1ccccc1)C1CC1

$$$$
ZINC000408165242
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S -0.891 1.0432 0.0 0
M  V30 2 C -0.0523 0.4986 0.0 0
M  V30 3 C -0.6321 2.0091 0.0 0
M  V30 4 N 0.7248 1.1279 0.0 0
M  V30 5 C 0.0 -0.5 0.0 0
M  V30 6 C 0.3664 2.0615 0.0 0
M  V30 7 N 0.866 0.0 0.0 0
M  V30 8 C -0.1045 -1.4945 0.0 0
M  V30 9 C -0.9135 -0.0932 0.0 0
M  V30 10 C 0.911 2.9002 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0
M  V30 12 C -1.0826 -1.7024 0.0 0
M  V30 13 C -1.5826 -0.8364 0.0 0
M  V30 14 O 2.598 0.0 0.0 0
M  V30 15 C 1.732 -1.5 0.0 0
M  V30 16 C 0.866 -1.9999 0.0 0
M  V30 17 C 2.598 -2.0 0.0 0
M  V30 18 C 0.866 -2.9999 0.0 0
M  V30 19 C 2.598 -3.0 0.0 0
M  V30 20 O 0.0 -3.4999 0.0 0
M  V30 21 N 1.732 -3.5 0.0 0
M  V30 22 C 3.4641 -3.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 8 12
M  V30 12 1 9 13
M  V30 13 2 11 14
M  V30 14 1 11 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 4 6
M  V30 23 1 12 13
M  V30 24 1 19 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000408165242

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1nc(C)cs1

$$$$
ZINC000494270542
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 10.3923 -0.75 0.0 0
M  V30 2 C 9.0932 0.0 0.0 0
M  V30 3 F 9.0932 1.4999 0.0 0
M  V30 4 C 7.7942 -0.75 0.0 0 CFG=1
M  V30 5 O 7.7942 -2.25 0.0 0
M  V30 6 C 6.4951 0.0 0.0 0
M  V30 7 N 5.1961 -0.75 0.0 0
M  V30 8 C 3.8971 0.0 0.0 0
M  V30 9 O 3.8971 1.5 0.0 0
M  V30 10 C 2.598 -0.75 0.0 0
M  V30 11 O 2.598 -2.25 0.0 0
M  V30 12 N 1.299 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 C -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.2499 0.0 0
M  V30 16 C -2.598 -0.7499 0.0 0
M  V30 17 C -1.299 -2.9999 0.0 0
M  V30 18 N -4.0246 -0.2864 0.0 0
M  V30 19 C -2.598 -2.2499 0.0 0
M  V30 20 C -4.9063 -1.4999 0.0 0
M  V30 21 C -4.4881 1.1401 0.0 0
M  V30 22 N -4.0246 -2.7135 0.0 0
M  V30 23 O -6.4063 -1.4999 0.0 0
M  V30 24 C -4.4881 -4.1401 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 4 2
M  V30 4 1 4 5 CFG=1
M  V30 5 1 4 6
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 16 18
M  V30 18 2 16 19
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 22 24
M  V30 24 1 17 19
M  V30 25 1 20 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 4)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000494270542

>  <name>
NA

>  <smiles>
Cn1c2ccc(NC(=O)C(=O)NCC(O)C(F)F)cc2n(C)c1=O

$$$$
ZINC001506515964
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.3301 0.0 0.0 0
M  V30 2 C 3.4641 -0.5 0.0 0
M  V30 3 C 2.598 0.0 0.0 0
M  V30 4 N 1.732 -0.5 0.0 0
M  V30 5 C 0.866 0.0 0.0 0
M  V30 6 C 0.0 -0.5 0.0 0
M  V30 7 N 0.866 -1.0 0.0 0
M  V30 8 C -0.866 0.0 0.0 0
M  V30 9 C 0.0 -1.4999 0.0 0
M  V30 10 C 0.866 -2.0 0.0 0 CFG=1
M  V30 11 C -1.732 -0.4999 0.0 0
M  V30 12 C -0.866 -1.9999 0.0 0
M  V30 13 O 0.0 -2.5 0.0 0
M  V30 14 C 1.732 -2.5 0.0 0
M  V30 15 C -1.732 -1.4999 0.0 0
M  V30 16 C 1.732 -3.5 0.0 0
M  V30 17 C 2.598 -2.0 0.0 0
M  V30 18 C 2.598 -4.0 0.0 0
M  V30 19 C 0.866 -4.0 0.0 0
M  V30 20 C 3.4641 -2.5 0.0 0
M  V30 21 N 3.4641 -3.5 0.0 0
M  V30 22 C 2.598 -5.0 0.0 0
M  V30 23 C 0.866 -5.0 0.0 0
M  V30 24 O 4.3301 -2.0 0.0 0
M  V30 25 C 1.732 -5.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 5 6
M  V30 6 1 6 7
M  V30 7 1 6 8
M  V30 8 1 6 9
M  V30 9 1 10 7
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13 CFG=3
M  V30 13 1 10 14
M  V30 14 1 11 15
M  V30 15 1 14 16
M  V30 16 2 14 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 18 22
M  V30 22 2 19 23
M  V30 23 2 20 24
M  V30 24 2 22 25
M  V30 25 1 12 15
M  V30 26 1 20 21
M  V30 27 1 23 25
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 10)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001506515964

>  <name>
NA

>  <smiles>
OC(NC1(CNCCF)CCCCC1)c1cc(=O)[nH]c2ccccc12

$$$$
ZINC001698634277
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.359 -5.1298 0.0 0
M  V30 2 C 2.4113 -4.1311 0.0 0
M  V30 3 N 3.3023 -3.6771 0.0 0
M  V30 4 C 1.5726 -3.5865 0.0 0
M  V30 5 C 3.3546 -2.6785 0.0 0
M  V30 6 C 1.625 -2.5879 0.0 0
M  V30 7 O 4.2456 -2.2245 0.0 0
M  V30 8 C 2.516 -2.1339 0.0 0
M  V30 9 C 0.7863 -2.0432 0.0 0 CFG=2
M  V30 10 O -0.1046 -2.4972 0.0 0
M  V30 11 N 0.8386 -1.0446 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C -0.9135 -0.0932 0.0 0
M  V30 14 C -0.1045 -1.4945 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 C -1.5826 -0.8364 0.0 0
M  V30 17 C -1.0826 -1.7024 0.0 0
M  V30 18 N 1.732 -0.5 0.0 0
M  V30 19 C 2.598 0.0 0.0 0
M  V30 20 C 3.4641 -0.5 0.0 0
M  V30 21 C 3.7229 -1.4659 0.0 0
M  V30 22 C 4.43 -0.2411 0.0 0
M  V30 23 C 4.6888 -1.2071 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 9 6
M  V30 9 1 9 10 CFG=3
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 6 8
M  V30 24 1 16 17
M  V30 25 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001698634277

>  <name>
NA

>  <smiles>
OC(NC1(CNCC2CCC2)CCCC1)c1cc(O)[nH]c(=O)c1

$$$$
ZINC001100663034
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.0706 -6.4504 0.0 0
M  V30 2 C 7.0651 -6.5549 0.0 0
M  V30 3 F 7.4718 -7.4685 0.0 0
M  V30 4 C 7.6529 -5.7459 0.0 0
M  V30 5 N 8.6529 -5.7459 0.0 0
M  V30 6 C 7.3439 -4.7948 0.0 0
M  V30 7 N 8.9619 -4.7948 0.0 0
M  V30 8 C 8.1529 -4.2071 0.0 0
M  V30 9 C 8.1529 -3.2071 0.0 0
M  V30 10 O 9.0189 -2.7071 0.0 0
M  V30 11 N 7.2869 -2.7071 0.0 0
M  V30 12 C 7.2869 -1.7071 0.0 0
M  V30 13 C 6.4208 -1.2071 0.0 0
M  V30 14 C 6.162 -0.2411 0.0 0
M  V30 15 C 5.4549 -1.4659 0.0 0
M  V30 16 C 5.1961 -0.5 0.0 0
M  V30 17 N 4.3301 0.0 0.0 0
M  V30 18 C 3.4641 -0.5 0.0 0
M  V30 19 C 2.598 0.0 0.0 0
M  V30 20 O 2.598 1.0 0.0 0
M  V30 21 N 1.732 -0.5 0.0 0
M  V30 22 C 0.866 0.0 0.0 0
M  V30 23 O 0.866 1.0 0.0 0
M  V30 24 N 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 4 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 2 22 23
M  V30 23 1 22 24
M  V30 24 2 7 8
M  V30 25 1 15 16
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001100663034

>  <name>
NA

>  <smiles>
NC(=O)NC(=O)CNC1CC(CNC(=O)c2cc([nH]n2)C(F)F)C1

$$$$
ZINC000568195359
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl -1.8866 2.4052 0.0 0
M  V30 2 C -0.9956 1.9512 0.0 0
M  V30 3 C -0.9433 0.9526 0.0 0
M  V30 4 C -0.157 2.4958 0.0 0
M  V30 5 C -0.0523 0.4986 0.0 0
M  V30 6 C 0.7339 2.0418 0.0 0
M  V30 7 C 0.7863 1.0432 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.1045 -1.4945 0.0 0
M  V30 11 C -0.9135 -0.0932 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 C -1.0826 -1.7024 0.0 0
M  V30 14 C -1.5826 -0.8364 0.0 0
M  V30 15 O 2.598 0.0 0.0 0
M  V30 16 C 1.732 -1.5 0.0 0
M  V30 17 N 2.598 -1.9999 0.0 0
M  V30 18 C 0.866 -2.0 0.0 0
M  V30 19 C 2.598 -2.9999 0.0 0
M  V30 20 C 0.866 -3.0 0.0 0
M  V30 21 N 1.732 -3.5 0.0 0
M  V30 22 C 3.4641 -3.4999 0.0 0
M  V30 23 O 0.0 -3.5 0.0 0
M  V30 24 C 4.4641 -3.4999 0.0 0
M  V30 25 C 3.9641 -4.366 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 16 17
M  V30 17 2 16 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 22 24
M  V30 24 1 22 25
M  V30 25 1 6 7
M  V30 26 1 13 14
M  V30 27 1 20 21
M  V30 28 1 24 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000568195359

>  <name>
NA

>  <smiles>
Clc1cccc(c1)C1(CCCC1)NC(=O)c1cc(=O)[nH]c(n1)C1CC1

$$$$
ZINC000121119926
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.9535 -2.6159 0.0 0
M  V30 2 C 4.5467 -1.7024 0.0 0
M  V30 3 O 5.0467 -0.8364 0.0 0
M  V30 4 C 3.5686 -1.4945 0.0 0
M  V30 5 C 4.3776 -0.0932 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 7 C 2.598 0.0 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 O 1.732 -1.5 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 N -0.9135 -0.0932 0.0 0
M  V30 13 C -0.1045 -1.4945 0.0 0
M  V30 14 N -1.5826 -0.8364 0.0 0
M  V30 15 C -1.1214 0.8848 0.0 0
M  V30 16 C -1.0826 -1.7024 0.0 0
M  V30 17 C -0.3783 1.554 0.0 0
M  V30 18 C -2.0725 1.1939 0.0 0
M  V30 19 C -1.4894 -2.6159 0.0 0
M  V30 20 C -0.5862 2.5321 0.0 0
M  V30 21 C -2.2804 2.172 0.0 0
M  V30 22 C -2.4229 -2.9743 0.0 0
M  V30 23 C -1.131 -3.5495 0.0 0
M  V30 24 C -1.5372 2.8411 0.0 0
M  V30 25 C -2.0646 -3.9079 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 1 6 7 CFG=3
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 2 10 11 CFG=2
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 19 23
M  V30 23 2 20 24
M  V30 24 1 22 25
M  V30 25 1 5 6
M  V30 26 1 14 16
M  V30 27 1 21 24
M  V30 28 1 23 25
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000121119926

>  <name>
NA

>  <smiles>
O=C(CC1COC(=O)C1)N=c1cc([nH]n1-c1ccccc1)C1CCC1

$$$$
ZINC000578468547
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F -0.314 5.2417 0.0 0
M  V30 2 C -0.2355 3.7438 0.0 0
M  V30 3 C 1.1009 3.0628 0.0 0
M  V30 4 C -1.4935 2.9268 0.0 0
M  V30 5 C 1.1795 1.5649 0.0 0
M  V30 6 C -1.415 1.4289 0.0 0
M  V30 7 C -0.0785 0.7479 0.0 0
M  V30 8 C 0.0 -0.75 0.0 0
M  V30 9 N 1.299 0.0 0.0 0
M  V30 10 C -0.1567 -2.2417 0.0 0
M  V30 11 C -1.3703 -0.1398 0.0 0
M  V30 12 C 2.598 -0.75 0.0 0
M  V30 13 C -1.624 -2.5536 0.0 0
M  V30 14 C -2.374 -1.2546 0.0 0
M  V30 15 O 3.8971 0.0 0.0 0
M  V30 16 C 2.598 -2.25 0.0 0
M  V30 17 C 1.299 -3.0 0.0 0
M  V30 18 C 3.8971 -2.9999 0.0 0
M  V30 19 C 1.299 -4.5 0.0 0
M  V30 20 C 3.8971 -4.4999 0.0 0
M  V30 21 O 0.0 -5.25 0.0 0
M  V30 22 N 2.598 -5.25 0.0 0
M  V30 23 C 5.1961 -5.2499 0.0 0
M  V30 24 C 6.4951 -4.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 6 7
M  V30 25 1 13 14
M  V30 26 1 20 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000578468547

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1ccc(F)cc1

$$$$
ZINC000680350343
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.38 1.0762 0.0 0
M  V30 2 C 0.9942 1.6503 0.0 0
M  V30 3 C -0.1957 0.7371 0.0 0
M  V30 4 C 0.7984 3.1374 0.0 0
M  V30 5 C -1.5816 1.3111 0.0 0
M  V30 6 C 0.0 -0.75 0.0 0
M  V30 7 C -0.5873 3.7115 0.0 0
M  V30 8 C -1.7773 2.7983 0.0 0
M  V30 9 N 1.299 0.0 0.0 0
M  V30 10 C -0.3882 -2.1988 0.0 0
M  V30 11 C -1.4488 -0.3617 0.0 0
M  V30 12 F -0.7831 5.1986 0.0 0
M  V30 13 C 2.598 -0.75 0.0 0
M  V30 14 C -1.8371 -1.8106 0.0 0
M  V30 15 O 3.8971 0.0 0.0 0
M  V30 16 C 2.598 -2.25 0.0 0
M  V30 17 C 1.299 -3.0 0.0 0
M  V30 18 C 3.8971 -2.9999 0.0 0
M  V30 19 C 1.299 -4.5 0.0 0
M  V30 20 C 3.8971 -4.4999 0.0 0
M  V30 21 O 0.0 -5.25 0.0 0
M  V30 22 N 2.598 -5.25 0.0 0
M  V30 23 C 5.1961 -5.2499 0.0 0
M  V30 24 C 6.4951 -4.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 6 11
M  V30 11 1 7 12
M  V30 12 1 9 13
M  V30 13 1 10 14
M  V30 14 2 13 15
M  V30 15 1 13 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 7 8
M  V30 25 1 11 14
M  V30 26 1 20 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000680350343

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CCC1)c1ccc(F)cc1F

$$$$
ZINC001176128195
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 11.2583 0.0 0.0 0
M  V30 2 C 10.3923 -0.5 0.0 0
M  V30 3 N 9.5262 0.0 0.0 0
M  V30 4 N 10.3923 -1.5 0.0 0
M  V30 5 C 8.6602 -0.5 0.0 0
M  V30 6 O 8.6602 -1.4999 0.0 0
M  V30 7 C 7.7942 0.0 0.0 0
M  V30 8 N 6.9282 -0.5 0.0 0
M  V30 9 C 6.0621 0.0 0.0 0
M  V30 10 C 5.1961 -0.5 0.0 0
M  V30 11 C 4.3301 0.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0
M  V30 13 C 2.598 0.0 0.0 0 CFG=1
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 2.598 1.0 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 O 0.866 1.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 N -0.9135 -0.0932 0.0 0
M  V30 20 C -0.1045 -1.4945 0.0 0
M  V30 21 C -1.5826 -0.8364 0.0 0
M  V30 22 C -1.0826 -1.7024 0.0 0
M  V30 23 C -2.5608 -1.0443 0.0 0
M  V30 24 C -1.7518 -2.4455 0.0 0
M  V30 25 C -2.6653 -2.0388 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 13 12
M  V30 13 1 13 14 CFG=1
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 2 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 23 25
M  V30 25 2 21 22
M  V30 26 1 24 25
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001176128195

>  <name>
NA

>  <smiles>
CC(CCCCNCC(=O)NC(N)=O)NC(=O)c1cc2CCCc2[nH]1

$$$$
ZINC001421507511
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 4.5467 -1.7024 0.0 0
M  V30 2 C 5.0467 -0.8364 0.0 0
M  V30 3 C 3.5686 -1.4945 0.0 0
M  V30 4 N 4.3776 -0.0932 0.0 0
M  V30 5 C 3.4641 -0.5 0.0 0
M  V30 6 C 2.598 0.0 0.0 0
M  V30 7 N 1.732 -0.5 0.0 0
M  V30 8 C 0.866 0.0 0.0 0
M  V30 9 C 0.0 -0.5 0.0 0
M  V30 10 N 0.8386 -1.0446 0.0 0
M  V30 11 C -0.9135 -0.0932 0.0 0
M  V30 12 C -0.1045 -1.4945 0.0 0
M  V30 13 C 0.7863 -2.0432 0.0 0
M  V30 14 C -1.5826 -0.8364 0.0 0
M  V30 15 C -1.0826 -1.7024 0.0 0
M  V30 16 O -0.1046 -2.4972 0.0 0
M  V30 17 C 1.625 -2.5879 0.0 0 CFG=2
M  V30 18 C 1.5726 -3.5865 0.0 0
M  V30 19 C 2.516 -2.1339 0.0 0
M  V30 20 C 2.4113 -4.1311 0.0 0
M  V30 21 C 3.3546 -2.6785 0.0 0
M  V30 22 O 2.359 -5.1298 0.0 0
M  V30 23 N 3.3023 -3.6771 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 2 3 5
M  V30 5 1 5 6
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 1 17 13 CFG=1
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 4 5
M  V30 24 1 14 15
M  V30 25 1 21 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 17)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001421507511

>  <name>
NA

>  <smiles>
O=C(NC1(CNCc2cscn2)CCCC1)C1CCNC(=O)C1

$$$$
ZINC001062798137
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 1.9884 -5.3006 0.0 0
M  V30 2 C 2.119 -4.3091 0.0 0
M  V30 3 N 3.0428 -3.9264 0.0 0
M  V30 4 C 1.3256 -3.7004 0.0 0
M  V30 5 C 3.1734 -2.935 0.0 0
M  V30 6 C 1.4561 -2.7089 0.0 0
M  V30 7 C 2.38 -2.3262 0.0 0
M  V30 8 C 4.0972 -2.5523 0.0 0
M  V30 9 C 0.6628 -2.1002 0.0 0
M  V30 10 C 4.2278 -1.5609 0.0 0
M  V30 11 O -0.261 -2.4828 0.0 0
M  V30 12 N 0.7933 -1.1087 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0
M  V30 14 C -0.9659 -0.2411 0.0 0
M  V30 15 C -0.2588 -1.4659 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C -1.2247 -1.2071 0.0 0
M  V30 18 N 1.732 -0.5 0.0 0
M  V30 19 C 2.598 0.0 0.0 0
M  V30 20 O 3.4641 -0.5 0.0 0
M  V30 21 C 2.598 1.0 0.0 0
M  V30 22 C 3.407 1.5877 0.0 0
M  V30 23 C 1.789 1.5877 0.0 0
M  V30 24 C 3.098 2.5388 0.0 0
M  V30 25 C 2.098 2.5388 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 2 21 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 23 25
M  V30 25 1 6 7
M  V30 26 1 15 17
M  V30 27 1 24 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001062798137

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CNC(=O)C2=CCCC2)CCC1

$$$$
ZINC000866107501
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.9535 -2.6159 0.0 0
M  V30 2 C 4.5467 -1.7024 0.0 0
M  V30 3 O 5.0467 -0.8364 0.0 0
M  V30 4 C 3.5686 -1.4945 0.0 0
M  V30 5 C 4.3776 -0.0932 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 7 N 2.598 0.0 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 O 1.732 -1.5 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 N -0.9135 -0.0932 0.0 0
M  V30 13 C -0.1045 -1.4945 0.0 0
M  V30 14 N -1.5826 -0.8364 0.0 0
M  V30 15 C -1.1214 0.8848 0.0 0
M  V30 16 C -1.0826 -1.7024 0.0 0
M  V30 17 C -0.3783 1.554 0.0 0
M  V30 18 C -2.0725 1.1939 0.0 0
M  V30 19 C -1.4894 -2.6159 0.0 0
M  V30 20 C -0.5862 2.5321 0.0 0
M  V30 21 C -2.2804 2.172 0.0 0
M  V30 22 C -2.2984 -3.2037 0.0 0
M  V30 23 C -1.3848 -3.6105 0.0 0
M  V30 24 C -1.5372 2.8411 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 1 6 7 CFG=3
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 2 10 11 CFG=2
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 19 23
M  V30 23 2 20 24
M  V30 24 1 5 6
M  V30 25 1 14 16
M  V30 26 1 21 24
M  V30 27 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000866107501

>  <name>
NA

>  <smiles>
O=C(NC1COC(=O)C1)N=c1cc([nH]n1-c1ccccc1)C1CC1

$$$$
ZINC000265875367
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 11.199 -1.0 0.0 0
M  V30 2 C 10.199 -1.0 0.0 0
M  V30 3 N 9.6113 -0.1909 0.0 0
M  V30 4 N 9.6113 -1.809 0.0 0
M  V30 5 C 8.6602 -0.5 0.0 0
M  V30 6 C 9.9203 0.76 0.0 0
M  V30 7 C 8.6602 -1.5 0.0 0
M  V30 8 C 9.9203 -2.76 0.0 0
M  V30 9 C 7.7942 0.0 0.0 0
M  V30 10 C 7.7942 -2.0 0.0 0
M  V30 11 C 6.9282 -0.5 0.0 0
M  V30 12 C 6.9282 -1.4999 0.0 0
M  V30 13 N 6.0621 0.0 0.0 0
M  V30 14 C 5.1961 -0.5 0.0 0
M  V30 15 O 5.1961 -1.4999 0.0 0
M  V30 16 C 4.3301 0.0 0.0 0
M  V30 17 O 4.3301 1.0 0.0 0
M  V30 18 N 3.4641 -0.5 0.0 0
M  V30 19 C 2.598 0.0 0.0 0
M  V30 20 C 1.732 -0.5 0.0 0 CFG=2
M  V30 21 O 1.732 -1.5 0.0 0
M  V30 22 C 0.866 0.0 0.0 0
M  V30 23 C 0.866 1.0 0.0 0
M  V30 24 C 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 20 19
M  V30 20 1 20 21 CFG=3
M  V30 21 1 20 22
M  V30 22 1 22 23
M  V30 23 1 22 24
M  V30 24 2 5 7
M  V30 25 1 11 12
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 20)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000265875367

>  <name>
NA

>  <smiles>
CC(C)C(O)CNC(=O)C(=O)Nc1ccc2n(C)c(=O)n(C)c2c1

$$$$
ZINC000762195648
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.2942 3.75 0.0 0
M  V30 2 C 7.7942 3.75 0.0 0
M  V30 3 F 7.7942 5.25 0.0 0
M  V30 4 F 9.2942 3.75 0.0 0
M  V30 5 C 7.7942 2.25 0.0 0
M  V30 6 C 6.4952 1.5 0.0 0
M  V30 7 C 9.0932 1.5 0.0 0
M  V30 8 C 6.4952 0.0 0.0 0
M  V30 9 C 9.0932 0.0 0.0 0
M  V30 10 C 7.7942 -0.75 0.0 0
M  V30 11 C 5.1961 -0.75 0.0 0
M  V30 12 O 4.4461 -2.049 0.0 0
M  V30 13 C 3.8971 0.0 0.0 0
M  V30 14 C 5.9461 -2.049 0.0 0
M  V30 15 O 3.8971 1.5 0.0 0
M  V30 16 N 2.598 -0.75 0.0 0
M  V30 17 C 1.299 0.0 0.0 0
M  V30 18 C 1.299 1.5 0.0 0
M  V30 19 C 0.0 -0.75 0.0 0
M  V30 20 N 2.5125 2.3816 0.0 0
M  V30 21 C 0.0855 2.3816 0.0 0
M  V30 22 C 2.049 3.8082 0.0 0
M  V30 23 C 0.549 3.8082 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 13 15
M  V30 15 1 13 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 18 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 9 10
M  V30 24 2 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000762195648

>  <name>
NA

>  <smiles>
CC(NC(=O)C(C)(O)c1cccc(c1)C(F)(F)F)c1ccc[nH]1

$$$$
ZINC001158319873
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 10.3761 -2.9418 0.0 0
M  V30 2 C 8.9089 -3.2536 0.0 0
M  V30 3 N 7.7942 -2.2499 0.0 0
M  V30 4 C 8.2988 -4.624 0.0 0
M  V30 5 C 6.4951 -2.9999 0.0 0
M  V30 6 C 7.7942 -0.7499 0.0 0
M  V30 7 C 6.807 -4.4672 0.0 0
M  V30 8 C 8.9089 -5.9943 0.0 0
M  V30 9 C 5.1961 -2.25 0.0 0
M  V30 10 C 6.4951 0.0 0.0 0
M  V30 11 C 5.9253 -5.6807 0.0 0
M  V30 12 C 8.0272 -7.2078 0.0 0
M  V30 13 N 5.1961 -0.75 0.0 0
M  V30 14 C 6.5354 -7.051 0.0 0
M  V30 15 C 3.8971 0.0 0.0 0
M  V30 16 O 3.8971 1.5 0.0 0
M  V30 17 C 2.598 -0.75 0.0 0
M  V30 18 N 2.598 -2.25 0.0 0
M  V30 19 C 1.299 0.0 0.0 0
M  V30 20 C 0.0 -0.75 0.0 0
M  V30 21 N -1.3703 -0.1398 0.0 0
M  V30 22 C -0.1567 -2.2417 0.0 0
M  V30 23 C -2.374 -1.2546 0.0 0
M  V30 24 N -1.624 -2.5536 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 9 13
M  V30 13 2 11 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 2 20 22
M  V30 22 2 21 23
M  V30 23 1 22 24
M  V30 24 1 5 7
M  V30 25 1 10 13
M  V30 26 1 12 14
M  V30 27 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001158319873

>  <name>
NA

>  <smiles>
NC(Cc1c[nH]cn1)C(=O)N1CCN2C(C1)c1ccccc1C2=O

$$$$
ZINC000513952080
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 3.3546 -2.6785 0.0 0
M  V30 2 C 2.516 -2.1339 0.0 0
M  V30 3 C 2.5683 -1.1352 0.0 0
M  V30 4 C 1.625 -2.5879 0.0 0
M  V30 5 C 1.7296 -0.5906 0.0 0
M  V30 6 C 0.7863 -2.0432 0.0 0
M  V30 7 C 0.8386 -1.0446 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.9135 -0.0932 0.0 0
M  V30 11 C -0.1045 -1.4945 0.0 0
M  V30 12 C 0.866 0.9999 0.0 0
M  V30 13 C -1.5826 -0.8364 0.0 0
M  V30 14 C -1.0826 -1.7024 0.0 0
M  V30 15 O 1.732 1.4999 0.0 0
M  V30 16 C 0.0 1.5 0.0 0 CFG=2
M  V30 17 C -0.866 1.0 0.0 0
M  V30 18 C 0.0 2.5 0.0 0
M  V30 19 C -1.732 1.4999 0.0 0
M  V30 20 C -0.866 2.9999 0.0 0
M  V30 21 O -2.598 1.0 0.0 0
M  V30 22 N -1.732 2.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 16 12 CFG=3
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 6 7
M  V30 23 1 13 14
M  V30 24 1 20 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 16)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000513952080

>  <name>
NA

>  <smiles>
Brc1ccc(cc1)C1(CCCC1)NC(=O)C1CCNC(=O)C1

$$$$
ZINC001054623555
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.5307 1.384 0.0 0
M  V30 2 C 6.6646 1.884 0.0 0
M  V30 3 N 6.5601 2.8786 0.0 0
M  V30 4 C 5.7511 1.4773 0.0 0
M  V30 5 O 5.582 3.0865 0.0 0
M  V30 6 C 7.3033 3.5477 0.0 0
M  V30 7 C 5.082 2.2205 0.0 0
M  V30 8 C 4.0874 2.1159 0.0 0
M  V30 9 O 3.4997 2.9249 0.0 0
M  V30 10 N 3.6807 1.2024 0.0 0
M  V30 11 C 2.7026 0.9945 0.0 0
M  V30 12 C 4.1807 0.3364 0.0 0
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 C 3.5116 -0.4067 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 3.7195 -1.3848 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 C -0.866 0.0 0.0 0
M  V30 20 C 0.0 -1.4999 0.0 0
M  V30 21 C -1.732 -0.4999 0.0 0
M  V30 22 C -0.866 -1.9999 0.0 0
M  V30 23 C -1.732 -1.4999 0.0 0
M  V30 24 C -2.598 -1.9999 0.0 0
M  V30 25 O -2.598 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 2 21 23
M  V30 23 1 23 24
M  V30 24 1 24 25
M  V30 25 1 5 7
M  V30 26 1 13 14
M  V30 27 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001054623555

>  <name>
NA

>  <smiles>
CC1CN(CC1NCc1ccc(CO)cc1)C(=O)c1cc(=O)n(C)o1

$$$$
ZINC001637006936
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.75 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 C 5.1961 2.25 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 5.1961 3.75 0.0 0
M  V30 9 C 2.598 -0.75 0.0 0 CFG=2
M  V30 10 C 2.598 2.25 0.0 0
M  V30 11 C 3.8971 4.5 0.0 0
M  V30 12 O 2.598 -2.25 0.0 0
M  V30 13 N 1.299 0.0 0.0 0
M  V30 14 C 2.598 3.7499 0.0 0
M  V30 15 C 0.0 -0.75 0.0 0
M  V30 16 C -1.299 0.0 0.0 0
M  V30 17 C 0.0 -2.2499 0.0 0
M  V30 18 O -1.299 1.5 0.0 0
M  V30 19 C -2.598 -0.7499 0.0 0
M  V30 20 C -1.299 -2.9999 0.0 0
M  V30 21 C -2.598 -2.2499 0.0 0
M  V30 22 O -3.8971 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 9 6
M  V30 9 1 7 10
M  V30 10 2 8 11
M  V30 11 1 9 12 CFG=3
M  V30 12 1 9 13
M  V30 13 2 10 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 2 19 21
M  V30 21 1 21 22
M  V30 22 1 6 7
M  V30 23 1 11 14
M  V30 24 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001637006936

>  <name>
NA

>  <smiles>
OC(Nc1ccc(O)cc1O)c1cc(=O)[nH]c2ccccc12

$$$$
ZINC000803123002
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.4641 2.5 0.0 0
M  V30 2 C 3.4641 2.5 0.0 0
M  V30 3 F 3.4641 3.5 0.0 0
M  V30 4 F 4.4641 2.5 0.0 0
M  V30 5 C 3.4641 1.5 0.0 0
M  V30 6 C 2.598 1.0 0.0 0
M  V30 7 C 4.3301 1.0 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 C 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.4999 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0
M  V30 12 O 1.732 -1.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 O 0.866 1.0 0.0 0
M  V30 15 N 0.0 -0.5 0.0 0
M  V30 16 C -0.866 0.0 0.0 0
M  V30 17 C 0.0 -1.4999 0.0 0
M  V30 18 C -1.732 -0.4999 0.0 0
M  V30 19 C -0.866 -1.9999 0.0 0
M  V30 20 C -1.732 -1.4999 0.0 0
M  V30 21 C -2.598 0.0 0.0 0
M  V30 22 O -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 2 20 22
M  V30 22 1 9 10
M  V30 23 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000803123002

>  <name>
NA

>  <smiles>
CC1CN(CCC1=O)C(=O)C(O)c1cccc(c1)C(F)(F)F

$$$$
ZINC000348052717
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 16.7986 -1.5 0.0 0
M  V30 2 C 15.2986 -1.5 0.0 0
M  V30 3 N 14.4169 -0.2864 0.0 0
M  V30 4 N 14.4169 -2.7135 0.0 0
M  V30 5 C 12.9904 -0.75 0.0 0
M  V30 6 C 14.8805 1.1401 0.0 0
M  V30 7 C 12.9904 -2.25 0.0 0
M  V30 8 C 14.8805 -4.1401 0.0 0
M  V30 9 C 11.6913 0.0 0.0 0
M  V30 10 C 11.6913 -3.0 0.0 0
M  V30 11 C 10.3923 -0.75 0.0 0
M  V30 12 C 10.3923 -2.25 0.0 0
M  V30 13 N 9.0932 0.0 0.0 0
M  V30 14 C 7.7942 -0.75 0.0 0
M  V30 15 O 7.7942 -2.25 0.0 0
M  V30 16 C 6.4952 0.0 0.0 0
M  V30 17 O 6.4952 1.5 0.0 0
M  V30 18 N 5.1961 -0.75 0.0 0
M  V30 19 C 3.8971 0.0 0.0 0
M  V30 20 C 2.598 -0.75 0.0 0 CFG=2
M  V30 21 O 1.848 -2.049 0.0 0
M  V30 22 C 1.299 0.0 0.0 0
M  V30 23 C 3.348 -2.049 0.0 0
M  V30 24 C 1.299 1.5 0.0 0
M  V30 25 C 0.0 -0.75 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 20 19
M  V30 20 1 20 21 CFG=3
M  V30 21 1 20 22
M  V30 22 1 20 23
M  V30 23 1 22 24
M  V30 24 1 22 25
M  V30 25 2 5 7
M  V30 26 1 11 12
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 20)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000348052717

>  <name>
NA

>  <smiles>
CC(C)C(C)(O)CNC(=O)C(=O)Nc1ccc2n(C)c(=O)n(C)c2c1

$$$$
ZINC001163079302
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -3.0 0.0 0
M  V30 2 C 7.7942 -2.0 0.0 0
M  V30 3 N 8.6602 -1.5 0.0 0
M  V30 4 C 6.9282 -1.4999 0.0 0
M  V30 5 C 8.6602 -0.5 0.0 0
M  V30 6 C 6.9282 -0.5 0.0 0
M  V30 7 C 7.7942 0.0 0.0 0
M  V30 8 C 9.5262 0.0 0.0 0
M  V30 9 C 6.0621 0.0 0.0 0
M  V30 10 C 9.5262 0.9999 0.0 0
M  V30 11 O 6.0621 0.9999 0.0 0
M  V30 12 N 5.1961 -0.5 0.0 0
M  V30 13 C 4.3301 0.0 0.0 0
M  V30 14 C 3.4641 -0.5 0.0 0
M  V30 15 C 2.598 0.0 0.0 0
M  V30 16 N 1.732 -0.5 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 C -0.866 0.0 0.0 0
M  V30 20 C 0.0 -1.4999 0.0 0
M  V30 21 C -1.732 -0.4999 0.0 0
M  V30 22 C -0.866 -1.9999 0.0 0
M  V30 23 C -1.732 -1.4999 0.0 0
M  V30 24 C -2.598 0.0 0.0 0
M  V30 25 C -3.4641 -0.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 2 21 23
M  V30 23 1 21 24
M  V30 24 1 24 25
M  V30 25 1 6 7
M  V30 26 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001163079302

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NCCCNCc1cccc(CC)c1

$$$$
ZINC000363892025
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 3.9999 0.0 0
M  V30 2 C 2.598 2.9999 0.0 0
M  V30 3 N 3.4641 2.4999 0.0 0
M  V30 4 C 1.732 2.4999 0.0 0
M  V30 5 C 3.4641 1.4999 0.0 0
M  V30 6 C 1.732 1.4999 0.0 0 CFG=2
M  V30 7 C 2.598 0.9999 0.0 0
M  V30 8 C 0.866 0.9999 0.0 0
M  V30 9 O 0.0 1.5 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C 0.8841 -0.9672 0.0 0
M  V30 13 C -0.8262 0.0633 0.0 0
M  V30 14 C 0.0747 -1.4972 0.0 0
M  V30 15 C 0.9215 -1.9665 0.0 0
M  V30 16 C 1.7308 -0.4352 0.0 0
M  V30 17 C -1.7818 -0.2314 0.0 0
M  V30 18 C -0.6583 -2.1773 0.0 0
M  V30 19 C 1.8056 -2.4338 0.0 0
M  V30 20 C 2.6149 -0.9025 0.0 0
M  V30 21 C -2.1471 -1.1623 0.0 0
M  V30 22 C -1.6471 -2.0283 0.0 0
M  V30 23 C 2.6523 -1.9018 0.0 0
M  V30 24 O 3.5364 -2.369 0.0 0
M  V30 25 C 4.3831 -1.837 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 1 5 7
M  V30 7 1 6 8 CFG=3
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 13 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 2 16 20
M  V30 20 1 17 21
M  V30 21 1 18 22
M  V30 22 2 19 23
M  V30 23 1 23 24
M  V30 24 1 24 25
M  V30 25 1 6 7
M  V30 26 1 20 23
M  V30 27 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000363892025

>  <name>
NA

>  <smiles>
COc1ccc(cc1)C1(CCCCCC1)NC(=O)C1CCNC(=O)C1

$$$$
ZINC000363970294
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.9535 -2.6159 0.0 0
M  V30 2 C 4.5467 -1.7024 0.0 0
M  V30 3 O 5.0467 -0.8364 0.0 0
M  V30 4 C 3.5686 -1.4945 0.0 0
M  V30 5 C 4.3776 -0.0932 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0
M  V30 7 C 2.598 0.0 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 O 1.732 -1.5 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 N -0.9135 -0.0932 0.0 0
M  V30 13 C -0.1045 -1.4945 0.0 0
M  V30 14 N -1.5826 -0.8364 0.0 0
M  V30 15 C -1.1214 0.8848 0.0 0
M  V30 16 C -1.0826 -1.7024 0.0 0
M  V30 17 C -0.3783 1.554 0.0 0
M  V30 18 C -2.0725 1.1939 0.0 0
M  V30 19 C -1.4894 -2.6159 0.0 0
M  V30 20 C -0.5862 2.5321 0.0 0
M  V30 21 C -2.2804 2.172 0.0 0
M  V30 22 C -2.2984 -3.2037 0.0 0
M  V30 23 C -1.3848 -3.6105 0.0 0
M  V30 24 C -1.5372 2.8411 0.0 0
M  V30 25 C -3.2929 -3.3082 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 2 10 11 CFG=2
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 19 23
M  V30 23 2 20 24
M  V30 24 1 22 25
M  V30 25 1 5 6
M  V30 26 1 14 16
M  V30 27 1 21 24
M  V30 28 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000363970294

>  <name>
NA

>  <smiles>
CC1CC1c1cc(=NC(=O)CC2COC(=O)C2)n([nH]1)-c1ccccc1

$$$$
ZINC000855918614
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.4641 2.5 0.0 0
M  V30 2 C 3.4641 2.5 0.0 0
M  V30 3 F 3.4641 3.5 0.0 0
M  V30 4 F 4.4641 2.5 0.0 0
M  V30 5 C 3.4641 1.5 0.0 0
M  V30 6 C 2.598 1.0 0.0 0
M  V30 7 C 4.3301 1.0 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 C 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.4999 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0 CFG=1
M  V30 12 O 1.732 -1.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 O 0.866 1.0 0.0 0
M  V30 15 N 0.0 -0.5 0.0 0
M  V30 16 C -0.8262 0.0633 0.0 0
M  V30 17 C 0.0747 -1.4972 0.0 0
M  V30 18 C -1.7818 -0.2314 0.0 0
M  V30 19 C -0.6583 -2.1773 0.0 0
M  V30 20 N -2.1471 -1.1623 0.0 0
M  V30 21 C -1.6471 -2.0283 0.0 0
M  V30 22 C -3.1443 -1.237 0.0 0
M  V30 23 O -2.2104 -2.8545 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 11 8
M  V30 11 1 11 12 CFG=1
M  V30 12 1 11 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 9 10
M  V30 24 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000855918614

>  <name>
NA

>  <smiles>
CN1CCN(CCC1=O)C(=O)C(O)c1cccc(c1)C(F)(F)F

$$$$
ZINC001459940633
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.307 0.3939 0.0 0
M  V30 2 C 6.4638 -1.0978 0.0 0
M  V30 3 F 7.9556 -0.941 0.0 0
M  V30 4 F 6.6206 -2.5896 0.0 0
M  V30 5 C 4.972 -1.2546 0.0 0 CFG=1
M  V30 6 O 5.789 -2.5126 0.0 0
M  V30 7 C 3.9683 -0.1398 0.0 0
M  V30 8 C 4.222 -2.5536 0.0 0
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 2.7548 -2.2417 0.0 0
M  V30 11 C 1.299 0.0 0.0 0
M  V30 12 C 0.0 -0.75 0.0 0
M  V30 13 N -1.299 0.0 0.0 0
M  V30 14 C 0.0 -2.2499 0.0 0
M  V30 15 C -2.598 -0.7499 0.0 0
M  V30 16 C -1.299 -2.9999 0.0 0
M  V30 17 N -4.0246 -0.2864 0.0 0
M  V30 18 N -2.598 -2.2499 0.0 0
M  V30 19 O -1.299 -4.4999 0.0 0
M  V30 20 C -4.9063 -1.4999 0.0 0
M  V30 21 N -4.0246 -2.7135 0.0 0
M  V30 22 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 2
M  V30 5 1 5 6 CFG=1
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 2 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 2 20 22
M  V30 22 1 9 10
M  V30 23 1 16 18
M  V30 24 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001459940633

>  <name>
NA

>  <smiles>
OC1(CCN(Cc2cc(=O)n3[nH]c(=N)nc3[nH]2)C1)C(F)(F)F

$$$$
ZINC001236058275
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.8301 -1.1339 0.0 0
M  V30 2 C 4.3301 -1.9999 0.0 0
M  V30 3 F 5.1961 -2.5 0.0 0
M  V30 4 F 3.8301 -2.866 0.0 0
M  V30 5 C 3.4641 -1.4999 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0
M  V30 7 C 2.598 -1.9999 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 C 1.732 -1.5 0.0 0
M  V30 10 C 2.598 1.0 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0
M  V30 12 N 3.4641 1.5 0.0 0
M  V30 13 C 1.732 1.4999 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 3.4641 2.5 0.0 0
M  V30 16 C 1.732 2.5 0.0 0
M  V30 17 O 0.0 -0.5 0.0 0
M  V30 18 C 2.598 3.0 0.0 0
M  V30 19 N 0.866 3.0 0.0 0
M  V30 20 C 0.866 4.0 0.0 0
M  V30 21 C 0.0 2.5 0.0 0
M  V30 22 C 0.0 4.5 0.0 0
M  V30 23 C -0.866 3.0 0.0 0
M  V30 24 N -0.866 4.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 1 8 10
M  V30 10 2 8 11
M  V30 11 2 10 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 16 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 9 11
M  V30 25 1 16 18
M  V30 26 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001236058275

>  <name>
NA

>  <smiles>
OCc1ccc(cc1-c1cc(ccn1)N1CCNCC1)C(F)(F)F

$$$$
ZINC001363794934
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -3.0 0.0 0
M  V30 2 C 2.598 -1.9999 0.0 0
M  V30 3 N 3.4641 -1.4999 0.0 0
M  V30 4 C 1.732 -1.4999 0.0 0
M  V30 5 N 4.4151 -1.809 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 C 5.0029 -0.9999 0.0 0
M  V30 9 N 4.4151 -0.1909 0.0 0
M  V30 10 N 2.598 0.0 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 N 6.0029 -0.9999 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 C -1.5826 -0.8364 0.0 0 CFG=2
M  V30 17 C -1.0826 -1.7024 0.0 0
M  V30 18 O -1.941 0.0971 0.0 0
M  V30 19 C -2.5771 -0.7318 0.0 0
M  V30 20 C -3.3862 -0.144 0.0 0
M  V30 21 C -3.4907 -1.1386 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 16 14
M  V30 16 1 15 17
M  V30 17 1 16 18 CFG=3
M  V30 18 1 16 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 1 7 10
M  V30 22 1 8 9
M  V30 23 1 16 17
M  V30 24 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 16)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001363794934

>  <name>
NA

>  <smiles>
OC1(CCN(Cc2cc(=O)n3[nH]c(=N)nc3[nH]2)C1)C1CC1

$$$$
ZINC000633147931
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.8689 0.5 0.0 0
M  V30 2 C 5.8689 0.5 0.0 0
M  V30 3 N 5.2811 1.309 0.0 0
M  V30 4 N 5.2811 -0.309 0.0 0
M  V30 5 C 4.3301 1.0 0.0 0
M  V30 6 C 5.5902 2.26 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 5.5902 -1.26 0.0 0
M  V30 9 C 3.4641 1.4999 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.9999 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 O 1.732 1.4999 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -1.0 -0.4999 0.0 0
M  V30 19 C -0.5 -1.366 0.0 0
M  V30 20 C -1.866 0.0 0.0 0
M  V30 21 C -1.866 1.0 0.0 0
M  V30 22 C -2.732 -0.4999 0.0 0
M  V30 23 C -2.732 1.5 0.0 0
M  V30 24 C -3.598 0.0 0.0 0
M  V30 25 O -3.598 1.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 23 25
M  V30 25 2 5 7
M  V30 26 1 11 12
M  V30 27 1 18 19
M  V30 28 1 24 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000633147931

>  <name>
NA

>  <smiles>
Cn1c2cc(O)c(NC(=O)C3CC3C3CCOCC3)cc2n(C)c1=O

$$$$
ZINC000760250660
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.4641 -1.5 0.0 0
M  V30 2 C 3.4641 -0.5 0.0 0
M  V30 3 N 4.3301 0.0 0.0 0
M  V30 4 C 2.598 0.0 0.0 0
M  V30 5 C 5.1961 -0.5 0.0 0
M  V30 6 N 1.732 -0.5 0.0 0
M  V30 7 C 2.598 1.0 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 C 0.866 0.0 0.0 0
M  V30 10 C 3.4641 1.5 0.0 0
M  V30 11 C 1.732 1.4999 0.0 0
M  V30 12 C 6.9282 -0.5 0.0 0
M  V30 13 C 6.0621 0.9999 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0
M  V30 15 C 0.866 0.9999 0.0 0
M  V30 16 C 3.4641 2.5 0.0 0
M  V30 17 C 1.732 2.5 0.0 0
M  V30 18 C 7.7942 0.0 0.0 0
M  V30 19 C 6.9282 1.4999 0.0 0
M  V30 20 N -0.1045 -1.4945 0.0 0
M  V30 21 C -0.9135 -0.0932 0.0 0
M  V30 22 C 2.598 3.0 0.0 0
M  V30 23 C 7.7942 0.9999 0.0 0
M  V30 24 C -1.0826 -1.7024 0.0 0
M  V30 25 C -1.5826 -0.8364 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 2 7 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 8 13
M  V30 13 1 9 14
M  V30 14 1 9 15
M  V30 15 1 10 16
M  V30 16 2 11 17
M  V30 17 1 12 18
M  V30 18 2 13 19
M  V30 19 1 14 20
M  V30 20 2 14 21
M  V30 21 2 16 22
M  V30 22 2 18 23
M  V30 23 1 20 24
M  V30 24 1 21 25
M  V30 25 1 17 22
M  V30 26 1 19 23
M  V30 27 2 24 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000760250660

>  <name>
NA

>  <smiles>
CC(NC(C(=O)NCc1ccccc1)c1ccccc1)c1ccc[nH]1

$$$$
ZINC000680425783
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 -0.5 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 N 4.3301 1.0 0.0 0
M  V30 4 C 3.4641 -0.4999 0.0 0
M  V30 5 C 3.4641 1.5 0.0 0
M  V30 6 C 2.598 0.0 0.0 0
M  V30 7 C 2.598 1.0 0.0 0
M  V30 8 C 3.4641 2.5 0.0 0
M  V30 9 C 1.732 -0.5 0.0 0
M  V30 10 O 1.732 -1.5 0.0 0
M  V30 11 N 0.866 0.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C -0.1305 0.4914 0.0 0
M  V30 14 C -0.2588 -1.4659 0.0 0
M  V30 15 C -0.9659 -0.2411 0.0 0
M  V30 16 C -1.0544 0.8741 0.0 0
M  V30 17 C 0.6628 1.1002 0.0 0
M  V30 18 C -1.2247 -1.2071 0.0 0
M  V30 19 C -1.1849 1.8655 0.0 0
M  V30 20 C 0.5323 2.0916 0.0 0
M  V30 21 C -0.3915 2.4743 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 14 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 2 19 21
M  V30 21 1 6 7
M  V30 22 1 15 18
M  V30 23 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000680425783

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)NC1(CCC1)c1ccccc1

$$$$
ZINC000152403867
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 1.5726 -3.5865 0.0 0
M  V30 2 C 1.625 -2.5879 0.0 0
M  V30 3 C 0.7863 -2.0432 0.0 0
M  V30 4 C 2.516 -2.1339 0.0 0
M  V30 5 C 0.8386 -1.0446 0.0 0
M  V30 6 C 2.5683 -1.1352 0.0 0
M  V30 7 C 1.7296 -0.5906 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.9135 -0.0932 0.0 0
M  V30 11 C -0.1045 -1.4945 0.0 0
M  V30 12 C 0.866 0.9999 0.0 0
M  V30 13 C -1.5826 -0.8364 0.0 0
M  V30 14 C -1.0826 -1.7024 0.0 0
M  V30 15 O 1.732 1.4999 0.0 0
M  V30 16 C 0.0 1.5 0.0 0 CFG=2
M  V30 17 C 0.0 2.5 0.0 0
M  V30 18 C -0.866 1.0 0.0 0
M  V30 19 C -0.866 3.0 0.0 0
M  V30 20 C -1.732 1.5 0.0 0
M  V30 21 O -0.866 4.0 0.0 0
M  V30 22 N -1.732 2.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 16 12 CFG=1
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 6 7
M  V30 23 1 13 14
M  V30 24 1 20 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 16)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000152403867

>  <name>
NA

>  <smiles>
Clc1cccc(c1)C1(CCCC1)NC(=O)C1CCNC(=O)C1

$$$$
ZINC001364693428
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 -0.5 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 N 6.0621 0.9999 0.0 0
M  V30 4 C 5.1961 -0.4999 0.0 0
M  V30 5 N 6.8053 1.6691 0.0 0
M  V30 6 C 5.1961 1.4999 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 6.3985 2.5826 0.0 0
M  V30 9 N 5.404 2.4781 0.0 0
M  V30 10 N 4.3301 1.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 6.8985 3.4487 0.0 0
M  V30 13 N 2.598 0.0 0.0 0
M  V30 14 C 1.732 -0.5 0.0 0 CFG=2
M  V30 15 C 1.732 -1.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 0.866 -1.9999 0.0 0
M  V30 18 C 2.598 -2.0 0.0 0
M  V30 19 O 0.0 -0.5 0.0 0
M  V30 20 C 0.866 -2.9999 0.0 0
M  V30 21 C 2.598 -3.0 0.0 0
M  V30 22 O 1.732 -3.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13 CFG=3
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 20 22
M  V30 22 1 7 10
M  V30 23 1 8 9
M  V30 24 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001364693428

>  <name>
NA

>  <smiles>
OCC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)C1CCOCC1

$$$$
ZINC000541719916
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F -0.1046 -2.4972 0.0 0
M  V30 2 C 0.7863 -2.0432 0.0 0
M  V30 3 C 0.8386 -1.0446 0.0 0
M  V30 4 C 1.625 -2.5879 0.0 0
M  V30 5 C 1.7296 -0.5906 0.0 0
M  V30 6 C 0.0 -0.5 0.0 0
M  V30 7 C 2.516 -2.1339 0.0 0
M  V30 8 C 2.5683 -1.1352 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.9135 -0.0932 0.0 0
M  V30 11 C -0.1045 -1.4945 0.0 0
M  V30 12 F 3.3546 -2.6785 0.0 0
M  V30 13 C 0.866 0.9999 0.0 0
M  V30 14 C -1.5826 -0.8364 0.0 0
M  V30 15 C -1.0826 -1.7024 0.0 0
M  V30 16 O 1.732 1.4999 0.0 0
M  V30 17 C 0.0 1.5 0.0 0
M  V30 18 C 0.0 2.5 0.0 0
M  V30 19 C -0.866 1.0 0.0 0
M  V30 20 C -0.866 3.0 0.0 0
M  V30 21 C -1.732 1.5 0.0 0
M  V30 22 O -0.866 4.0 0.0 0
M  V30 23 N -1.732 2.5 0.0 0
M  V30 24 C -2.598 1.0 0.0 0
M  V30 25 C -2.598 0.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 6 11
M  V30 11 1 7 12
M  V30 12 1 9 13
M  V30 13 1 10 14
M  V30 14 1 11 15
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 21 24
M  V30 24 1 24 25
M  V30 25 1 7 8
M  V30 26 1 14 15
M  V30 27 1 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000541719916

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1ccc(F)cc1F

$$$$
ZINC000345816000
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 5.1961 1.4999 0.0 0
M  V30 2 C 6.0621 1.0 0.0 0
M  V30 3 C 6.0621 0.0 0.0 0
M  V30 4 C 6.9282 1.5 0.0 0
M  V30 5 N 5.1961 -0.5 0.0 0
M  V30 6 C 6.9282 -0.4999 0.0 0
M  V30 7 C 7.7942 1.0 0.0 0
M  V30 8 N 4.3301 0.0 0.0 0
M  V30 9 C 5.1961 -1.4999 0.0 0
M  V30 10 C 7.7942 0.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 O 6.0621 -1.9999 0.0 0
M  V30 13 C 4.3301 -1.9999 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 C 3.4641 -1.4999 0.0 0
M  V30 16 O 2.598 1.0 0.0 0
M  V30 17 N 1.732 -0.5 0.0 0
M  V30 18 C 0.866 0.0 0.0 0
M  V30 19 C 1.732 -1.5 0.0 0
M  V30 20 C 0.0 -0.5 0.0 0
M  V30 21 N -0.9135 -0.0932 0.0 0
M  V30 22 C -0.1045 -1.4945 0.0 0
M  V30 23 C -1.5826 -0.8364 0.0 0
M  V30 24 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 2 6 10
M  V30 10 2 8 11
M  V30 11 2 9 12
M  V30 12 1 9 13
M  V30 13 1 11 14
M  V30 14 1 11 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 2 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 7 10
M  V30 25 2 13 15
M  V30 26 2 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000345816000

>  <name>
NA

>  <smiles>
CN(Cc1ccc[nH]1)C(=O)c1ccc(=O)n(n1)-c1ccccc1F

$$$$
ZINC001378348146
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.5385 -7.6947 0.0 0
M  V30 2 C 3.617 -6.1967 0.0 0
M  V30 3 N 4.9535 -5.5157 0.0 0
M  V30 4 C 2.359 -5.3798 0.0 0
M  V30 5 C 5.032 -4.0178 0.0 0
M  V30 6 C 2.4375 -3.8818 0.0 0 CFG=2
M  V30 7 C 3.774 -3.2008 0.0 0
M  V30 8 C 1.1795 -3.0649 0.0 0
M  V30 9 O -0.157 -3.7458 0.0 0
M  V30 10 N 1.258 -1.5669 0.0 0
M  V30 11 C 0.0 -0.75 0.0 0
M  V30 12 C -1.3703 -0.1398 0.0 0
M  V30 13 C -0.1567 -2.2417 0.0 0
M  V30 14 C 1.299 0.0 0.0 0
M  V30 15 C -2.374 -1.2546 0.0 0
M  V30 16 C -1.624 -2.5536 0.0 0
M  V30 17 N 2.598 -0.75 0.0 0
M  V30 18 C 3.8971 0.0 0.0 0
M  V30 19 C 5.1961 -0.75 0.0 0
M  V30 20 C 5.1961 -2.25 0.0 0
M  V30 21 C 6.4951 0.0 0.0 0
M  V30 22 N 6.4951 -3.0 0.0 0
M  V30 23 C 7.7942 -0.75 0.0 0
M  V30 24 C 7.7942 -2.25 0.0 0
M  V30 25 C 9.0932 0.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 1 5 7
M  V30 7 1 6 8 CFG=1
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 2 22 24
M  V30 24 1 23 25
M  V30 25 1 6 7
M  V30 26 1 15 16
M  V30 27 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001378348146

>  <name>
NA

>  <smiles>
Cc1cncc(CNCC2(CCCC2)NC(=O)C2CCNC(=O)C2)c1

$$$$
ZINC000337959876
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 9.0932 -3.0 0.0 0
M  V30 2 C 7.7942 -2.2499 0.0 0
M  V30 3 N 7.7942 -0.75 0.0 0
M  V30 4 C 6.4951 -2.9999 0.0 0
M  V30 5 C 6.4951 0.0 0.0 0
M  V30 6 C 5.1961 -2.25 0.0 0
M  V30 7 C 5.1961 -0.75 0.0 0 CFG=2
M  V30 8 N 3.8971 0.0 0.0 0
M  V30 9 C 2.598 -0.75 0.0 0
M  V30 10 O 2.598 -2.25 0.0 0
M  V30 11 N 1.299 0.0 0.0 0
M  V30 12 C 0.0 -0.75 0.0 0
M  V30 13 N -1.3703 -0.1398 0.0 0
M  V30 14 C -0.1567 -2.2417 0.0 0
M  V30 15 N -2.374 -1.2546 0.0 0
M  V30 16 C -1.6821 1.3273 0.0 0
M  V30 17 C -1.624 -2.5536 0.0 0
M  V30 18 C -0.5674 2.331 0.0 0
M  V30 19 C -3.1087 1.7908 0.0 0
M  V30 20 C -2.2341 -3.9239 0.0 0
M  V30 21 C -0.8793 3.7982 0.0 0
M  V30 22 C -3.4206 3.258 0.0 0
M  V30 23 C -3.4476 -4.8056 0.0 0
M  V30 24 C -2.0773 -5.4157 0.0 0
M  V30 25 C -2.3059 4.2617 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 7 5
M  V30 7 1 7 8 CFG=3
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 2 11 12 CFG=2
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 1 20 23
M  V30 23 1 20 24
M  V30 24 2 21 25
M  V30 25 1 6 7
M  V30 26 1 15 17
M  V30 27 1 22 25
M  V30 28 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 7)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000337959876

>  <name>
NA

>  <smiles>
O=C(NC1CCC(=O)NC1)N=c1cc([nH]n1-c1ccccc1)C1CC1

$$$$
ZINC000918664469
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 1.3256 2.7004 0.0 0
M  V30 2 C 0.5323 2.0916 0.0 0
M  V30 3 C 0.6628 1.1002 0.0 0
M  V30 4 C -0.3915 2.4743 0.0 0
M  V30 5 C -0.1305 0.4914 0.0 0
M  V30 6 C -1.1849 1.8655 0.0 0
M  V30 7 C -1.0544 0.8741 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.2588 -1.4659 0.0 0
M  V30 11 C -0.9659 -0.2411 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 C -1.2247 -1.2071 0.0 0
M  V30 14 O 1.732 -1.5 0.0 0
M  V30 15 C 2.598 0.0 0.0 0
M  V30 16 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 17 O 3.5686 -1.4945 0.0 0
M  V30 18 C 4.3776 -0.0932 0.0 0
M  V30 19 C 4.5467 -1.7024 0.0 0
M  V30 20 C 5.0467 -0.8364 0.0 0
M  V30 21 C 4.6866 0.8577 0.0 0
M  V30 22 O 4.9535 -2.6159 0.0 0
M  V30 23 C 6.0249 -0.6284 0.0 0
M  V30 24 C 5.6648 1.0657 0.0 0
M  V30 25 C 6.3339 0.3225 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 16 15 CFG=1
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 1 20 23
M  V30 23 2 21 24
M  V30 24 2 23 25
M  V30 25 1 6 7
M  V30 26 1 11 13
M  V30 27 1 19 20
M  V30 28 1 24 25
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 16)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000918664469

>  <name>
NA

>  <smiles>
Brc1cccc(c1)C1(CCC1)NC(=O)CC1OC(=O)c2ccccc12

$$$$
ZINC001308174148
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -3.0 0.0 0
M  V30 2 C 2.598 -1.9999 0.0 0
M  V30 3 N 3.4641 -1.4999 0.0 0
M  V30 4 C 1.732 -1.4999 0.0 0
M  V30 5 N 4.4151 -1.809 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 C 5.0029 -0.9999 0.0 0
M  V30 9 N 4.4151 -0.1909 0.0 0
M  V30 10 N 2.598 0.0 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 N 6.0029 -0.9999 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C -0.866 0.0 0.0 0
M  V30 15 C 0.0 -1.4999 0.0 0
M  V30 16 C -1.732 -0.4999 0.0 0
M  V30 17 C -0.866 -1.9999 0.0 0
M  V30 18 C -1.732 -1.4999 0.0 0
M  V30 19 C -2.598 0.0 0.0 0
M  V30 20 C -2.598 -1.9999 0.0 0
M  V30 21 C -3.4641 -0.4999 0.0 0
M  V30 22 C -3.4641 -1.4999 0.0 0
M  V30 23 C -4.3301 -1.9999 0.0 0
M  V30 24 C -5.1961 -1.4999 0.0 0
M  V30 25 C -4.3301 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 22 23
M  V30 23 1 23 24
M  V30 24 1 23 25
M  V30 25 1 7 10
M  V30 26 1 8 9
M  V30 27 1 17 18
M  V30 28 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001308174148

>  <name>
NA

>  <smiles>
CC(C)c1ccc2CN(Cc3cc(=O)n4[nH]c(=N)nc4[nH]3)CCc2c1

$$$$
ZINC000265317652
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 0.8922 1.7696 0.0 0
M  V30 2 C -0.1957 0.7371 0.0 0
M  V30 3 C 0.2465 3.1235 0.0 0
M  V30 4 N -1.514 1.4529 0.0 0
M  V30 5 C 0.0 -0.75 0.0 0
M  V30 6 C -1.2406 2.9277 0.0 0
M  V30 7 N 1.299 0.0 0.0 0
M  V30 8 C -0.3882 -2.1988 0.0 0
M  V30 9 C -1.4488 -0.3617 0.0 0
M  V30 10 C -2.2731 4.0158 0.0 0
M  V30 11 C 2.598 -0.75 0.0 0
M  V30 12 C -1.8371 -1.8106 0.0 0
M  V30 13 O 2.598 -2.25 0.0 0
M  V30 14 C 3.8971 0.0 0.0 0
M  V30 15 C 5.1961 -0.75 0.0 0 CFG=2
M  V30 16 O 5.3529 -2.2417 0.0 0
M  V30 17 C 6.5664 -0.1398 0.0 0
M  V30 18 C 6.8201 -2.5536 0.0 0
M  V30 19 C 7.5701 -1.2546 0.0 0
M  V30 20 C 7.0299 1.2866 0.0 0
M  V30 21 O 7.4302 -3.9239 0.0 0
M  V30 22 C 9.0373 -0.9427 0.0 0
M  V30 23 C 8.4972 1.5985 0.0 0
M  V30 24 C 9.5009 0.4838 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 8 12
M  V30 12 2 11 13
M  V30 13 1 11 14
M  V30 14 1 15 14 CFG=1
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 2 22 24
M  V30 24 1 4 6
M  V30 25 1 9 12
M  V30 26 1 18 19
M  V30 27 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 15)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000265317652

>  <name>
NA

>  <smiles>
Cc1csc(n1)C1(CCC1)NC(=O)CC1OC(=O)c2ccccc12

$$$$
ZINC000832831149
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 3.5116 -0.4067 0.0 0
M  V30 2 C 4.1807 0.3364 0.0 0
M  V30 3 C 2.598 0.0 0.0 0
M  V30 4 N 5.1752 0.2318 0.0 0
M  V30 5 N 3.6807 1.2024 0.0 0
M  V30 6 C 2.7026 0.9945 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 O 1.9594 1.6636 0.0 0
M  V30 9 C 0.866 0.0 0.0 0
M  V30 10 O 0.866 1.0 0.0 0
M  V30 11 N 0.0 -0.5 0.0 0
M  V30 12 C -0.9135 -0.0932 0.0 0
M  V30 13 C -0.1045 -1.4945 0.0 0
M  V30 14 C -1.1214 0.8848 0.0 0
M  V30 15 C -1.5826 -0.8364 0.0 0
M  V30 16 C -1.0826 -1.7024 0.0 0
M  V30 17 O -0.3783 1.554 0.0 0
M  V30 18 N -2.0725 1.1939 0.0 0
M  V30 19 C -2.5608 -1.0443 0.0 0
M  V30 20 C -1.7518 -2.4455 0.0 0
M  V30 21 C -2.6653 -2.0388 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 3 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 1 19 21
M  V30 21 1 5 6
M  V30 22 1 15 16
M  V30 23 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000832831149

>  <name>
NA

>  <smiles>
NC(=O)C1C2CCCC2CN1C(=O)Cc1sc(=N)[nH]c1O

$$$$
ZINC001645510569
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 9.0932 -3.0 0.0 0
M  V30 2 C 7.7942 -2.25 0.0 0
M  V30 3 C 7.7942 -0.75 0.0 0
M  V30 4 C 6.4951 -2.9999 0.0 0
M  V30 5 C 6.4951 0.0 0.0 0
M  V30 6 C 5.1961 -2.25 0.0 0
M  V30 7 C 5.1961 -0.75 0.0 0
M  V30 8 C 3.8971 0.0 0.0 0 CFG=1
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 3.8971 1.5 0.0 0
M  V30 11 C 1.299 0.0 0.0 0
M  V30 12 F 2.3971 1.5 0.0 0
M  V30 13 F 3.8971 3.0 0.0 0
M  V30 14 F 5.3971 1.5 0.0 0
M  V30 15 C 0.0 -0.75 0.0 0
M  V30 16 N -1.299 0.0 0.0 0
M  V30 17 C 0.0 -2.2499 0.0 0
M  V30 18 C -2.598 -0.7499 0.0 0
M  V30 19 C -1.299 -2.9999 0.0 0
M  V30 20 N -4.0246 -0.2864 0.0 0
M  V30 21 N -2.598 -2.2499 0.0 0
M  V30 22 O -1.299 -4.5 0.0 0
M  V30 23 C -4.9063 -1.4999 0.0 0
M  V30 24 N -4.0246 -2.7135 0.0 0
M  V30 25 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 7
M  V30 8 1 8 9 CFG=1
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 10 13
M  V30 13 1 10 14
M  V30 14 1 11 15
M  V30 15 1 15 16
M  V30 16 2 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 1 20 23
M  V30 23 1 21 24
M  V30 24 2 23 25
M  V30 25 1 6 7
M  V30 26 1 19 21
M  V30 27 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001645510569

>  <name>
NA

>  <smiles>
Fc1ccc(cc1)C(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)C(F)(F)F

$$$$
ZINC000544493853
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br -0.314 5.2417 0.0 0
M  V30 2 C -0.2355 3.7438 0.0 0
M  V30 3 C 1.1009 3.0628 0.0 0
M  V30 4 C -1.4935 2.9268 0.0 0
M  V30 5 C 1.1795 1.5649 0.0 0
M  V30 6 C -1.415 1.4289 0.0 0
M  V30 7 C -0.0785 0.7479 0.0 0
M  V30 8 C 0.0 -0.75 0.0 0
M  V30 9 N 1.299 0.0 0.0 0
M  V30 10 C -0.1567 -2.2417 0.0 0
M  V30 11 C -1.3703 -0.1398 0.0 0
M  V30 12 C 2.598 -0.75 0.0 0
M  V30 13 C -1.624 -2.5536 0.0 0
M  V30 14 C -2.374 -1.2546 0.0 0
M  V30 15 O 3.8971 0.0 0.0 0
M  V30 16 C 2.598 -2.25 0.0 0
M  V30 17 C 1.299 -3.0 0.0 0
M  V30 18 C 3.8971 -2.9999 0.0 0
M  V30 19 C 1.299 -4.5 0.0 0
M  V30 20 C 3.8971 -4.4999 0.0 0
M  V30 21 O 0.0 -5.25 0.0 0
M  V30 22 N 2.598 -5.25 0.0 0
M  V30 23 C 5.1961 -5.2499 0.0 0
M  V30 24 C 6.4951 -4.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 6 7
M  V30 25 1 13 14
M  V30 26 1 20 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000544493853

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1ccc(Br)cc1

$$$$
ZINC000554742504
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.4641 -4.5 0.0 0
M  V30 2 C 3.4641 -3.5 0.0 0
M  V30 3 C 4.3301 -3.0 0.0 0
M  V30 4 C 2.598 -3.0 0.0 0
M  V30 5 C 4.3301 -1.9999 0.0 0
M  V30 6 C 2.598 -2.0 0.0 0
M  V30 7 C 3.4641 -1.5 0.0 0
M  V30 8 N 3.4641 -0.5 0.0 0
M  V30 9 C 4.3301 0.0 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 O 4.3301 1.0 0.0 0
M  V30 12 C 5.1961 -0.5 0.0 0
M  V30 13 C 1.732 -0.5 0.0 0
M  V30 14 N 6.0621 0.0 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 C 6.9282 -0.5 0.0 0
M  V30 17 C 6.0621 0.9999 0.0 0
M  V30 18 O 0.866 1.0 0.0 0
M  V30 19 N 0.0 -0.5 0.0 0
M  V30 20 C 7.7942 0.0 0.0 0
M  V30 21 C 6.9282 1.4999 0.0 0
M  V30 22 O 8.6602 -0.5 0.0 0
M  V30 23 C 7.7942 0.9999 0.0 0
M  V30 24 C 8.6602 1.4999 0.0 0
M  V30 25 O 8.6602 2.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 1 17 21
M  V30 21 1 20 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 24 25
M  V30 25 1 6 7
M  V30 26 1 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000554742504

>  <name>
NA

>  <smiles>
NC(=O)CCN(C(=O)CN1CCC(CO)C(O)C1)c1ccc(F)cc1

$$$$
ZINC000454067711
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 11.199 -1.0 0.0 0
M  V30 2 C 10.199 -1.0 0.0 0
M  V30 3 N 9.6113 -0.1909 0.0 0
M  V30 4 N 9.6113 -1.809 0.0 0
M  V30 5 C 8.6602 -0.5 0.0 0
M  V30 6 C 9.9203 0.76 0.0 0
M  V30 7 C 8.6602 -1.5 0.0 0
M  V30 8 C 9.9203 -2.76 0.0 0
M  V30 9 C 7.7942 0.0 0.0 0
M  V30 10 C 7.7942 -2.0 0.0 0
M  V30 11 C 6.9282 -0.5 0.0 0
M  V30 12 C 6.9282 -1.4999 0.0 0
M  V30 13 N 6.0621 0.0 0.0 0
M  V30 14 C 5.1961 -0.5 0.0 0
M  V30 15 O 5.1961 -1.4999 0.0 0
M  V30 16 C 4.3301 0.0 0.0 0
M  V30 17 O 4.3301 1.0 0.0 0
M  V30 18 N 3.4641 -0.5 0.0 0
M  V30 19 C 2.598 0.0 0.0 0
M  V30 20 C 1.732 -0.5 0.0 0
M  V30 21 C 2.598 1.0 0.0 0
M  V30 22 O 1.732 -1.5 0.0 0
M  V30 23 C 0.866 0.0 0.0 0
M  V30 24 C 1.732 1.5 0.0 0
M  V30 25 C 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 20 23
M  V30 23 1 21 24
M  V30 24 1 23 25
M  V30 25 2 5 7
M  V30 26 1 11 12
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000454067711

>  <name>
NA

>  <smiles>
CCC(O)C(CC)NC(=O)C(=O)Nc1ccc2n(C)c(=O)n(C)c2c1

$$$$
ZINC001373841620
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.5385 -7.6947 0.0 0
M  V30 2 C 3.617 -6.1967 0.0 0
M  V30 3 N 4.9535 -5.5157 0.0 0
M  V30 4 C 2.359 -5.3798 0.0 0
M  V30 5 C 5.032 -4.0178 0.0 0
M  V30 6 C 2.4375 -3.8818 0.0 0 CFG=2
M  V30 7 C 3.774 -3.2008 0.0 0
M  V30 8 C 1.1795 -3.0649 0.0 0
M  V30 9 O -0.157 -3.7458 0.0 0
M  V30 10 N 1.258 -1.5669 0.0 0
M  V30 11 C 0.0 -0.75 0.0 0
M  V30 12 C -1.3703 -0.1398 0.0 0
M  V30 13 C -0.1567 -2.2417 0.0 0
M  V30 14 C 1.299 0.0 0.0 0
M  V30 15 C -2.374 -1.2546 0.0 0
M  V30 16 C -1.624 -2.5536 0.0 0
M  V30 17 N 2.598 -0.75 0.0 0
M  V30 18 C 3.8971 0.0 0.0 0
M  V30 19 C 5.1961 -0.75 0.0 0
M  V30 20 N 5.3529 -2.2417 0.0 0
M  V30 21 C 6.5664 -0.1398 0.0 0
M  V30 22 O 6.8201 -2.5536 0.0 0
M  V30 23 C 7.5701 -1.2546 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 1 5 7
M  V30 7 1 6 8 CFG=1
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 6 7
M  V30 24 1 15 16
M  V30 25 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001373841620

>  <name>
NA

>  <smiles>
O=C(NC1(CNCc2ccon2)CCCC1)C1CCNC(=O)C1

$$$$
ZINC001160469736
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 12.9015 0.7499 0.0 0
M  V30 2 C 11.4015 0.7499 0.0 0
M  V30 3 N 10.5198 1.9635 0.0 0
M  V30 4 N 10.5198 -0.4635 0.0 0
M  V30 5 C 9.0932 1.5 0.0 0
M  V30 6 C 10.9833 3.3901 0.0 0
M  V30 7 C 9.0932 0.0 0.0 0
M  V30 8 C 10.9833 -1.8901 0.0 0
M  V30 9 C 7.7942 2.2499 0.0 0
M  V30 10 C 7.7942 -0.75 0.0 0
M  V30 11 C 6.4951 1.4999 0.0 0
M  V30 12 C 6.4951 0.0 0.0 0
M  V30 13 O 5.1961 2.25 0.0 0
M  V30 14 N 5.1961 -0.75 0.0 0
M  V30 15 C 3.8971 0.0 0.0 0
M  V30 16 O 3.8971 1.5 0.0 0
M  V30 17 C 2.598 -0.75 0.0 0
M  V30 18 C 1.299 0.0 0.0 0
M  V30 19 C 0.0 -0.75 0.0 0 CFG=2
M  V30 20 C -1.3703 -0.1398 0.0 0
M  V30 21 C -0.1567 -2.2417 0.0 0
M  V30 22 O -2.374 -1.2546 0.0 0
M  V30 23 C -1.624 -2.5536 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 2 17 18 CFG=2
M  V30 18 1 19 18 CFG=1
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 5 7
M  V30 24 1 11 12
M  V30 25 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 19)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001160469736

>  <name>
NA

>  <smiles>
Cn1c2cc(O)c(NC(=O)C=CC3CCOC3)cc2n(C)c1=O

$$$$
ZINC000795519119
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 7.312 0.5304 0.0 0
M  V30 2 C 6.3339 0.3225 0.0 0
M  V30 3 C 6.0249 -0.6284 0.0 0
M  V30 4 C 5.6648 1.0657 0.0 0
M  V30 5 C 5.0467 -0.8364 0.0 0
M  V30 6 C 4.6866 0.8577 0.0 0
M  V30 7 C 4.3776 -0.0932 0.0 0
M  V30 8 C 4.5467 -1.7024 0.0 0
M  V30 9 C 3.4641 -0.5 0.0 0
M  V30 10 C 3.5686 -1.4945 0.0 0
M  V30 11 N 2.598 0.0 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 O 1.732 -1.5 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 O 0.866 1.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 C -0.866 0.0 0.0 0
M  V30 18 C 0.0 -1.4999 0.0 0
M  V30 19 C -1.732 -0.4999 0.0 0
M  V30 20 C -0.866 -1.9999 0.0 0
M  V30 21 C -1.732 -1.4999 0.0 0
M  V30 22 C -2.598 0.0 0.0 0
M  V30 23 F -3.098 -0.866 0.0 0
M  V30 24 F -3.4641 0.5 0.0 0
M  V30 25 F -2.098 0.866 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 22 23
M  V30 23 1 22 24
M  V30 24 1 22 25
M  V30 25 1 6 7
M  V30 26 1 9 10
M  V30 27 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000795519119

>  <name>
NA

>  <smiles>
OC(C(=O)NC1CCc2cc(F)ccc12)c1cccc(c1)C(F)(F)F

$$$$
ZINC001413119954
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 -0.5 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 O 5.1961 -0.5 0.0 0
M  V30 4 N 6.0621 0.9999 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 7 N 2.598 0.0 0.0 0
M  V30 8 C 3.4641 -1.5 0.0 0
M  V30 9 C 1.732 -0.5 0.0 0
M  V30 10 C 4.3301 -2.0 0.0 0
M  V30 11 O 1.732 -1.5 0.0 0
M  V30 12 C 0.866 0.0 0.0 0
M  V30 13 C 4.3301 -3.0 0.0 0
M  V30 14 C 5.1961 -1.5 0.0 0
M  V30 15 N 0.0 -0.5 0.0 0
M  V30 16 C 5.1961 -3.5 0.0 0
M  V30 17 C 6.0621 -2.0 0.0 0
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C 6.0621 -3.0 0.0 0
M  V30 21 C -1.732 -0.4999 0.0 0
M  V30 22 C -0.866 -1.9999 0.0 0
M  V30 23 C -1.732 -1.4999 0.0 0
M  V30 24 C -2.598 -1.9999 0.0 0
M  V30 25 O -2.598 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 5
M  V30 6 1 6 7 CFG=3
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 2 10 13
M  V30 13 1 10 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 15 18
M  V30 18 1 15 19
M  V30 19 2 16 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 21 23
M  V30 23 1 23 24
M  V30 24 1 24 25
M  V30 25 1 17 20
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001413119954

>  <name>
NA

>  <smiles>
NC(=O)OCC(Cc1ccccc1)NC(=O)CN1CCC(CO)CC1

$$$$
ZINC000177399587
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 1.299 4.5 0.0 0
M  V30 2 C 2.598 3.75 0.0 0
M  V30 3 C 2.598 2.25 0.0 0
M  V30 4 C 3.8971 4.5 0.0 0
M  V30 5 C 3.8971 1.5 0.0 0
M  V30 6 C 5.1961 3.75 0.0 0
M  V30 7 C 5.1961 2.25 0.0 0
M  V30 8 C 3.8971 0.0 0.0 0 CFG=1
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 5.1961 -0.75 0.0 0
M  V30 11 C 3.8971 -1.5 0.0 0
M  V30 12 C 1.299 0.0 0.0 0
M  V30 13 O 6.4951 0.0 0.0 0
M  V30 14 N 5.1961 -2.25 0.0 0
M  V30 15 C 0.0 -0.75 0.0 0
M  V30 16 N 0.0 -2.2499 0.0 0
M  V30 17 C -1.299 0.0 0.0 0
M  V30 18 C -1.299 -2.9999 0.0 0
M  V30 19 C -2.598 -0.7499 0.0 0
M  V30 20 N -2.598 -2.2499 0.0 0
M  V30 21 C -1.6109 -4.4672 0.0 0
M  V30 22 O -3.8971 0.0 0.0 0
M  V30 23 N -3.7127 -3.2536 0.0 0
M  V30 24 C -3.1026 -4.624 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 5
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11 CFG=1
M  V30 11 1 9 12
M  V30 12 2 10 13
M  V30 13 1 10 14
M  V30 14 1 12 15
M  V30 15 1 15 16
M  V30 16 2 15 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 1 20 23
M  V30 23 2 21 24
M  V30 24 1 6 7
M  V30 25 1 19 20
M  V30 26 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000177399587

>  <name>
NA

>  <smiles>
CC(NCc1cc(=O)n2[nH]ccc2n1)(C(N)=O)c1cccc(Cl)c1

$$$$
ZINC001375279281
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.5385 -7.6947 0.0 0
M  V30 2 C 3.617 -6.1967 0.0 0
M  V30 3 N 4.9535 -5.5157 0.0 0
M  V30 4 C 2.359 -5.3798 0.0 0
M  V30 5 C 5.032 -4.0178 0.0 0
M  V30 6 C 2.4375 -3.8818 0.0 0 CFG=2
M  V30 7 C 3.774 -3.2008 0.0 0
M  V30 8 C 1.1795 -3.0649 0.0 0
M  V30 9 O -0.157 -3.7458 0.0 0
M  V30 10 N 1.258 -1.5669 0.0 0
M  V30 11 C 0.0 -0.75 0.0 0
M  V30 12 C -1.3703 -0.1398 0.0 0
M  V30 13 C -0.1567 -2.2417 0.0 0
M  V30 14 C 1.299 0.0 0.0 0
M  V30 15 C -2.374 -1.2546 0.0 0
M  V30 16 C -1.624 -2.5536 0.0 0
M  V30 17 N 2.598 -0.75 0.0 0
M  V30 18 C 3.8971 0.0 0.0 0
M  V30 19 O 5.1961 -0.75 0.0 0
M  V30 20 C 3.8971 1.5 0.0 0
M  V30 21 C 2.3971 1.5 0.0 0
M  V30 22 C 3.8971 3.0 0.0 0
M  V30 23 C 5.3971 1.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 1 5 7
M  V30 7 1 6 8 CFG=1
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 1 20 23
M  V30 23 1 6 7
M  V30 24 1 15 16
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001375279281

>  <name>
NA

>  <smiles>
CC(C)(C)C(=O)NCC1(CCCC1)NC(=O)C1CCNC(=O)C1

$$$$
ZINC001328572432
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 5.9461 0.549 0.0 0
M  V30 2 C 5.1961 -0.75 0.0 0
M  V30 3 F 6.4951 -1.5 0.0 0
M  V30 4 F 4.4461 -2.049 0.0 0
M  V30 5 C 3.8971 0.0 0.0 0 CFG=2
M  V30 6 N 2.598 -0.75 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 1.299 0.0 0.0 0
M  V30 9 O 5.1106 2.3816 0.0 0
M  V30 10 C 2.6835 2.3816 0.0 0
M  V30 11 C 0.0 -0.75 0.0 0
M  V30 12 C 4.6471 3.8082 0.0 0
M  V30 13 C 3.1471 3.8082 0.0 0
M  V30 14 N -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.2499 0.0 0
M  V30 16 C 5.5287 5.0217 0.0 0
M  V30 17 C -2.598 -0.7499 0.0 0
M  V30 18 C -1.299 -2.9999 0.0 0
M  V30 19 N -4.0246 -0.2864 0.0 0
M  V30 20 N -2.598 -2.2499 0.0 0
M  V30 21 O -1.299 -4.4999 0.0 0
M  V30 22 C -4.9063 -1.4999 0.0 0
M  V30 23 N -4.0246 -2.7135 0.0 0
M  V30 24 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 2
M  V30 5 1 5 6 CFG=3
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 2 7 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 2 11 15
M  V30 15 1 12 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 22 24
M  V30 24 2 12 13
M  V30 25 1 18 20
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001328572432

>  <name>
NA

>  <smiles>
Cc1ccc(o1)C(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)C(F)(F)F

$$$$
ZINC000529233684
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.0621 -1.9999 0.0 0
M  V30 2 C 5.1961 -1.4999 0.0 0
M  V30 3 N 5.1961 -0.5 0.0 0
M  V30 4 C 4.3301 -1.9999 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0
M  V30 6 C 3.4641 -1.5 0.0 0
M  V30 7 C 3.4641 -0.5 0.0 0
M  V30 8 C 4.3301 1.0 0.0 0
M  V30 9 N 2.598 0.0 0.0 0
M  V30 10 C 4.8301 1.866 0.0 0
M  V30 11 C 3.8301 1.866 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 O 1.732 -1.5 0.0 0
M  V30 14 N 0.866 0.0 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 C -0.9135 -0.0932 0.0 0
M  V30 17 C -0.1045 -1.4945 0.0 0
M  V30 18 N -1.5826 -0.8364 0.0 0
M  V30 19 C -1.1214 0.8848 0.0 0
M  V30 20 N -1.0826 -1.7024 0.0 0
M  V30 21 O -0.4523 1.628 0.0 0
M  V30 22 C -2.035 1.2916 0.0 0
M  V30 23 C -1.4894 -2.6159 0.0 0
M  V30 24 C -0.9523 2.494 0.0 0
M  V30 25 C -1.9304 2.2861 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 2 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 19 21
M  V30 21 2 19 22
M  V30 22 1 20 23
M  V30 23 1 21 24
M  V30 24 1 22 25
M  V30 25 1 6 7
M  V30 26 1 10 11
M  V30 27 1 18 20
M  V30 28 2 24 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000529233684

>  <name>
NA

>  <smiles>
Cn1cc(NC(=O)NC2CCC(=O)NC2C2CC2)c(n1)-c1ccco1

$$$$
ZINC001617443259
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 2.6835 2.3816 0.0 0
M  V30 2 C 3.8971 1.5 0.0 0
M  V30 3 C 3.1471 3.8082 0.0 0
M  V30 4 C 5.1106 2.3816 0.0 0
M  V30 5 C 3.8971 0.0 0.0 0 CFG=1
M  V30 6 C 4.6471 3.8082 0.0 0
M  V30 7 C 6.5372 1.9181 0.0 0
M  V30 8 N 2.598 -0.75 0.0 0
M  V30 9 C 5.1961 -0.75 0.0 0
M  V30 10 C 1.299 0.0 0.0 0
M  V30 11 O 6.4951 0.0 0.0 0
M  V30 12 C 0.0 -0.75 0.0 0
M  V30 13 N -1.299 0.0 0.0 0
M  V30 14 C 0.0 -2.2499 0.0 0
M  V30 15 C -2.598 -0.7499 0.0 0
M  V30 16 C -1.299 -2.9999 0.0 0
M  V30 17 N -4.0246 -0.2864 0.0 0
M  V30 18 N -2.598 -2.2499 0.0 0
M  V30 19 O -1.299 -4.4999 0.0 0
M  V30 20 C -4.9063 -1.4999 0.0 0
M  V30 21 N -4.0246 -2.7135 0.0 0
M  V30 22 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 5 2
M  V30 5 2 3 6
M  V30 6 1 4 7
M  V30 7 1 5 8 CFG=3
M  V30 8 1 5 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 2 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 2 20 22
M  V30 22 1 4 6
M  V30 23 1 16 18
M  V30 24 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001617443259

>  <name>
NA

>  <smiles>
Cc1ccsc1C(CO)NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC001122005923
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 1.3256 2.7004 0.0 0
M  V30 2 C 0.5323 2.0916 0.0 0
M  V30 3 C 0.6628 1.1002 0.0 0
M  V30 4 C -0.3915 2.4743 0.0 0
M  V30 5 C -0.1305 0.4914 0.0 0
M  V30 6 C -1.1849 1.8655 0.0 0
M  V30 7 C -1.0544 0.8741 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.2588 -1.4659 0.0 0
M  V30 11 C -0.9659 -0.2411 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 C -1.2247 -1.2071 0.0 0
M  V30 14 O 2.598 0.0 0.0 0
M  V30 15 C 1.732 -1.5 0.0 0
M  V30 16 N 2.541 -2.0877 0.0 0
M  V30 17 C 0.923 -2.0877 0.0 0
M  V30 18 C 2.232 -3.0388 0.0 0
M  V30 19 N 1.232 -3.0388 0.0 0
M  V30 20 C 2.732 -3.9048 0.0 0
M  V30 21 C 0.732 -3.9048 0.0 0
M  V30 22 C 2.232 -4.7708 0.0 0
M  V30 23 C 1.232 -4.7708 0.0 0
M  V30 24 C 0.732 -5.6369 0.0 0
M  V30 25 N -0.2679 -5.6369 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 15 16
M  V30 16 2 15 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 2 21 23
M  V30 23 1 23 24
M  V30 24 1 24 25
M  V30 25 1 6 7
M  V30 26 1 11 13
M  V30 27 1 18 19
M  V30 28 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001122005923

>  <name>
NA

>  <smiles>
NCc1ccc2nc(cn2c1)C(=O)NC1(CCC1)c1cccc(F)c1

$$$$
ZINC001455320664
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 0.9999 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 N 5.1961 -0.5 0.0 0
M  V30 4 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 5 C 6.0621 0.0 0.0 0
M  V30 6 N 2.598 0.0 0.0 0
M  V30 7 C 3.4641 -1.5 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 C 4.3301 -2.0 0.0 0
M  V30 10 O 1.732 -1.5 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 N 4.4346 -2.9945 0.0 0
M  V30 13 C 5.2436 -1.5932 0.0 0
M  V30 14 N 0.0 -0.5 0.0 0
M  V30 15 C 5.4128 -3.2024 0.0 0
M  V30 16 N 5.9128 -2.3364 0.0 0
M  V30 17 C -0.866 0.0 0.0 0
M  V30 18 C 0.0 -1.4999 0.0 0
M  V30 19 C -1.732 -0.4999 0.0 0
M  V30 20 C -0.866 -1.9999 0.0 0
M  V30 21 C -1.732 -1.4999 0.0 0
M  V30 22 C -2.598 -1.9999 0.0 0
M  V30 23 O -2.598 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 4 2
M  V30 4 1 3 5
M  V30 5 1 4 6 CFG=3
M  V30 6 1 4 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 2 9 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 14 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 15 16
M  V30 24 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 4)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001455320664

>  <name>
NA

>  <smiles>
CNC(=O)C(Cc1c[nH]cn1)NC(=O)CN1CCC(CO)CC1

$$$$
ZINC001240794368
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 0.549 1.299 0.0 0
M  V30 2 C 1.299 0.0 0.0 0
M  V30 3 F 2.598 0.75 0.0 0
M  V30 4 F 2.049 -1.299 0.0 0
M  V30 5 C 0.0 -0.75 0.0 0
M  V30 6 C -1.299 0.0 0.0 0
M  V30 7 C 0.0 -2.25 0.0 0
M  V30 8 N -2.598 -0.75 0.0 0
M  V30 9 C -1.299 -3.0 0.0 0
M  V30 10 C -2.598 -2.25 0.0 0
M  V30 11 C -1.299 -4.5 0.0 0
M  V30 12 C -2.598 -5.25 0.0 0
M  V30 13 C 0.0 -5.25 0.0 0
M  V30 14 C -2.598 -6.75 0.0 0
M  V30 15 C 0.0 -6.75 0.0 0
M  V30 16 C -1.299 -7.5 0.0 0
M  V30 17 C -3.8971 -7.5 0.0 0
M  V30 18 C -1.299 -9.0 0.0 0
M  V30 19 C -3.8971 -9.0 0.0 0
M  V30 20 N -2.598 -9.75 0.0 0
M  V30 21 C -0.549 -10.299 0.0 0
M  V30 22 C 0.2009 -8.9999 0.0 0
M  V30 23 O -5.1961 -9.75 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 9 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 2 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 1 18 22
M  V30 22 2 19 23
M  V30 23 1 9 10
M  V30 24 1 15 16
M  V30 25 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001240794368

>  <name>
NA

>  <smiles>
CC1(C)NC(=O)Cc2cc(ccc12)-c1cncc(c1)C(F)(F)F

$$$$
ZINC000517873287
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.0621 -2.0 0.0 0
M  V30 2 C 5.1961 -1.5 0.0 0
M  V30 3 C 5.1961 -0.5 0.0 0
M  V30 4 C 4.3301 -1.9999 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0
M  V30 6 C 3.4641 -1.4999 0.0 0
M  V30 7 N 4.3301 0.9999 0.0 0
M  V30 8 C 3.4641 -0.4999 0.0 0
M  V30 9 C 3.4641 1.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 O 3.4641 2.5 0.0 0
M  V30 12 C 2.598 0.9999 0.0 0
M  V30 13 C 1.732 -0.5 0.0 0 CFG=2
M  V30 14 O 1.732 -1.5 0.0 0
M  V30 15 N 0.866 0.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 C -0.7991 0.1011 0.0 0
M  V30 18 C -0.2499 -1.5083 0.0 0
M  V30 19 C 0.2181 -2.2895 0.0 0
M  V30 20 C -1.7193 -0.2904 0.0 0
M  V30 21 C -0.9404 -1.8021 0.0 0
M  V30 22 C -0.702 -2.681 0.0 0
M  V30 23 C -1.8403 -1.2831 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 13 10
M  V30 13 1 13 14 CFG=3
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 6 8
M  V30 24 2 10 12
M  V30 25 1 21 23
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000517873287

>  <name>
NA

>  <smiles>
OC(NC12CCC(CC1)CC2)c1cc(=O)[nH]c2cc(F)ccc12

$$$$
ZINC000888166908
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.4641 2.5 0.0 0
M  V30 2 C 3.4641 2.5 0.0 0
M  V30 3 F 3.4641 3.5 0.0 0
M  V30 4 F 4.4641 2.5 0.0 0
M  V30 5 C 3.4641 1.5 0.0 0
M  V30 6 C 2.598 1.0 0.0 0
M  V30 7 C 4.3301 1.0 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 C 4.3301 0.0 0.0 0
M  V30 10 C 1.732 -0.5 0.0 0
M  V30 11 C 3.4641 -0.4999 0.0 0
M  V30 12 O 1.732 -1.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 O 0.866 1.0 0.0 0
M  V30 15 N 0.0 -0.5 0.0 0
M  V30 16 C 0.0 -1.5 0.0 0
M  V30 17 C -0.866 0.0 0.0 0
M  V30 18 N -0.866 -1.9999 0.0 0
M  V30 19 C 0.7431 -2.1691 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -1.732 -1.4999 0.0 0
M  V30 22 C -0.6581 -2.9781 0.0 0
M  V30 23 C 0.3364 -3.0826 0.0 0
M  V30 24 O -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 1 8 10
M  V30 10 2 8 11
M  V30 11 2 10 12
M  V30 12 1 10 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 18 22
M  V30 22 1 19 23
M  V30 23 2 21 24
M  V30 24 1 9 11
M  V30 25 1 20 21
M  V30 26 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000888166908

>  <name>
NA

>  <smiles>
OC(N1CCC(=O)N2CCCC12)C(=O)c1cccc(c1)C(F)(F)F

$$$$
ZINC001578212867
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 2.598 0.0 0.0 0
M  V30 2 O 2.598 1.0 0.0 0
M  V30 3 C 1.732 -0.5 0.0 0
M  V30 4 C 3.4641 -0.5 0.0 0
M  V30 5 C 0.866 0.0 0.0 0
M  V30 6 C 4.3301 0.0 0.0 0
M  V30 7 N 0.0 -0.5 0.0 0
M  V30 8 C -0.9135 -0.0932 0.0 0
M  V30 9 C -0.1045 -1.4945 0.0 0
M  V30 10 N -1.5826 -0.8364 0.0 0
M  V30 11 N -1.1214 0.8848 0.0 0
M  V30 12 N -1.0826 -1.7024 0.0 0
M  V30 13 C 0.6386 -2.1636 0.0 0
M  V30 14 C -0.4523 1.628 0.0 0
M  V30 15 C -2.035 1.2916 0.0 0
M  V30 16 N 0.534 -3.1581 0.0 0
M  V30 17 C 1.6167 -1.9557 0.0 0
M  V30 18 C -0.9523 2.494 0.0 0
M  V30 19 C -1.9304 2.2861 0.0 0
M  V30 20 C 1.4476 -3.5649 0.0 0
M  V30 21 C 2.1167 -2.8217 0.0 0
M  V30 22 N -0.5455 3.4075 0.0 0
M  V30 23 O 1.6555 -4.543 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 1 3
M  V30 3 1 1 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 7 8
M  V30 8 1 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 9 13
M  V30 13 1 11 14
M  V30 14 1 11 15
M  V30 15 1 13 16
M  V30 16 2 13 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 1 17 21
M  V30 21 1 18 22
M  V30 22 1 20 23
M  V30 23 1 10 12
M  V30 24 1 18 19
M  V30 25 2 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001578212867

>  <name>
NA

>  <smiles>
CC[S+]([O-])CCN1C(NN=C1N1CCC(N)C1)c1ccc(O)[nH]1

$$$$
ZINC001413335798
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.8147 -3.4344 0.0 0
M  V30 2 C 3.3147 -2.5684 0.0 0
M  V30 3 N 4.3147 -2.5684 0.0 0
M  V30 4 C 2.8147 -1.7024 0.0 0
M  V30 5 C 4.8147 -1.7024 0.0 0
M  V30 6 C 3.3147 -0.8364 0.0 0
M  V30 7 C 1.8365 -1.4945 0.0 0
M  V30 8 N 4.3147 -0.8364 0.0 0
M  V30 9 C 5.8147 -1.7024 0.0 0
M  V30 10 C 2.6455 -0.0932 0.0 0
M  V30 11 N 1.732 -0.5 0.0 0
M  V30 12 C 0.866 0.0 0.0 0
M  V30 13 O 0.866 1.0 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0
M  V30 15 N -0.866 0.0 0.0 0
M  V30 16 C 0.0 -1.4999 0.0 0
M  V30 17 C -1.732 -0.4999 0.0 0
M  V30 18 C -0.866 -1.9999 0.0 0
M  V30 19 O -2.598 0.0 0.0 0
M  V30 20 C -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 2 3 5
M  V30 5 2 4 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 11 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 2 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 6 8
M  V30 21 1 10 11
M  V30 22 2 18 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001413335798

>  <name>
NA

>  <smiles>
Cc1nc(=O)c2CN(Cc2[nH]1)C(=O)c1cccc(=O)[nH]1

$$$$
ZINC001118747060
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -3.0 0.0 0
M  V30 2 C 2.598 -1.9999 0.0 0
M  V30 3 N 3.4641 -1.4999 0.0 0
M  V30 4 C 1.732 -1.4999 0.0 0
M  V30 5 N 4.4151 -1.809 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 C 5.0029 -0.9999 0.0 0
M  V30 9 N 4.4151 -0.1909 0.0 0
M  V30 10 N 2.598 0.0 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 N 6.0029 -0.9999 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C -0.866 0.0 0.0 0
M  V30 15 C 0.0 -1.4999 0.0 0
M  V30 16 C -1.732 -0.4999 0.0 0 CFG=2
M  V30 17 C -0.866 -2.0 0.0 0
M  V30 18 C -1.732 -1.5 0.0 0
M  V30 19 C -2.598 0.0 0.0 0
M  V30 20 C -3.4641 -0.4999 0.0 0
M  V30 21 N -4.3776 -0.0932 0.0 0
M  V30 22 N -3.5686 -1.4945 0.0 0
M  V30 23 C -5.0467 -0.8364 0.0 0
M  V30 24 C -4.5467 -1.7024 0.0 0
M  V30 25 C -2.8254 -2.1636 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 16 14
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 16 19 CFG=3
M  V30 19 1 19 20
M  V30 20 2 20 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 22 25
M  V30 25 1 7 10
M  V30 26 1 8 9
M  V30 27 1 17 18
M  V30 28 2 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 16)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001118747060

>  <name>
NA

>  <smiles>
Cn1ccnc1CC1CCCN(Cc2cc(=O)n3[nH]c(=N)nc3[nH]2)C1

$$$$
ZINC000328683465
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 5.5621 0.866 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 F 6.9282 0.4999 0.0 0
M  V30 4 F 6.5621 -0.866 0.0 0
M  V30 5 C 5.1961 -0.5 0.0 0
M  V30 6 C 4.3301 0.0 0.0 0
M  V30 7 C 5.1961 -1.4999 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0
M  V30 9 C 4.3301 -1.9999 0.0 0
M  V30 10 C 3.4641 -1.4999 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 1.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 3.098 1.866 0.0 0
M  V30 16 C 2.098 1.866 0.0 0
M  V30 17 O 0.866 1.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 C -0.866 0.0 0.0 0
M  V30 20 C 0.0 -1.4999 0.0 0
M  V30 21 C -1.732 -0.4999 0.0 0
M  V30 22 C -0.866 -1.9999 0.0 0
M  V30 23 O -2.598 0.0 0.0 0
M  V30 24 N -1.732 -1.4999 0.0 0
M  V30 25 C -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 14 18
M  V30 18 1 18 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 21 24
M  V30 24 1 22 25
M  V30 25 1 9 10
M  V30 26 1 15 16
M  V30 27 1 22 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000328683465

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)NC(C1CC1)c1cccc(c1)C(F)(F)F

$$$$
ZINC001363228592
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.7499 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 N 7.6099 2.5036 0.0 0
M  V30 6 C 5.1961 2.25 0.0 0
M  V30 7 C 3.8971 0.0 0.0 0
M  V30 8 C 6.9998 3.874 0.0 0
M  V30 9 N 5.508 3.7172 0.0 0
M  V30 10 N 3.8971 1.5 0.0 0
M  V30 11 C 2.598 -0.75 0.0 0
M  V30 12 N 7.7498 5.173 0.0 0
M  V30 13 N 1.299 0.0 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 C -1.3703 -0.1398 0.0 0
M  V30 16 C -0.1567 -2.2417 0.0 0
M  V30 17 C -2.374 -1.2546 0.0 0
M  V30 18 C -1.6821 1.3273 0.0 0
M  V30 19 C -1.624 -2.5536 0.0 0
M  V30 20 C -0.5674 2.331 0.0 0
M  V30 21 O -0.8793 3.7982 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 1 7 10
M  V30 22 1 8 9
M  V30 23 1 17 19
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001363228592

>  <name>
NA

>  <smiles>
OCCC1CCCC1NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC000648537705
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.7716 0.398 0.0 0
M  V30 2 C 2.5758 -1.0891 0.0 0
M  V30 3 C 1.19 -1.6631 0.0 0
M  V30 4 C 3.7658 -2.0022 0.0 0
M  V30 5 C 0.9942 -3.1503 0.0 0
M  V30 6 C 0.0 -0.75 0.0 0
M  V30 7 C 3.57 -3.4894 0.0 0
M  V30 8 C 2.1842 -4.0634 0.0 0
M  V30 9 N 1.299 0.0 0.0 0
M  V30 10 C -1.4488 -0.3617 0.0 0
M  V30 11 C -0.3882 -2.1988 0.0 0
M  V30 12 C 1.299 1.4999 0.0 0
M  V30 13 C -1.8371 -1.8106 0.0 0
M  V30 14 O 2.598 2.2499 0.0 0
M  V30 15 C 0.0 2.25 0.0 0 CFG=2
M  V30 16 C -1.299 1.5 0.0 0
M  V30 17 C 0.0 3.75 0.0 0
M  V30 18 C -2.598 2.25 0.0 0
M  V30 19 C -1.299 4.5 0.0 0
M  V30 20 O -3.8971 1.5 0.0 0
M  V30 21 N -2.598 3.75 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 6 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 2 12 14
M  V30 14 1 15 12 CFG=3
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 7 8
M  V30 22 1 11 13
M  V30 23 1 19 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 15)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000648537705

>  <name>
NA

>  <smiles>
Fc1ccccc1C1(CCC1)NC(=O)C1CCNC(=O)C1

$$$$
ZINC001015297949
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.75 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 C 5.1961 2.25 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 5.1961 3.75 0.0 0
M  V30 9 C 2.598 -0.75 0.0 0
M  V30 10 C 3.8971 4.5 0.0 0
M  V30 11 O 2.598 -2.25 0.0 0
M  V30 12 N 1.299 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 C -1.3703 -0.1398 0.0 0
M  V30 15 C -0.1567 -2.2417 0.0 0
M  V30 16 N -2.374 -1.2546 0.0 0
M  V30 17 C -1.624 -2.5536 0.0 0
M  V30 18 C -3.8657 -1.0978 0.0 0
M  V30 19 C -4.4759 0.2724 0.0 0
M  V30 20 C -5.9676 0.4292 0.0 0
M  V30 21 O -6.5777 1.7996 0.0 0
M  V30 22 C -6.8493 -0.7842 0.0 0
M  V30 23 C -8.0695 1.9564 0.0 0
M  V30 24 C -8.3411 -0.6274 0.0 0
M  V30 25 C -8.9512 0.7428 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 23 25
M  V30 25 1 6 7
M  V30 26 1 16 17
M  V30 27 1 24 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001015297949

>  <name>
NA

>  <smiles>
CCc1cc(cc(=O)[nH]1)C(=O)NC1CCN(CCC2CCCCO2)C1

$$$$
ZINC000651176737
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 1.732 -0.5 0.0 0
M  V30 2 C 2.598 0.0 0.0 0
M  V30 3 C 1.732 -1.5 0.0 0
M  V30 4 N 3.4641 -0.4999 0.0 0
M  V30 5 N 2.598 0.9999 0.0 0
M  V30 6 C 0.866 -2.0 0.0 0 CFG=2
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 3.4641 1.5 0.0 0
M  V30 9 C 1.732 1.4999 0.0 0
M  V30 10 N 0.7614 -2.9945 0.0 0
M  V30 11 C -0.0475 -1.5932 0.0 0
M  V30 12 C 4.3301 1.0 0.0 0
M  V30 13 C 5.1961 -0.4999 0.0 0
M  V30 14 O 3.4641 2.5 0.0 0
M  V30 15 C 0.866 0.9999 0.0 0
M  V30 16 C -0.2166 -3.2024 0.0 0
M  V30 17 C -0.7166 -2.3364 0.0 0
M  V30 18 C 5.1961 1.5 0.0 0
M  V30 19 C 6.0621 0.0 0.0 0
M  V30 20 O -0.0475 1.4067 0.0 0
M  V30 21 C 0.7614 0.0054 0.0 0
M  V30 22 O -0.6233 -4.1159 0.0 0
M  V30 23 C 6.0621 1.0 0.0 0
M  V30 24 C -0.7166 0.6635 0.0 0
M  V30 25 C -0.2166 -0.2024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 1 6 3 CFG=3
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 6 11
M  V30 11 2 7 12
M  V30 12 1 7 13
M  V30 13 2 8 14
M  V30 14 1 9 15
M  V30 15 1 10 16
M  V30 16 1 11 17
M  V30 17 1 12 18
M  V30 18 2 13 19
M  V30 19 1 15 20
M  V30 20 2 15 21
M  V30 21 2 16 22
M  V30 22 2 18 23
M  V30 23 1 20 24
M  V30 24 1 21 25
M  V30 25 1 8 12
M  V30 26 1 16 17
M  V30 27 1 19 23
M  V30 28 2 24 25
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000651176737

>  <name>
NA

>  <smiles>
O=C1CCC(CSc2nc3ccccc3c(=O)n2Cc2ccco2)N1

$$$$
ZINC001180945928
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 10.3761 -2.9418 0.0 0
M  V30 2 C 8.9089 -3.2536 0.0 0
M  V30 3 N 7.7942 -2.2499 0.0 0
M  V30 4 C 8.2988 -4.624 0.0 0
M  V30 5 C 6.4951 -2.9999 0.0 0 CFG=2
M  V30 6 C 7.7942 -0.7499 0.0 0
M  V30 7 C 6.807 -4.4672 0.0 0
M  V30 8 C 8.9089 -5.9943 0.0 0
M  V30 9 C 5.1961 -2.25 0.0 0
M  V30 10 C 6.4951 0.0 0.0 0
M  V30 11 C 5.9253 -5.6807 0.0 0
M  V30 12 C 8.0272 -7.2078 0.0 0
M  V30 13 N 5.1961 -0.75 0.0 0
M  V30 14 C 6.5354 -7.051 0.0 0
M  V30 15 C 3.8971 0.0 0.0 0
M  V30 16 O 3.8971 1.5 0.0 0
M  V30 17 C 2.598 -0.75 0.0 0
M  V30 18 N 1.299 0.0 0.0 0
M  V30 19 C 1.299 1.5 0.0 0
M  V30 20 C 0.0 -0.75 0.0 0
M  V30 21 C 2.598 2.25 0.0 0
M  V30 22 C 0.0 2.2499 0.0 0
M  V30 23 C 2.598 3.75 0.0 0
M  V30 24 C 0.0 3.75 0.0 0
M  V30 25 C 1.299 4.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 3 CFG=3
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 9 13
M  V30 13 2 11 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 2 23 25
M  V30 25 1 5 7
M  V30 26 1 10 13
M  V30 27 1 12 14
M  V30 28 1 24 25
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001180945928

>  <name>
NA

>  <smiles>
CN(CC(=O)N1CCN2C(C1)c1ccccc1C2=O)c1ccccc1

$$$$
ZINC000988524945
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.5855 0.8848 0.0 0
M  V30 2 C 4.3776 -0.0932 0.0 0
M  V30 3 N 3.4641 -0.5 0.0 0
M  V30 4 N 5.0467 -0.8364 0.0 0
M  V30 5 C 3.5686 -1.4945 0.0 0
M  V30 6 C 2.598 0.0 0.0 0
M  V30 7 C 4.5467 -1.7024 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C 0.0 -0.5 0.0 0
M  V30 11 C -0.9135 -0.0932 0.0 0
M  V30 12 C -0.1045 -1.4945 0.0 0
M  V30 13 N -1.5826 -0.8364 0.0 0
M  V30 14 C -1.0826 -1.7024 0.0 0
M  V30 15 C -2.5771 -0.7318 0.0 0
M  V30 16 C -1.4894 -2.6159 0.0 0
M  V30 17 O -2.9839 0.1816 0.0 0
M  V30 18 C -3.1649 -1.5408 0.0 0
M  V30 19 C -4.1595 -1.4363 0.0 0
M  V30 20 C -4.7472 -2.2453 0.0 0
M  V30 21 N -5.7472 -2.2453 0.0 0
M  V30 22 N -4.4382 -3.1964 0.0 0
M  V30 23 N -6.0563 -3.1964 0.0 0
M  V30 24 C -5.2472 -3.7842 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 6 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 2 20 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 1 5 7
M  V30 25 1 13 14
M  V30 26 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000988524945

>  <name>
NA

>  <smiles>
CC1CC(CN1C(=O)CCc1nc[nH]n1)NCCN1CCNC1=O

$$$$
ZINC000408165247
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S -0.891 1.0432 0.0 0
M  V30 2 C -0.0523 0.4986 0.0 0
M  V30 3 C -0.6321 2.0091 0.0 0
M  V30 4 N 0.7248 1.1279 0.0 0
M  V30 5 C 0.0 -0.5 0.0 0
M  V30 6 C 0.3664 2.0615 0.0 0
M  V30 7 N 0.866 0.0 0.0 0
M  V30 8 C -0.1045 -1.4945 0.0 0
M  V30 9 C -0.9135 -0.0932 0.0 0
M  V30 10 C 0.911 2.9002 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0
M  V30 12 C -1.0826 -1.7024 0.0 0
M  V30 13 C -1.5826 -0.8364 0.0 0
M  V30 14 O 2.598 0.0 0.0 0
M  V30 15 C 1.732 -1.5 0.0 0
M  V30 16 C 0.866 -1.9999 0.0 0
M  V30 17 C 2.598 -2.0 0.0 0
M  V30 18 C 0.866 -2.9999 0.0 0
M  V30 19 C 2.598 -3.0 0.0 0
M  V30 20 O 0.0 -3.4999 0.0 0
M  V30 21 N 1.732 -3.5 0.0 0
M  V30 22 C 3.4641 -3.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 8 12
M  V30 12 1 9 13
M  V30 13 2 11 14
M  V30 14 1 11 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 4 6
M  V30 23 1 12 13
M  V30 24 1 19 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000408165247

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1nc(C)cs1

$$$$
ZINC000655069853
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.4525 -2.4097 0.0 0
M  V30 2 C 3.4002 -1.411 0.0 0
M  V30 3 F 4.3988 -1.3587 0.0 0
M  V30 4 F 3.3478 -0.4124 0.0 0
M  V30 5 C 2.4015 -1.4634 0.0 0
M  V30 6 O 1.8569 -2.302 0.0 0
M  V30 7 N 1.7722 -0.6862 0.0 0
M  V30 8 N 0.891 -2.0432 0.0 0
M  V30 9 C 0.8386 -1.0446 0.0 0
M  V30 10 C 0.0 -0.5 0.0 0
M  V30 11 N 0.866 0.0 0.0 0
M  V30 12 C -0.9135 -0.0932 0.0 0
M  V30 13 C -0.1045 -1.4945 0.0 0
M  V30 14 C 0.866 0.9999 0.0 0
M  V30 15 C -1.5826 -0.8364 0.0 0
M  V30 16 C -1.0826 -1.7024 0.0 0
M  V30 17 O 1.732 1.4999 0.0 0
M  V30 18 C 0.0 1.5 0.0 0
M  V30 19 C -0.866 1.0 0.0 0
M  V30 20 C 0.0 2.5 0.0 0
M  V30 21 C -1.732 1.4999 0.0 0
M  V30 22 C -0.866 2.9999 0.0 0
M  V30 23 O -2.598 1.0 0.0 0
M  V30 24 N -1.732 2.5 0.0 0
M  V30 25 C -0.866 4.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 5 6
M  V30 6 2 5 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 14 18
M  V30 18 1 18 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 21 24
M  V30 24 1 22 25
M  V30 25 2 8 9
M  V30 26 1 15 16
M  V30 27 1 22 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000655069853

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1noc(n1)C(F)(F)F

$$$$
ZINC000650901016
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.5355 -2.6213 0.0 0
M  V30 2 C 2.8284 -3.3284 0.0 0
M  V30 3 F 3.5355 -4.0355 0.0 0
M  V30 4 F 2.1213 -4.0355 0.0 0
M  V30 5 C 2.1213 -2.6213 0.0 0
M  V30 6 C 2.3801 -1.6553 0.0 0
M  V30 7 C 1.1553 -2.8801 0.0 0
M  V30 8 C 1.673 -0.9482 0.0 0
M  V30 9 C 0.4482 -2.173 0.0 0
M  V30 10 C 0.7071 -1.2071 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 N 0.866 0.0 0.0 0
M  V30 13 C -1.0 -0.4999 0.0 0
M  V30 14 C -0.5 -1.366 0.0 0
M  V30 15 C 0.866 0.9999 0.0 0
M  V30 16 O 1.732 1.4999 0.0 0
M  V30 17 C 0.0 1.5 0.0 0 CFG=2
M  V30 18 C -0.866 1.0 0.0 0
M  V30 19 C 0.0 2.5 0.0 0
M  V30 20 C -1.732 1.4999 0.0 0
M  V30 21 C -0.866 2.9999 0.0 0
M  V30 22 O -2.598 1.0 0.0 0
M  V30 23 N -1.732 2.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 2 15 16
M  V30 16 1 17 15 CFG=3
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 9 10
M  V30 24 1 13 14
M  V30 25 1 21 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 17)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000650901016

>  <name>
NA

>  <smiles>
FC(F)(F)c1ccc(cc1)C1(CC1)NC(=O)C1CCNC(=O)C1

$$$$
ZINC000874858247
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 9.0932 -3.0 0.0 0
M  V30 2 C 7.7942 -2.25 0.0 0
M  V30 3 C 7.7942 -0.75 0.0 0
M  V30 4 C 6.4952 -3.0 0.0 0
M  V30 5 C 6.4952 0.0 0.0 0
M  V30 6 C 5.1961 -2.25 0.0 0
M  V30 7 N 6.4952 1.5 0.0 0
M  V30 8 C 5.1961 -0.75 0.0 0
M  V30 9 C 5.1961 2.25 0.0 0
M  V30 10 C 3.8971 0.0 0.0 0
M  V30 11 O 5.1961 3.75 0.0 0
M  V30 12 C 3.8971 1.5 0.0 0
M  V30 13 C 2.598 -0.75 0.0 0 CFG=2
M  V30 14 O 2.598 -2.25 0.0 0
M  V30 15 N 1.299 0.0 0.0 0
M  V30 16 C 0.0 -0.75 0.0 0
M  V30 17 C -1.4488 -0.3617 0.0 0
M  V30 18 C -0.3882 -2.1988 0.0 0
M  V30 19 C 1.19 -1.6631 0.0 0
M  V30 20 C -1.8371 -1.8106 0.0 0
M  V30 21 F -3.337 -1.8106 0.0 0
M  V30 22 F -2.587 -3.1096 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 13 10
M  V30 13 1 13 14 CFG=3
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 1 6 8
M  V30 23 2 10 12
M  V30 24 1 18 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000874858247

>  <name>
NA

>  <smiles>
CC1(CC(F)(F)C1)NC(O)c1cc(=O)[nH]c2cc(F)ccc12

$$$$
ZINC001419290374
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.9535 -5.5157 0.0 0
M  V30 2 C 5.032 -4.0178 0.0 0
M  V30 3 N 6.3685 -3.3368 0.0 0
M  V30 4 C 3.774 -3.2008 0.0 0
M  V30 5 C 6.447 -1.8389 0.0 0
M  V30 6 C 3.8525 -1.7029 0.0 0 CFG=2
M  V30 7 C 5.189 -1.0219 0.0 0
M  V30 8 C 2.5945 -0.8859 0.0 0
M  V30 9 O 2.673 0.6119 0.0 0
M  V30 10 N 1.258 -1.5669 0.0 0
M  V30 11 C 0.0 -0.75 0.0 0
M  V30 12 C -1.3703 -0.1398 0.0 0
M  V30 13 C -0.1567 -2.2417 0.0 0
M  V30 14 C 1.299 0.0 0.0 0
M  V30 15 C -2.374 -1.2546 0.0 0
M  V30 16 C -1.624 -2.5536 0.0 0
M  V30 17 N 1.299 1.4999 0.0 0
M  V30 18 C 2.598 2.2499 0.0 0
M  V30 19 C 2.598 3.75 0.0 0
M  V30 20 C 1.3845 4.6316 0.0 0
M  V30 21 C 3.8116 4.6316 0.0 0
M  V30 22 N 1.848 6.0582 0.0 0
M  V30 23 C -0.042 4.1681 0.0 0
M  V30 24 O 3.348 6.0582 0.0 0
M  V30 25 C -1.1567 5.1718 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 1 5 7
M  V30 7 1 6 8 CFG=1
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 21 24
M  V30 24 1 23 25
M  V30 25 1 6 7
M  V30 26 1 15 16
M  V30 27 1 22 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001419290374

>  <name>
NA

>  <smiles>
CCc1nocc1CNCC1(CCCC1)NC(=O)C1CCNC(=O)C1

$$$$
ZINC000621263437
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 -0.5 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 N 6.0621 0.9999 0.0 0
M  V30 4 C 5.1961 -0.4999 0.0 0
M  V30 5 N 6.8053 1.6691 0.0 0
M  V30 6 C 5.1961 1.4999 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 6.3985 2.5826 0.0 0
M  V30 9 N 5.404 2.4781 0.0 0
M  V30 10 N 4.3301 1.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 6.8985 3.4487 0.0 0
M  V30 13 N 2.598 0.0 0.0 0
M  V30 14 C 1.732 -0.5 0.0 0 CFG=2
M  V30 15 C 1.732 -1.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 0.866 -1.9999 0.0 0
M  V30 18 C 2.598 -1.9999 0.0 0
M  V30 19 C 0.866 1.0 0.0 0
M  V30 20 C 0.0 -0.5 0.0 0
M  V30 21 C 0.866 -2.9999 0.0 0
M  V30 22 C 2.598 -2.9999 0.0 0
M  V30 23 C 1.732 -3.4999 0.0 0
M  V30 24 C 1.732 -4.5 0.0 0
M  V30 25 C 2.598 -4.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13 CFG=3
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 16 20
M  V30 20 1 17 21
M  V30 21 2 18 22
M  V30 22 2 21 23
M  V30 23 1 23 24
M  V30 24 1 24 25
M  V30 25 1 7 10
M  V30 26 1 8 9
M  V30 27 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000621263437

>  <name>
NA

>  <smiles>
CCc1ccc(cc1)C(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)C(C)C

$$$$
ZINC001496543744
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 8.6602 -0.5 0.0 0
M  V30 2 C 7.7942 0.0 0.0 0
M  V30 3 N 7.7942 0.9999 0.0 0
M  V30 4 C 6.9282 -0.5 0.0 0
M  V30 5 C 6.9282 1.4999 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 6.0621 1.0 0.0 0
M  V30 8 C 5.1961 -0.5 0.0 0
M  V30 9 O 5.1961 -1.4999 0.0 0
M  V30 10 N 4.3301 0.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 2.598 1.0 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 C 3.4641 1.4999 0.0 0
M  V30 17 C 1.732 1.5 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 C -0.866 0.0 0.0 0
M  V30 20 C 0.0 -1.4999 0.0 0
M  V30 21 C -1.732 -0.4999 0.0 0
M  V30 22 C -0.866 -1.9999 0.0 0
M  V30 23 C -1.732 -1.4999 0.0 0
M  V30 24 C -2.598 -1.9999 0.0 0
M  V30 25 O -2.598 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 2 21 23
M  V30 23 1 23 24
M  V30 24 1 24 25
M  V30 25 1 6 7
M  V30 26 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001496543744

>  <name>
NA

>  <smiles>
CC(C)C(CNC(=O)C1CCNC(=O)C1)NCc1ccc(CO)cc1

$$$$
ZINC001490937256
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.0223 0.9205 0.0 0
M  V30 2 C 3.6915 1.6636 0.0 0
M  V30 3 F 2.9483 2.3327 0.0 0
M  V30 4 F 4.3606 2.4067 0.0 0
M  V30 5 C 4.4346 0.9945 0.0 0
M  V30 6 C 4.3301 0.0 0.0 0
M  V30 7 C 5.4128 1.2024 0.0 0
M  V30 8 N 3.4641 -0.5 0.0 0
M  V30 9 C 5.2436 -0.4067 0.0 0
M  V30 10 N 5.9128 0.3364 0.0 0
M  V30 11 C 3.4641 -1.5 0.0 0
M  V30 12 C 6.9073 0.2318 0.0 0
M  V30 13 O 4.3301 -2.0 0.0 0
M  V30 14 C 2.598 -1.9999 0.0 0
M  V30 15 O 7.314 -0.6816 0.0 0
M  V30 16 C 7.4951 1.0408 0.0 0
M  V30 17 C 2.598 -2.9999 0.0 0
M  V30 18 C 8.4896 0.9363 0.0 0
M  V30 19 C 7.0883 1.9544 0.0 0
M  V30 20 O 3.4641 -3.5 0.0 0
M  V30 21 N 1.732 -3.5 0.0 0
M  V30 22 C 9.0774 1.7453 0.0 0
M  V30 23 C 7.6761 2.7634 0.0 0
M  V30 24 O 10.0719 1.6408 0.0 0
M  V30 25 N 8.6706 2.6589 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 1 8 11
M  V30 11 1 10 12
M  V30 12 2 11 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 14 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 17 21
M  V30 21 1 18 22
M  V30 22 2 19 23
M  V30 23 2 22 24
M  V30 24 1 22 25
M  V30 25 1 9 10
M  V30 26 1 23 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001490937256

>  <name>
NA

>  <smiles>
NC(=O)CC(=O)NC1CN(CC1C(F)(F)F)C(=O)c1cc[nH]c(=O)c1

$$$$
ZINC000622192167
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.7821 -2.1416 0.0 0
M  V30 2 C 3.1734 -2.935 0.0 0
M  V30 3 F 3.9667 -3.5438 0.0 0
M  V30 4 F 2.5646 -3.7283 0.0 0
M  V30 5 C 2.38 -2.3262 0.0 0
M  V30 6 C 2.5105 -1.3348 0.0 0
M  V30 7 C 1.4561 -2.7089 0.0 0
M  V30 8 C 1.7172 -0.726 0.0 0
M  V30 9 C 0.6628 -2.1002 0.0 0
M  V30 10 C 0.7933 -1.1087 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 N 0.866 0.0 0.0 0
M  V30 13 C -0.9659 -0.2411 0.0 0
M  V30 14 C -0.2588 -1.4659 0.0 0
M  V30 15 C 0.866 0.9999 0.0 0
M  V30 16 C -1.2247 -1.2071 0.0 0
M  V30 17 O 0.0 1.5 0.0 0
M  V30 18 C 1.732 1.4999 0.0 0
M  V30 19 C 1.732 2.4999 0.0 0 CFG=2
M  V30 20 N 0.866 3.0 0.0 0
M  V30 21 C 2.598 2.9999 0.0 0
M  V30 22 C 0.866 3.9999 0.0 0
M  V30 23 C 2.598 3.9999 0.0 0
M  V30 24 O 0.0 4.4999 0.0 0
M  V30 25 C 1.732 4.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 19 18 CFG=3
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 1 22 25
M  V30 25 1 9 10
M  V30 26 1 14 16
M  V30 27 1 23 25
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 19)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000622192167

>  <name>
NA

>  <smiles>
FC(F)(F)c1ccc(cc1)C1(CCC1)NC(=O)CC1CCCC(=O)N1

$$$$
ZINC000527019921
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 7.7942 2.25 0.0 0
M  V30 2 C 6.4951 1.5 0.0 0
M  V30 3 C 5.1961 2.25 0.0 0
M  V30 4 C 6.4951 0.0 0.0 0
M  V30 5 C 3.8971 1.5 0.0 0
M  V30 6 C 5.1961 -0.7499 0.0 0
M  V30 7 C 3.8971 0.0 0.0 0
M  V30 8 C 2.598 2.2499 0.0 0
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 2.4412 3.7417 0.0 0
M  V30 11 C 1.2277 1.6398 0.0 0
M  V30 12 C 2.598 -2.25 0.0 0
M  V30 13 N 0.974 4.0536 0.0 0
M  V30 14 N 0.224 2.7546 0.0 0
M  V30 15 O 3.8971 -3.0 0.0 0
M  V30 16 C 1.299 -3.0 0.0 0
M  V30 17 C -1.2677 2.5978 0.0 0
M  V30 18 C 1.299 -4.5 0.0 0
M  V30 19 C 0.0 -2.25 0.0 0
M  V30 20 C 0.0 -5.25 0.0 0
M  V30 21 C -1.299 -3.0 0.0 0
M  V30 22 O 0.0 -6.75 0.0 0
M  V30 23 N -1.299 -4.5 0.0 0
M  V30 24 C -2.598 -2.25 0.0 0
M  V30 25 C -2.598 -0.75 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 8 11
M  V30 11 1 9 12
M  V30 12 2 10 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 14 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 21 24
M  V30 24 1 24 25
M  V30 25 1 6 7
M  V30 26 1 13 14
M  V30 27 1 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000527019921

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)Nc1ccc(F)cc1-c1cnn(C)c1

$$$$
ZINC000621311977
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl -3.1632 3.3723 0.0 0
M  V30 2 C -1.7773 2.7983 0.0 0
M  V30 3 C -1.5816 1.3111 0.0 0
M  V30 4 C -0.5873 3.7115 0.0 0
M  V30 5 C -0.1957 0.7371 0.0 0
M  V30 6 C 0.7984 3.1374 0.0 0
M  V30 7 C 0.9942 1.6503 0.0 0
M  V30 8 C 0.0 -0.75 0.0 0
M  V30 9 N 1.299 0.0 0.0 0
M  V30 10 C -0.3882 -2.1988 0.0 0
M  V30 11 C -1.4488 -0.3617 0.0 0
M  V30 12 C 2.598 -0.75 0.0 0
M  V30 13 C -1.8371 -1.8106 0.0 0
M  V30 14 C 3.8971 0.0 0.0 0
M  V30 15 N 5.1961 -0.75 0.0 0
M  V30 16 C 3.8971 1.4999 0.0 0
M  V30 17 C 6.4951 0.0 0.0 0
M  V30 18 C 5.1961 2.25 0.0 0
M  V30 19 N 7.9217 -0.4635 0.0 0
M  V30 20 N 6.4951 1.5 0.0 0
M  V30 21 O 5.1961 3.75 0.0 0
M  V30 22 C 8.8034 0.75 0.0 0
M  V30 23 N 7.9217 1.9635 0.0 0
M  V30 24 N 10.3034 0.75 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 2 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 22 24
M  V30 24 1 6 7
M  V30 25 1 11 13
M  V30 26 1 18 20
M  V30 27 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000621311977

>  <name>
NA

>  <smiles>
Clc1cccc(c1)C1(CCC1)NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC000055656943
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.0621 -2.0 0.0 0
M  V30 2 C 5.1961 -1.5 0.0 0
M  V30 3 C 5.1961 -0.5 0.0 0
M  V30 4 C 4.3301 -1.9999 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0
M  V30 6 C 3.4641 -1.4999 0.0 0
M  V30 7 N 4.3301 0.9999 0.0 0
M  V30 8 C 3.4641 -0.4999 0.0 0
M  V30 9 C 3.4641 1.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 O 3.4641 2.5 0.0 0
M  V30 12 C 2.598 0.9999 0.0 0
M  V30 13 C 1.732 -0.5 0.0 0
M  V30 14 O 1.732 -1.5 0.0 0
M  V30 15 N 0.866 0.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 C -0.9135 -0.0932 0.0 0
M  V30 18 C -0.1045 -1.4945 0.0 0
M  V30 19 C -1.5826 -0.8364 0.0 0
M  V30 20 C -1.2225 0.8577 0.0 0
M  V30 21 C -1.0826 -1.7024 0.0 0
M  V30 22 C -2.5608 -0.6284 0.0 0
M  V30 23 C -2.2007 1.0657 0.0 0
M  V30 24 C -2.8698 0.3225 0.0 0
M  V30 25 F -3.8479 0.5304 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 2 22 24
M  V30 24 1 24 25
M  V30 25 1 6 8
M  V30 26 2 10 12
M  V30 27 1 19 21
M  V30 28 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000055656943

>  <name>
NA

>  <smiles>
OC(NC1CCc2cc(F)ccc12)c1cc(=O)[nH]c2cc(F)ccc12

$$$$
ZINC001642377696
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 1.299 1.4999 0.0 0
M  V30 2 C 2.598 2.2499 0.0 0
M  V30 3 C 3.8971 1.5 0.0 0
M  V30 4 C 2.598 3.7499 0.0 0
M  V30 5 C 5.1961 2.25 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0 CFG=1
M  V30 7 C 3.8971 4.5 0.0 0
M  V30 8 F 6.4951 1.5 0.0 0
M  V30 9 C 5.1961 3.75 0.0 0
M  V30 10 N 2.598 -0.75 0.0 0
M  V30 11 C 5.1961 -0.75 0.0 0
M  V30 12 C 1.299 0.0 0.0 0
M  V30 13 O 6.4951 0.0 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 N -1.299 0.0 0.0 0
M  V30 16 C 0.0 -2.2499 0.0 0
M  V30 17 C -2.598 -0.7499 0.0 0
M  V30 18 C -1.299 -2.9999 0.0 0
M  V30 19 N -4.0246 -0.2864 0.0 0
M  V30 20 N -2.598 -2.2499 0.0 0
M  V30 21 O -1.299 -4.4999 0.0 0
M  V30 22 C -4.9063 -1.4999 0.0 0
M  V30 23 N -4.0246 -2.7135 0.0 0
M  V30 24 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 3
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 5 9
M  V30 9 1 6 10 CFG=3
M  V30 10 1 6 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 2 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 22 24
M  V30 24 1 7 9
M  V30 25 1 18 20
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001642377696

>  <name>
NA

>  <smiles>
OCC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1c(F)cccc1F

$$$$
ZINC001362453196
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.4641 -1.5 0.0 0
M  V30 2 C 3.4641 -1.5 0.0 0
M  V30 3 F 3.4641 -2.4999 0.0 0
M  V30 4 F 4.4641 -1.5 0.0 0
M  V30 5 C 3.4641 -0.5 0.0 0
M  V30 6 C 2.598 0.0 0.0 0
M  V30 7 N 1.732 -0.5 0.0 0
M  V30 8 C 2.598 1.0 0.0 0
M  V30 9 C 0.866 0.0 0.0 0
M  V30 10 C 3.4641 1.5 0.0 0
M  V30 11 C 1.732 1.4999 0.0 0
M  V30 12 O 0.866 1.0 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0
M  V30 14 C 3.4641 2.5 0.0 0
M  V30 15 C 1.732 2.5 0.0 0
M  V30 16 C -0.866 0.0 0.0 0
M  V30 17 C 0.0 -1.4999 0.0 0
M  V30 18 C 2.598 3.0 0.0 0
M  V30 19 C -1.732 -0.4999 0.0 0
M  V30 20 C -0.866 -1.9999 0.0 0
M  V30 21 C 2.598 4.0 0.0 0
M  V30 22 O -2.598 0.0 0.0 0
M  V30 23 N -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 5 6
M  V30 6 1 6 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 2 9 12
M  V30 12 1 9 13
M  V30 13 1 10 14
M  V30 14 2 11 15
M  V30 15 1 13 16
M  V30 16 1 13 17
M  V30 17 2 14 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 1 19 23
M  V30 23 1 15 18
M  V30 24 1 20 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001362453196

>  <name>
NA

>  <smiles>
Cc1ccc(cc1)C(CC(F)(F)F)NC(=O)C1CCNC(=O)C1

$$$$
ZINC000181581226
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl -0.314 5.2417 0.0 0
M  V30 2 C -0.2355 3.7438 0.0 0
M  V30 3 C 1.1009 3.0628 0.0 0
M  V30 4 C -1.4935 2.9268 0.0 0
M  V30 5 C 1.1795 1.5649 0.0 0
M  V30 6 C -1.415 1.4289 0.0 0
M  V30 7 C -0.0785 0.7479 0.0 0
M  V30 8 C 0.0 -0.75 0.0 0
M  V30 9 N 1.299 0.0 0.0 0
M  V30 10 C -0.1567 -2.2417 0.0 0
M  V30 11 C -1.3703 -0.1398 0.0 0
M  V30 12 C 2.598 -0.75 0.0 0
M  V30 13 C -1.624 -2.5536 0.0 0
M  V30 14 C -2.374 -1.2546 0.0 0
M  V30 15 O 3.8971 0.0 0.0 0
M  V30 16 C 2.598 -2.25 0.0 0
M  V30 17 C 1.299 -3.0 0.0 0
M  V30 18 C 3.8971 -2.9999 0.0 0
M  V30 19 C 1.299 -4.5 0.0 0
M  V30 20 C 3.8971 -4.4999 0.0 0
M  V30 21 O 0.0 -5.25 0.0 0
M  V30 22 N 2.598 -5.25 0.0 0
M  V30 23 C 5.1961 -5.2499 0.0 0
M  V30 24 C 6.4951 -4.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 6 7
M  V30 25 1 13 14
M  V30 26 1 20 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000181581226

>  <name>
NA

>  <smiles>
CCc1cc(cc(=O)[nH]1)C(=O)NC1(CCCC1)c1ccc(Cl)cc1

$$$$
ZINC000621273102
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 -0.5 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 N 6.0621 0.9999 0.0 0
M  V30 4 C 5.1961 -0.4999 0.0 0
M  V30 5 N 6.8053 1.6691 0.0 0
M  V30 6 C 5.1961 1.4999 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 6.3985 2.5826 0.0 0
M  V30 9 N 5.404 2.4781 0.0 0
M  V30 10 N 4.3301 1.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 6.8985 3.4487 0.0 0
M  V30 13 N 2.598 0.0 0.0 0
M  V30 14 C 1.732 -0.5 0.0 0 CFG=2
M  V30 15 C 1.732 -1.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 0.866 -1.9999 0.0 0
M  V30 18 C 2.598 -1.9999 0.0 0
M  V30 19 C 0.866 1.0 0.0 0
M  V30 20 C 0.0 -0.5 0.0 0
M  V30 21 C 0.866 -2.9999 0.0 0
M  V30 22 C 2.598 -2.9999 0.0 0
M  V30 23 C 1.732 -3.4999 0.0 0
M  V30 24 O 1.732 -4.5 0.0 0
M  V30 25 C 2.598 -4.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13 CFG=3
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 16 20
M  V30 20 1 17 21
M  V30 21 2 18 22
M  V30 22 2 21 23
M  V30 23 1 23 24
M  V30 24 1 24 25
M  V30 25 1 7 10
M  V30 26 1 8 9
M  V30 27 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000621273102

>  <name>
NA

>  <smiles>
COc1ccc(cc1)C(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)C(C)C

$$$$
ZINC000818609813
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 4.3301 -4.9999 0.0 0
M  V30 2 C 3.4641 -4.5 0.0 0
M  V30 3 C 3.4641 -3.5 0.0 0
M  V30 4 C 2.598 -5.0 0.0 0
M  V30 5 C 2.598 -3.0 0.0 0
M  V30 6 C 1.732 -4.4999 0.0 0
M  V30 7 C 1.732 -3.5 0.0 0
M  V30 8 C 2.598 -2.0 0.0 0
M  V30 9 O 3.4641 -1.5 0.0 0
M  V30 10 C 1.732 -1.5 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 2.598 1.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 C -1.732 -1.4999 0.0 0
M  V30 23 C -2.598 0.0 0.0 0
M  V30 24 N -3.4641 -0.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 6 7
M  V30 25 1 12 13
M  V30 26 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000818609813

>  <name>
NA

>  <smiles>
CC1COC(CN1C(=O)c1cccc(CN)c1)c1cccc(Cl)c1

$$$$
ZINC000849908203
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.0621 -4.9999 0.0 0
M  V30 2 C 5.1961 -4.5 0.0 0
M  V30 3 C 5.1961 -3.4999 0.0 0
M  V30 4 C 4.3301 -5.0 0.0 0
M  V30 5 C 4.3301 -2.9999 0.0 0
M  V30 6 C 3.4641 -4.5 0.0 0
M  V30 7 N 4.3301 -2.0 0.0 0
M  V30 8 C 3.4641 -3.5 0.0 0
M  V30 9 C 5.1961 -1.5 0.0 0
M  V30 10 C 3.4641 -1.5 0.0 0
M  V30 11 O 6.0621 -2.0 0.0 0
M  V30 12 C 5.1961 -0.5 0.0 0
M  V30 13 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 14 C 4.3301 0.0 0.0 0
M  V30 15 C 2.598 0.0 0.0 0
M  V30 16 O 2.598 1.0 0.0 0
M  V30 17 O 1.732 -0.5 0.0 0
M  V30 18 C 0.866 0.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 N -0.9135 -0.0932 0.0 0
M  V30 21 N -0.1045 -1.4945 0.0 0
M  V30 22 C -1.5826 -0.8364 0.0 0
M  V30 23 N -1.0826 -1.7024 0.0 0
M  V30 24 C -2.5771 -0.7318 0.0 0
M  V30 25 C -3.1649 -1.5408 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 13 10
M  V30 13 1 12 14
M  V30 14 1 13 15 CFG=1
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 24 25
M  V30 25 1 6 8
M  V30 26 1 13 14
M  V30 27 2 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000849908203

>  <name>
NA

>  <smiles>
CCc1n[nH]c(COC(=O)C2CCC(=O)N(C2)c2cccc(F)c2)n1

$$$$
ZINC001454543974
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 8.6602 -0.5 0.0 0
M  V30 2 C 7.7942 0.0 0.0 0
M  V30 3 N 6.9282 -0.5 0.0 0
M  V30 4 C 7.7942 0.9999 0.0 0
M  V30 5 C 6.0621 0.0 0.0 0
M  V30 6 O 8.6032 1.5877 0.0 0
M  V30 7 C 6.9852 1.5877 0.0 0
M  V30 8 C 5.1961 -0.5 0.0 0
M  V30 9 C 8.2942 2.5388 0.0 0
M  V30 10 C 7.2942 2.5388 0.0 0
M  V30 11 N 4.3301 0.0 0.0 0
M  V30 12 C 5.1961 -1.4999 0.0 0
M  V30 13 C 3.4641 -0.5 0.0 0
M  V30 14 O 3.4641 -1.5 0.0 0
M  V30 15 C 2.598 0.0 0.0 0
M  V30 16 N 1.732 -0.5 0.0 0
M  V30 17 C 2.598 1.0 0.0 0
M  V30 18 C 1.732 -1.5 0.0 0
M  V30 19 C 1.732 1.5 0.0 0
M  V30 20 O 2.598 -2.0 0.0 0
M  V30 21 C 0.866 -2.0 0.0 0
M  V30 22 N 1.6275 2.4945 0.0 0
M  V30 23 C 0.8185 1.0932 0.0 0
M  V30 24 C 0.6493 2.7024 0.0 0
M  V30 25 N 0.1493 1.8364 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 1 8 11
M  V30 11 1 8 12
M  V30 12 1 11 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 19 23
M  V30 23 2 22 24
M  V30 24 1 23 25
M  V30 25 2 9 10
M  V30 26 1 24 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001454543974

>  <name>
NA

>  <smiles>
CC(CNC(=O)c1ccco1)NC(=O)C(Cc1c[nH]cn1)NC(C)=O

$$$$
ZINC000680443816
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 3.9999 0.0 0
M  V30 2 C 2.598 2.9999 0.0 0
M  V30 3 N 3.4641 2.4999 0.0 0
M  V30 4 C 1.732 2.4999 0.0 0
M  V30 5 C 3.4641 1.4999 0.0 0
M  V30 6 C 1.732 1.4999 0.0 0
M  V30 7 C 2.598 0.9999 0.0 0
M  V30 8 C 4.3301 0.9999 0.0 0
M  V30 9 C 0.866 0.9999 0.0 0
M  V30 10 O 0.0 1.5 0.0 0
M  V30 11 N 0.866 0.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C 0.8386 -1.0446 0.0 0
M  V30 14 C -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 N 0.891 -2.0432 0.0 0
M  V30 17 N 1.7722 -0.6862 0.0 0
M  V30 18 C -1.5826 -0.8364 0.0 0
M  V30 19 C -1.0826 -1.7024 0.0 0
M  V30 20 O 1.8569 -2.302 0.0 0
M  V30 21 C 2.4015 -1.4634 0.0 0
M  V30 22 C 3.4002 -1.411 0.0 0
M  V30 23 C 3.9448 -2.2497 0.0 0
M  V30 24 C 3.8541 -0.52 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 2 17 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 22 24
M  V30 24 1 6 7
M  V30 25 1 18 19
M  V30 26 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000680443816

>  <name>
NA

>  <smiles>
CC(C)c1nc(no1)C1(CCCC1)NC(=O)C1CC(C)NC(=O)C1

$$$$
ZINC000420350771
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 7.6713 -2.1691 0.0 0
M  V30 2 C 6.9282 -1.5 0.0 0
M  V30 3 C 7.2646 -3.0826 0.0 0
M  V30 4 C 6.9282 -0.5 0.0 0
M  V30 5 C 6.0621 -2.0 0.0 0
M  V30 6 C 7.7646 -3.9487 0.0 0
M  V30 7 C 6.27 -2.9781 0.0 0
M  V30 8 O 7.7942 0.0 0.0 0
M  V30 9 N 6.0621 0.0 0.0 0
M  V30 10 N 5.1961 -1.5 0.0 0
M  V30 11 C 7.2646 -4.8147 0.0 0
M  V30 12 C 8.7646 -3.9487 0.0 0
M  V30 13 C 5.1961 -0.5 0.0 0
M  V30 14 C 7.7646 -5.6807 0.0 0
M  V30 15 C 9.2646 -4.8147 0.0 0
M  V30 16 C 4.3301 0.0 0.0 0
M  V30 17 C 8.7646 -5.6807 0.0 0
M  V30 18 N 3.4641 -0.5 0.0 0
M  V30 19 F 9.2646 -6.5467 0.0 0
M  V30 20 C 2.598 0.0 0.0 0
M  V30 21 C 3.4641 -1.5 0.0 0
M  V30 22 C 1.732 -0.5 0.0 0 CFG=1
M  V30 23 O 1.732 -1.5 0.0 0
M  V30 24 C 0.866 0.0 0.0 0
M  V30 25 N 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 2 4
M  V30 4 2 2 5
M  V30 5 1 3 6
M  V30 6 2 3 7
M  V30 7 2 4 8
M  V30 8 1 4 9
M  V30 9 1 5 10
M  V30 10 2 6 11
M  V30 11 1 6 12
M  V30 12 2 9 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 1 22 20
M  V30 22 1 22 23 CFG=1
M  V30 23 1 22 24
M  V30 24 1 24 25
M  V30 25 1 5 7
M  V30 26 1 10 13
M  V30 27 1 15 17
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 22)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000420350771

>  <name>
NA

>  <smiles>
CN(CC(O)CN)Cc1nc(=O)c2sc(cc2[nH]1)-c1ccc(F)cc1

$$$$
ZINC001362867769
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 7.7942 -3.0 0.0 0
M  V30 2 C 7.7942 -2.0 0.0 0
M  V30 3 C 8.6602 -1.5 0.0 0
M  V30 4 C 6.9282 -1.4999 0.0 0
M  V30 5 O 9.5262 -2.0 0.0 0
M  V30 6 C 8.6602 -0.5 0.0 0
M  V30 7 C 6.9282 -0.5 0.0 0
M  V30 8 C 7.7942 0.0 0.0 0
M  V30 9 C 6.0621 0.0 0.0 0
M  V30 10 C 5.1961 -0.5 0.0 0
M  V30 11 O 5.1961 -1.4999 0.0 0
M  V30 12 N 4.3301 0.0 0.0 0
M  V30 13 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 C 3.4641 -1.5 0.0 0
M  V30 16 O 1.732 -0.5 0.0 0
M  V30 17 C 2.598 -2.0 0.0 0
M  V30 18 C 0.866 0.0 0.0 0
M  V30 19 C 2.598 -3.0 0.0 0
M  V30 20 C 1.732 -1.5 0.0 0
M  V30 21 O 0.866 1.0 0.0 0
M  V30 22 N 0.0 -0.5 0.0 0
M  V30 23 C 1.732 -3.5 0.0 0
M  V30 24 C 0.866 -1.9999 0.0 0
M  V30 25 C 0.866 -3.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 6 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 13 12 CFG=1
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 18 22
M  V30 22 1 19 23
M  V30 23 2 20 24
M  V30 24 2 23 25
M  V30 25 1 7 8
M  V30 26 1 24 25
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001362867769

>  <name>
NA

>  <smiles>
NC(=O)OCC(Cc1ccccc1)NC(=O)Cc1ccc(O)c(F)c1

$$$$
ZINC000680350345
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.38 1.0762 0.0 0
M  V30 2 C 0.9942 1.6503 0.0 0
M  V30 3 C -0.1957 0.7371 0.0 0
M  V30 4 C 0.7984 3.1374 0.0 0
M  V30 5 C -1.5816 1.3111 0.0 0
M  V30 6 C 0.0 -0.75 0.0 0
M  V30 7 C -0.5873 3.7115 0.0 0
M  V30 8 C -1.7773 2.7983 0.0 0
M  V30 9 N 1.299 0.0 0.0 0
M  V30 10 C -0.3882 -2.1988 0.0 0
M  V30 11 C -1.4488 -0.3617 0.0 0
M  V30 12 F -0.7831 5.1986 0.0 0
M  V30 13 C 2.598 -0.75 0.0 0
M  V30 14 C -1.8371 -1.8106 0.0 0
M  V30 15 O 3.8971 0.0 0.0 0
M  V30 16 C 2.598 -2.25 0.0 0
M  V30 17 C 1.299 -3.0 0.0 0
M  V30 18 C 3.8971 -2.9999 0.0 0
M  V30 19 C 1.299 -4.5 0.0 0
M  V30 20 C 3.8971 -4.4999 0.0 0
M  V30 21 O 0.0 -5.25 0.0 0
M  V30 22 N 2.598 -5.25 0.0 0
M  V30 23 C 5.1961 -5.2499 0.0 0
M  V30 24 C 6.4951 -4.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 6 11
M  V30 11 1 7 12
M  V30 12 1 9 13
M  V30 13 1 10 14
M  V30 14 2 13 15
M  V30 15 1 13 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 7 8
M  V30 25 1 11 14
M  V30 26 1 20 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000680350345

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CCC1)c1ccc(F)cc1F

$$$$
ZINC001414848473
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.5515 2.1159 0.0 0
M  V30 2 C 7.1448 1.2024 0.0 0
M  V30 3 N 6.1667 0.9945 0.0 0
M  V30 4 N 7.6448 0.3364 0.0 0
M  V30 5 C 6.0621 0.0 0.0 0
M  V30 6 C 6.9757 -0.4067 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 O 5.1961 -1.4999 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 3.4641 -1.5 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 C 2.9641 -2.366 0.0 0
M  V30 14 C 3.9641 -2.366 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 O 0.866 1.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 N -0.9135 -0.0932 0.0 0
M  V30 20 C -0.1045 -1.4945 0.0 0
M  V30 21 C -1.5826 -0.8364 0.0 0
M  V30 22 C -1.0826 -1.7024 0.0 0
M  V30 23 C -1.4894 -2.6159 0.0 0
M  V30 24 N -1.8961 -3.5295 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 15 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 2 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 22 23
M  V30 23 3 23 24
M  V30 24 2 5 6
M  V30 25 1 13 14
M  V30 26 2 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001414848473

>  <name>
NA

>  <smiles>
OC(NC(CNC(=O)c1cc(c[nH]1)C#N)C1CC1)c1c[nH]c(=O)[nH]1

$$$$
ZINC001580340949
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.763 1.0408 0.0 0
M  V30 2 C 5.1752 0.2318 0.0 0
M  V30 3 N 4.1807 0.3364 0.0 0
M  V30 4 C 5.582 -0.6816 0.0 0
M  V30 5 C 3.6807 1.2024 0.0 0
M  V30 6 C 3.5116 -0.4067 0.0 0
M  V30 7 N 5.082 -1.5476 0.0 0
M  V30 8 C 6.5601 -0.8895 0.0 0
M  V30 9 C 2.7026 0.9945 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 C 5.7511 -2.2908 0.0 0
M  V30 12 N 6.6646 -1.884 0.0 0
M  V30 13 C 1.9594 1.6636 0.0 0
M  V30 14 C 1.732 -0.5 0.0 0
M  V30 15 C 5.6466 -3.2853 0.0 0
M  V30 16 C 7.4737 -2.4718 0.0 0
M  V30 17 O 1.0084 1.3546 0.0 0
M  V30 18 C 0.866 0.0 0.0 0
M  V30 19 C 6.4556 -3.8731 0.0 0
M  V30 20 C 7.3691 -3.4664 0.0 0
M  V30 21 O 0.0 -0.5 0.0 0
M  V30 22 C 8.1781 -4.0541 0.0 0
M  V30 23 N 9.0917 -3.6474 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 2 4 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 2 7 11
M  V30 11 1 8 12
M  V30 12 1 9 13
M  V30 13 1 10 14
M  V30 14 1 11 15
M  V30 15 1 12 16
M  V30 16 1 13 17
M  V30 17 1 14 18
M  V30 18 2 15 19
M  V30 19 2 16 20
M  V30 20 1 18 21
M  V30 21 1 20 22
M  V30 22 1 22 23
M  V30 23 1 9 10
M  V30 24 1 11 12
M  V30 25 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001580340949

>  <name>
NA

>  <smiles>
NCc1ccc2nc(cn2c1)C(=O)N1CC(CO)C(CCO)C1

$$$$
ZINC000680348835
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 0.7248 1.1279 0.0 0
M  V30 2 C -0.0523 0.4986 0.0 0
M  V30 3 C 0.3664 2.0615 0.0 0
M  V30 4 N -0.891 1.0432 0.0 0
M  V30 5 C 0.0 -0.5 0.0 0
M  V30 6 C -0.6321 2.0091 0.0 0
M  V30 7 N 0.866 0.0 0.0 0
M  V30 8 C -0.1045 -1.4945 0.0 0
M  V30 9 C -0.9135 -0.0932 0.0 0
M  V30 10 C 1.732 -0.5 0.0 0
M  V30 11 C -1.0826 -1.7024 0.0 0
M  V30 12 C -1.5826 -0.8364 0.0 0
M  V30 13 O 2.598 0.0 0.0 0
M  V30 14 C 1.732 -1.5 0.0 0
M  V30 15 C 0.866 -2.0 0.0 0
M  V30 16 C 2.598 -1.9999 0.0 0
M  V30 17 C 0.866 -3.0 0.0 0
M  V30 18 C 2.598 -2.9999 0.0 0
M  V30 19 O 0.0 -3.5 0.0 0
M  V30 20 N 1.732 -3.5 0.0 0
M  V30 21 C 3.4641 -3.4999 0.0 0
M  V30 22 C 4.3301 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 2 10 13
M  V30 13 1 10 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 21 22
M  V30 22 1 4 6
M  V30 23 1 11 12
M  V30 24 1 18 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000680348835

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1nccs1

$$$$
ZINC000843665857
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 1.3256 2.7004 0.0 0
M  V30 2 C 0.5323 2.0916 0.0 0
M  V30 3 C 0.6628 1.1002 0.0 0
M  V30 4 C -0.3915 2.4743 0.0 0
M  V30 5 C -0.1305 0.4914 0.0 0
M  V30 6 C -1.1849 1.8655 0.0 0
M  V30 7 C -1.0544 0.8741 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.2588 -1.4659 0.0 0
M  V30 11 C -0.9659 -0.2411 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 C -1.2247 -1.2071 0.0 0
M  V30 14 O 2.598 0.0 0.0 0
M  V30 15 C 1.732 -1.5 0.0 0
M  V30 16 C 2.598 -1.9999 0.0 0
M  V30 17 C 0.866 -2.0 0.0 0
M  V30 18 O 3.4641 -1.4999 0.0 0
M  V30 19 N 2.598 -2.9999 0.0 0
M  V30 20 N 0.866 -3.0 0.0 0
M  V30 21 C 1.732 -3.5 0.0 0
M  V30 22 C 3.4641 -3.4999 0.0 0
M  V30 23 C 0.0 -3.5 0.0 0
M  V30 24 O 1.732 -4.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 15 16
M  V30 16 2 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 19 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 21 24
M  V30 24 1 6 7
M  V30 25 1 11 13
M  V30 26 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000843665857

>  <name>
NA

>  <smiles>
Cn1cc(C(=O)NC2(CCC2)c2cccc(F)c2)c(=O)n(C)c1=O

$$$$
ZINC000155254277
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 3.9999 0.0 0
M  V30 2 C 2.598 2.9999 0.0 0
M  V30 3 N 3.4641 2.4999 0.0 0
M  V30 4 C 1.732 2.4999 0.0 0
M  V30 5 C 3.4641 1.4999 0.0 0
M  V30 6 C 1.732 1.4999 0.0 0 CFG=2
M  V30 7 C 2.598 0.9999 0.0 0
M  V30 8 C 0.866 0.9999 0.0 0
M  V30 9 O 0.0 1.5 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C 0.8386 -1.0446 0.0 0
M  V30 13 C -0.9135 -0.0932 0.0 0
M  V30 14 C -0.1045 -1.4945 0.0 0
M  V30 15 C 0.7863 -2.0432 0.0 0
M  V30 16 C 1.7296 -0.5906 0.0 0
M  V30 17 C -1.5826 -0.8364 0.0 0
M  V30 18 C -1.0826 -1.7024 0.0 0
M  V30 19 C 1.625 -2.5879 0.0 0
M  V30 20 C 2.5683 -1.1352 0.0 0
M  V30 21 C 2.516 -2.1339 0.0 0
M  V30 22 C 3.3546 -2.6785 0.0 0
M  V30 23 C 3.8993 -1.8398 0.0 0
M  V30 24 C 4.1933 -3.2231 0.0 0
M  V30 25 C 2.81 -3.5172 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 1 5 7
M  V30 7 1 6 8 CFG=3
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 13 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 2 16 20
M  V30 20 2 19 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 22 24
M  V30 24 1 22 25
M  V30 25 1 6 7
M  V30 26 1 17 18
M  V30 27 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000155254277

>  <name>
NA

>  <smiles>
CC(C)(C)c1ccc(cc1)C1(CCCC1)NC(=O)C1CCNC(=O)C1

$$$$
ZINC000184510409
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S -0.891 1.0432 0.0 0
M  V30 2 C -0.0523 0.4986 0.0 0
M  V30 3 C -0.6321 2.0091 0.0 0
M  V30 4 N 0.7248 1.1279 0.0 0
M  V30 5 C 0.0 -0.5 0.0 0
M  V30 6 C 0.3664 2.0615 0.0 0
M  V30 7 N 0.866 0.0 0.0 0
M  V30 8 C -0.1045 -1.4945 0.0 0
M  V30 9 C -0.9135 -0.0932 0.0 0
M  V30 10 C 0.911 2.9002 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0
M  V30 12 C -1.0826 -1.7024 0.0 0
M  V30 13 C -1.5826 -0.8364 0.0 0
M  V30 14 O 2.598 0.0 0.0 0
M  V30 15 C 1.732 -1.5 0.0 0
M  V30 16 C 2.598 -1.9999 0.0 0
M  V30 17 C 0.866 -2.0 0.0 0
M  V30 18 C 2.598 -2.9999 0.0 0
M  V30 19 C 0.866 -3.0 0.0 0
M  V30 20 O 3.4641 -3.4999 0.0 0
M  V30 21 N 1.732 -3.5 0.0 0
M  V30 22 C 0.0 -3.5 0.0 0
M  V30 23 C -0.4999 -4.366 0.0 0
M  V30 24 C -0.9999 -3.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 8 12
M  V30 12 1 9 13
M  V30 13 2 11 14
M  V30 14 1 11 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 22 23
M  V30 23 1 22 24
M  V30 24 1 4 6
M  V30 25 1 12 13
M  V30 26 1 19 21
M  V30 27 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000184510409

>  <name>
NA

>  <smiles>
Cc1csc(n1)C1(CCCC1)NC(=O)c1cc([nH]c(=O)c1)C1CC1

$$$$
ZINC000305056174
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 9.0932 1.5 0.0 0
M  V30 2 C 9.0932 0.0 0.0 0
M  V30 3 C 7.7942 -0.75 0.0 0
M  V30 4 C 10.3923 -0.7499 0.0 0
M  V30 5 C 7.7942 -2.25 0.0 0
M  V30 6 C 6.4951 0.0 0.0 0 CFG=1
M  V30 7 C 10.3923 -2.2499 0.0 0
M  V30 8 F 6.4951 -3.0 0.0 0
M  V30 9 C 9.0932 -2.9999 0.0 0
M  V30 10 O 6.4951 1.5 0.0 0
M  V30 11 C 5.1961 -0.75 0.0 0
M  V30 12 N 3.8971 0.0 0.0 0
M  V30 13 C 2.598 -0.75 0.0 0
M  V30 14 O 2.598 -2.25 0.0 0
M  V30 15 C 1.299 0.0 0.0 0
M  V30 16 C 0.0 -0.75 0.0 0
M  V30 17 C -1.299 0.0 0.0 0
M  V30 18 C 0.0 -2.2499 0.0 0
M  V30 19 C -2.598 -0.7499 0.0 0
M  V30 20 C -1.299 -2.9999 0.0 0
M  V30 21 C -2.598 -2.2499 0.0 0
M  V30 22 O -3.8971 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 3
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 5 9
M  V30 9 1 6 10 CFG=3
M  V30 10 1 6 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 2 19 21
M  V30 21 1 21 22
M  V30 22 1 7 9
M  V30 23 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000305056174

>  <name>
NA

>  <smiles>
OC(CNC(=O)Cc1ccc(O)cc1)c1c(F)cccc1F

$$$$
ZINC000522019372
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl -0.7831 5.1986 0.0 0
M  V30 2 C -0.5873 3.7115 0.0 0
M  V30 3 C 0.7984 3.1374 0.0 0
M  V30 4 C -1.7773 2.7983 0.0 0
M  V30 5 C 0.9942 1.6503 0.0 0
M  V30 6 C -1.5816 1.3111 0.0 0
M  V30 7 C -0.1957 0.7371 0.0 0
M  V30 8 C 0.0 -0.75 0.0 0
M  V30 9 N 1.299 0.0 0.0 0
M  V30 10 C -0.3882 -2.1988 0.0 0
M  V30 11 C -1.4488 -0.3617 0.0 0
M  V30 12 C 2.598 -0.75 0.0 0
M  V30 13 C -1.8371 -1.8106 0.0 0
M  V30 14 O 3.8971 0.0 0.0 0
M  V30 15 C 2.598 -2.25 0.0 0
M  V30 16 C 1.299 -3.0 0.0 0
M  V30 17 C 3.8971 -2.9999 0.0 0
M  V30 18 C 1.299 -4.5 0.0 0
M  V30 19 C 3.8971 -4.4999 0.0 0
M  V30 20 O 0.0 -5.25 0.0 0
M  V30 21 N 2.598 -5.25 0.0 0
M  V30 22 C 5.1961 -5.2499 0.0 0
M  V30 23 C 6.4951 -4.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 22 23
M  V30 23 1 6 7
M  V30 24 1 11 13
M  V30 25 1 19 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000522019372

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CCC1)c1ccc(Cl)cc1

$$$$
ZINC001485985070
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 0.0 0.0 0
M  V30 2 C 6.9282 -0.5 0.0 0
M  V30 3 N 6.0621 0.0 0.0 0
M  V30 4 C 6.9282 -1.4999 0.0 0
M  V30 5 C 5.1961 -0.5 0.0 0
M  V30 6 N 6.1191 -2.0877 0.0 0
M  V30 7 C 7.7372 -2.0877 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 C 6.4282 -3.0388 0.0 0
M  V30 10 C 7.4282 -3.0388 0.0 0
M  V30 11 N 3.4641 -0.5 0.0 0
M  V30 12 C 4.3301 1.0 0.0 0
M  V30 13 C 8.0159 -3.8478 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 O 3.4641 1.5 0.0 0
M  V30 16 N 8.6037 -4.6568 0.0 0
M  V30 17 C 1.732 -0.5 0.0 0
M  V30 18 O 1.732 -1.5 0.0 0
M  V30 19 C 0.866 0.0 0.0 0
M  V30 20 C 0.0 -0.5 0.0 0
M  V30 21 C -0.866 0.0 0.0 0
M  V30 22 C 0.0 -1.4999 0.0 0
M  V30 23 C -1.732 -0.4999 0.0 0
M  V30 24 C -0.866 -1.9999 0.0 0
M  V30 25 C -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 1 8 11
M  V30 11 1 8 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 3 13 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 2 20 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 2 23 25
M  V30 25 2 9 10
M  V30 26 1 24 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001485985070

>  <name>
NA

>  <smiles>
OCC(CNC(=O)c1cc(c[nH]1)C#N)NCC(O)Cc1ccccc1

$$$$
ZINC000291660668
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 6.4952 0.0 0.0 0
M  V30 2 O 7.2452 1.299 0.0 0
M  V30 3 O 5.7452 1.299 0.0 0
M  V30 4 N 5.1961 -0.75 0.0 0
M  V30 5 C 7.7942 -0.75 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0
M  V30 7 C 9.0932 0.0 0.0 0
M  V30 8 C 2.598 -0.75 0.0 0
M  V30 9 O 2.598 -2.25 0.0 0
M  V30 10 N 1.299 0.0 0.0 0
M  V30 11 C 0.0 -0.75 0.0 0
M  V30 12 C -1.299 0.0 0.0 0
M  V30 13 C 0.0 -2.25 0.0 0
M  V30 14 O -1.299 1.5 0.0 0
M  V30 15 C -2.598 -0.75 0.0 0
M  V30 16 C -1.299 -3.0 0.0 0
M  V30 17 C -2.598 -2.25 0.0 0
M  V30 18 N -1.6109 -4.4672 0.0 0
M  V30 19 N -3.7128 -3.2537 0.0 0
M  V30 20 C -3.1026 -4.624 0.0 0
M  V30 21 C -0.6072 -5.5819 0.0 0
M  V30 22 C -5.18 -2.9418 0.0 0
M  V30 23 O -3.8526 -5.923 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 2 1 3
M  V30 3 1 1 4
M  V30 4 1 1 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 2 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 16 17
M  V30 24 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000291660668

>  <name>
NA

>  <smiles>
CCS(=O)(=O)NCC(=O)Nc1cc2n(C)c(=O)n(C)c2cc1O

$$$$
ZINC001176934813
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 10.3761 -2.9418 0.0 0
M  V30 2 C 8.9089 -3.2536 0.0 0
M  V30 3 N 7.7942 -2.2499 0.0 0
M  V30 4 C 8.2988 -4.624 0.0 0
M  V30 5 C 6.4951 -2.9999 0.0 0 CFG=2
M  V30 6 C 7.7942 -0.7499 0.0 0
M  V30 7 C 6.807 -4.4672 0.0 0
M  V30 8 C 8.9089 -5.9943 0.0 0
M  V30 9 C 5.1961 -2.25 0.0 0
M  V30 10 C 6.4951 0.0 0.0 0
M  V30 11 C 5.9253 -5.6807 0.0 0
M  V30 12 C 8.0272 -7.2078 0.0 0
M  V30 13 N 5.1961 -0.75 0.0 0
M  V30 14 C 6.5354 -7.051 0.0 0
M  V30 15 C 3.8971 0.0 0.0 0
M  V30 16 O 3.8971 1.5 0.0 0
M  V30 17 C 2.598 -0.75 0.0 0
M  V30 18 C 1.299 0.0 0.0 0
M  V30 19 N 0.0 -0.75 0.0 0
M  V30 20 C -1.3703 -0.1398 0.0 0
M  V30 21 C -0.1567 -2.2417 0.0 0
M  V30 22 C -2.374 -1.2546 0.0 0
M  V30 23 C -1.624 -2.5536 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 3 CFG=3
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 9 13
M  V30 13 2 11 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 2 21 23
M  V30 23 1 5 7
M  V30 24 1 10 13
M  V30 25 1 12 14
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001176934813

>  <name>
NA

>  <smiles>
O=C(CCn1cccc1)N1CCN2C(C1)c1ccccc1C2=O

$$$$
ZINC000621266389
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 9.0932 -3.0 0.0 0
M  V30 2 C 7.7942 -2.25 0.0 0
M  V30 3 C 7.7942 -0.75 0.0 0
M  V30 4 C 6.4951 -2.9999 0.0 0
M  V30 5 C 6.4951 0.0 0.0 0
M  V30 6 C 5.1961 -2.25 0.0 0
M  V30 7 C 5.1961 -0.75 0.0 0
M  V30 8 C 3.8971 0.0 0.0 0 CFG=1
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 3.8971 1.5 0.0 0
M  V30 11 C 1.299 0.0 0.0 0
M  V30 12 C 4.9577 2.5606 0.0 0
M  V30 13 C 2.8364 2.5606 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 C 3.8971 3.6213 0.0 0
M  V30 16 N -1.299 0.0 0.0 0
M  V30 17 C 0.0 -2.2499 0.0 0
M  V30 18 C -2.598 -0.7499 0.0 0
M  V30 19 C -1.299 -2.9999 0.0 0
M  V30 20 N -4.0246 -0.2864 0.0 0
M  V30 21 N -2.598 -2.2499 0.0 0
M  V30 22 O -1.299 -4.5 0.0 0
M  V30 23 C -4.9063 -1.4999 0.0 0
M  V30 24 N -4.0246 -2.7135 0.0 0
M  V30 25 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 7
M  V30 8 1 8 9 CFG=1
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 14 16
M  V30 16 2 14 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 1 20 23
M  V30 23 1 21 24
M  V30 24 2 23 25
M  V30 25 1 6 7
M  V30 26 1 13 15
M  V30 27 1 19 21
M  V30 28 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000621266389

>  <name>
NA

>  <smiles>
Fc1ccc(cc1)C(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)C1CCC1

$$$$
ZINC000923756949
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.7821 -2.1416 0.0 0
M  V30 2 C 3.1734 -2.935 0.0 0
M  V30 3 F 3.9667 -3.5438 0.0 0
M  V30 4 F 2.5646 -3.7283 0.0 0
M  V30 5 C 2.38 -2.3262 0.0 0
M  V30 6 C 2.5105 -1.3348 0.0 0
M  V30 7 C 1.4561 -2.7089 0.0 0
M  V30 8 C 1.7172 -0.726 0.0 0
M  V30 9 C 0.6628 -2.1002 0.0 0
M  V30 10 C 0.7933 -1.1087 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 N 0.866 0.0 0.0 0
M  V30 13 C -0.9659 -0.2411 0.0 0
M  V30 14 C -0.2588 -1.4659 0.0 0
M  V30 15 C 0.866 0.9999 0.0 0
M  V30 16 C -1.2247 -1.2071 0.0 0
M  V30 17 O 0.0 1.5 0.0 0
M  V30 18 N 1.732 1.4999 0.0 0
M  V30 19 C 1.732 2.4999 0.0 0 CFG=2
M  V30 20 C 2.541 3.0877 0.0 0
M  V30 21 C 0.923 3.0877 0.0 0
M  V30 22 O 2.232 4.0388 0.0 0
M  V30 23 C 1.232 4.0388 0.0 0
M  V30 24 O 0.6442 4.8478 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 19 18 CFG=1
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 23 24
M  V30 24 1 9 10
M  V30 25 1 14 16
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 19)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000923756949

>  <name>
NA

>  <smiles>
FC(F)(F)c1ccc(cc1)C1(CCC1)NC(=O)NC1COC(=O)C1

$$$$
ZINC000408164062
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 3.9999 0.0 0
M  V30 2 C 2.598 2.9999 0.0 0
M  V30 3 N 3.4641 2.4999 0.0 0
M  V30 4 C 1.732 2.4999 0.0 0
M  V30 5 C 3.4641 1.4999 0.0 0
M  V30 6 C 1.732 1.4999 0.0 0
M  V30 7 C 2.598 0.9999 0.0 0
M  V30 8 C 4.3301 0.9999 0.0 0
M  V30 9 C 0.866 0.9999 0.0 0
M  V30 10 O 0.0 1.5 0.0 0
M  V30 11 N 0.866 0.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C 0.8386 -1.0446 0.0 0
M  V30 14 C -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 N 0.891 -2.0432 0.0 0
M  V30 17 N 1.7722 -0.6862 0.0 0
M  V30 18 C -1.5826 -0.8364 0.0 0
M  V30 19 C -1.0826 -1.7024 0.0 0
M  V30 20 O 1.8569 -2.302 0.0 0
M  V30 21 C 2.4015 -1.4634 0.0 0
M  V30 22 C 3.4002 -1.411 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 2 17 21
M  V30 21 1 21 22
M  V30 22 1 6 7
M  V30 23 1 18 19
M  V30 24 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000408164062

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1noc(C)n1

$$$$
ZINC000680339269
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.75 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 C 5.1961 2.25 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 5.1961 3.75 0.0 0
M  V30 9 C 2.598 -0.75 0.0 0
M  V30 10 C 3.8971 4.5 0.0 0
M  V30 11 O 2.598 -2.25 0.0 0
M  V30 12 N 1.299 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 C -0.0785 0.7479 0.0 0
M  V30 15 C -0.1567 -2.2417 0.0 0
M  V30 16 C -1.3703 -0.1398 0.0 0
M  V30 17 N -1.3365 1.5649 0.0 0
M  V30 18 N 1.0872 1.6919 0.0 0
M  V30 19 C -1.624 -2.5536 0.0 0
M  V30 20 C -2.374 -1.2546 0.0 0
M  V30 21 O -0.9482 3.0137 0.0 0
M  V30 22 C 0.5496 3.0922 0.0 0
M  V30 23 C 1.3666 4.3503 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 1 17 21
M  V30 21 2 18 22
M  V30 22 1 22 23
M  V30 23 1 6 7
M  V30 24 1 19 20
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000680339269

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1noc(C)n1

$$$$
ZINC001062406583
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 1.9884 -5.3006 0.0 0
M  V30 2 C 2.119 -4.3091 0.0 0
M  V30 3 N 3.0428 -3.9264 0.0 0
M  V30 4 C 1.3256 -3.7004 0.0 0
M  V30 5 C 3.1734 -2.935 0.0 0
M  V30 6 C 1.4561 -2.7089 0.0 0
M  V30 7 C 2.38 -2.3262 0.0 0
M  V30 8 C 4.0972 -2.5523 0.0 0
M  V30 9 C 0.6628 -2.1002 0.0 0
M  V30 10 C 4.2278 -1.5609 0.0 0
M  V30 11 O -0.261 -2.4828 0.0 0
M  V30 12 N 0.7933 -1.1087 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0
M  V30 14 C -0.9659 -0.2411 0.0 0
M  V30 15 C -0.2588 -1.4659 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C -1.2247 -1.2071 0.0 0
M  V30 18 N 1.732 -0.5 0.0 0
M  V30 19 C 2.598 0.0 0.0 0
M  V30 20 O 2.598 1.0 0.0 0
M  V30 21 C 3.4641 -0.5 0.0 0
M  V30 22 C 4.3301 0.0 0.0 0
M  V30 23 C 5.1961 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 6 7
M  V30 24 1 15 17
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001062406583

>  <name>
NA

>  <smiles>
CCCC(=O)NCC1(CCC1)NC(=O)C1CC(CC)NC(=O)C1

$$$$
ZINC000543582472
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 -2.9999 0.0 0
M  V30 2 C 4.3301 -1.9999 0.0 0
M  V30 3 N 5.1961 -1.5 0.0 0
M  V30 4 C 3.4641 -1.5 0.0 0
M  V30 5 C 5.1961 -0.5 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 C 2.598 0.0 0.0 0
M  V30 10 C 6.0621 0.9999 0.0 0
M  V30 11 O 2.598 1.0 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0
M  V30 15 C -0.866 0.0 0.0 0
M  V30 16 C 0.0 -1.4999 0.0 0
M  V30 17 C -1.732 -0.4999 0.0 0
M  V30 18 C -0.866 -1.9999 0.0 0
M  V30 19 C -1.732 -1.4999 0.0 0
M  V30 20 O -2.598 -1.9999 0.0 0
M  V30 21 C -2.598 -2.9999 0.0 0
M  V30 22 C -3.4641 -3.4999 0.0 0
M  V30 23 O -3.4641 -4.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 2 17 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 6 7
M  V30 24 1 18 19
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000543582472

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NCc1ccc(OCCO)cc1

$$$$
ZINC001658474890
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -3.0 0.0 0
M  V30 2 C 2.598 -1.9999 0.0 0
M  V30 3 N 3.4641 -1.4999 0.0 0
M  V30 4 C 1.732 -1.4999 0.0 0
M  V30 5 N 4.4151 -1.809 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 C 5.0029 -0.9999 0.0 0
M  V30 9 N 4.4151 -0.1909 0.0 0
M  V30 10 N 2.598 0.0 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 N 6.0029 -0.9999 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C -0.866 0.0 0.0 0
M  V30 15 C 0.0 -1.4999 0.0 0
M  V30 16 C -1.732 -0.4999 0.0 0 CFG=1
M  V30 17 C -0.866 -1.9999 0.0 0
M  V30 18 C -2.598 0.0 0.0 0
M  V30 19 C -1.732 -1.4999 0.0 0
M  V30 20 N -2.7026 0.9945 0.0 0
M  V30 21 N -3.5116 -0.4067 0.0 0
M  V30 22 C -3.6807 1.2024 0.0 0
M  V30 23 C -4.1807 0.3364 0.0 0
M  V30 24 C -3.7195 -1.3848 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 16 14
M  V30 16 1 15 17
M  V30 17 1 16 18 CFG=3
M  V30 18 1 16 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 21 24
M  V30 24 1 7 10
M  V30 25 1 8 9
M  V30 26 1 17 19
M  V30 27 2 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 16)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001658474890

>  <name>
NA

>  <smiles>
Cn1ccnc1C1CCCN(Cc2cc(=O)n3[nH]c(=N)nc3[nH]2)C1

$$$$
ZINC000636287155
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 19 21 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 4.222 -2.5536 0.0 0
M  V30 2 C 4.972 -1.2546 0.0 0
M  V30 3 C 2.7548 -2.2417 0.0 0
M  V30 4 O 6.4638 -1.0978 0.0 0
M  V30 5 N 3.9683 -0.1398 0.0 0
M  V30 6 C 2.598 -0.75 0.0 0
M  V30 7 C 1.299 0.0 0.0 0
M  V30 8 O 1.299 1.5 0.0 0
M  V30 9 N 0.0 -0.75 0.0 0
M  V30 10 C -1.3703 -0.1398 0.0 0
M  V30 11 C -0.1567 -2.2417 0.0 0
M  V30 12 C -2.374 -1.2546 0.0 0
M  V30 13 C -1.624 -2.5536 0.0 0
M  V30 14 N -3.874 -1.2546 0.0 0
M  V30 15 C -2.374 -3.8526 0.0 0
M  V30 16 C -4.624 -2.5536 0.0 0
M  V30 17 O -1.624 -5.1517 0.0 0
M  V30 18 N -3.874 -3.8526 0.0 0
M  V30 19 C -6.124 -2.5536 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 5 6
M  V30 20 2 12 13
M  V30 21 2 16 18
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000636287155

>  <name>
NA

>  <smiles>
Cc1nc(=O)c2CN(Cc2[nH]1)C(=O)c1csc(=O)[nH]1

$$$$
ZINC000621312313
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.7499 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 N 7.6099 2.5036 0.0 0
M  V30 6 C 5.1961 2.25 0.0 0
M  V30 7 C 3.8971 0.0 0.0 0
M  V30 8 C 6.9998 3.874 0.0 0
M  V30 9 N 5.508 3.7172 0.0 0
M  V30 10 N 3.8971 1.5 0.0 0
M  V30 11 C 2.598 -0.75 0.0 0
M  V30 12 N 7.7498 5.173 0.0 0
M  V30 13 N 1.299 0.0 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 C -0.1957 0.7371 0.0 0
M  V30 16 C -0.3882 -2.1988 0.0 0
M  V30 17 C -1.4488 -0.3617 0.0 0
M  V30 18 C -1.5816 1.3111 0.0 0
M  V30 19 C 0.9942 1.6503 0.0 0
M  V30 20 C -1.8371 -1.8106 0.0 0
M  V30 21 C -1.7773 2.7983 0.0 0
M  V30 22 C 0.7984 3.1374 0.0 0
M  V30 23 C -0.5873 3.7115 0.0 0
M  V30 24 C -3.1632 3.3723 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 2 21 23
M  V30 23 1 21 24
M  V30 24 1 7 10
M  V30 25 1 8 9
M  V30 26 1 17 20
M  V30 27 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000621312313

>  <name>
NA

>  <smiles>
Cc1cccc(c1)C1(CCC1)NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC001328904137
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 1.299 1.4999 0.0 0
M  V30 2 C 2.598 2.2499 0.0 0
M  V30 3 C 3.8971 1.5 0.0 0
M  V30 4 C 2.598 3.7499 0.0 0
M  V30 5 C 5.1961 2.25 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0 CFG=1
M  V30 7 C 3.8971 4.5 0.0 0
M  V30 8 C 5.1961 3.75 0.0 0
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 5.1961 -0.75 0.0 0
M  V30 11 C 1.299 0.0 0.0 0
M  V30 12 C 6.4951 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 N -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.2499 0.0 0
M  V30 16 C -2.598 -0.7499 0.0 0
M  V30 17 C -1.299 -2.9999 0.0 0
M  V30 18 N -4.0246 -0.2864 0.0 0
M  V30 19 N -2.598 -2.2499 0.0 0
M  V30 20 O -1.299 -4.4999 0.0 0
M  V30 21 C -4.9063 -1.4999 0.0 0
M  V30 22 N -4.0246 -2.7135 0.0 0
M  V30 23 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 3
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9 CFG=3
M  V30 9 1 6 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 21 23
M  V30 23 1 7 8
M  V30 24 1 17 19
M  V30 25 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001328904137

>  <name>
NA

>  <smiles>
CCC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccccc1F

$$$$
ZINC001451356088
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 9.5262 0.0 0.0 0
M  V30 2 C 8.6602 -0.5 0.0 0
M  V30 3 C 7.7942 0.0 0.0 0
M  V30 4 C 8.6602 -1.5 0.0 0
M  V30 5 C 6.9282 -0.5 0.0 0
M  V30 6 C 7.7942 -2.0 0.0 0
M  V30 7 C 6.9282 -1.5 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 C 5.1961 -0.5 0.0 0
M  V30 10 O 5.1961 -1.4999 0.0 0
M  V30 11 N 4.3301 0.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 13 C 3.4641 -1.5 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 O 4.3301 -2.0 0.0 0
M  V30 16 N 1.732 -0.5 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 O 0.866 1.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 N -0.9135 -0.0932 0.0 0
M  V30 21 C -0.1045 -1.4945 0.0 0
M  V30 22 C -1.5826 -0.8364 0.0 0
M  V30 23 C -1.0826 -1.7024 0.0 0
M  V30 24 C -1.4894 -2.6159 0.0 0
M  V30 25 N -1.8961 -3.5295 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 12 11 CFG=3
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 16 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 2 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 23 24
M  V30 24 3 24 25
M  V30 25 1 6 7
M  V30 26 2 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001451356088

>  <name>
NA

>  <smiles>
OCC(CNC(=O)c1cc(c[nH]1)C#N)NC(=O)Cc1cccc(F)c1

$$$$
ZINC000775790458
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9073 0.2318 0.0 0
M  V30 2 C 5.9128 0.3364 0.0 0
M  V30 3 O 5.4128 1.2024 0.0 0
M  V30 4 C 5.2436 -0.4067 0.0 0
M  V30 5 C 4.4346 0.9945 0.0 0
M  V30 6 C 4.3301 0.0 0.0 0 CFG=1
M  V30 7 C 3.4641 -0.5 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 O 2.598 1.0 0.0 0
M  V30 10 N 1.732 -0.5 0.0 0
M  V30 11 C 1.732 -1.5 0.0 0
M  V30 12 C 0.866 0.0 0.0 0
M  V30 13 C 0.866 -1.9999 0.0 0
M  V30 14 C 2.598 -1.9999 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 C 0.866 -2.9999 0.0 0
M  V30 17 C 2.598 -2.9999 0.0 0
M  V30 18 N -0.9135 -0.0932 0.0 0
M  V30 19 C -0.1045 -1.4945 0.0 0
M  V30 20 C 1.732 -3.4999 0.0 0
M  V30 21 C -1.5826 -0.8364 0.0 0
M  V30 22 C -1.0826 -1.7024 0.0 0
M  V30 23 N 1.732 -4.5 0.0 0
M  V30 24 C 0.866 -5.0 0.0 0
M  V30 25 C 2.598 -4.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 1 6 7 CFG=3
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 2 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 15 18
M  V30 18 2 15 19
M  V30 19 2 16 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 23 25
M  V30 25 1 5 6
M  V30 26 1 17 20
M  V30 27 2 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000775790458

>  <name>
NA

>  <smiles>
CN(C)c1ccc(cc1)N(Cc1ccc[nH]1)C(=O)CC1COC(=O)C1

$$$$
ZINC000275089716
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 10.3478 5.173 0.0 0
M  V30 2 C 9.5978 3.874 0.0 0
M  V30 3 N 8.1061 3.7172 0.0 0
M  V30 4 N 10.208 2.5036 0.0 0
M  V30 5 C 7.7942 2.25 0.0 0
M  V30 6 C 7.1024 4.8319 0.0 0
M  V30 7 C 9.0932 1.5 0.0 0
M  V30 8 C 11.6752 2.1918 0.0 0
M  V30 9 C 6.4952 1.5 0.0 0
M  V30 10 C 9.0932 0.0 0.0 0
M  V30 11 C 6.4952 0.0 0.0 0
M  V30 12 C 7.7942 -0.75 0.0 0
M  V30 13 N 5.1961 -0.75 0.0 0
M  V30 14 C 3.8971 0.0 0.0 0
M  V30 15 O 3.8971 1.5 0.0 0
M  V30 16 C 2.598 -0.75 0.0 0
M  V30 17 O 2.598 -2.25 0.0 0
M  V30 18 N 1.299 0.0 0.0 0
M  V30 19 C 0.0 -0.75 0.0 0
M  V30 20 C -1.4488 -0.3617 0.0 0
M  V30 21 C -0.3882 -2.1988 0.0 0
M  V30 22 C -1.8371 -1.8106 0.0 0
M  V30 23 C -1.4488 1.1381 0.0 0
M  V30 24 C -2.7479 0.3881 0.0 0
M  V30 25 O -3.1361 -2.5606 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 20 23
M  V30 23 1 20 24
M  V30 24 1 22 25
M  V30 25 2 5 7
M  V30 26 1 11 12
M  V30 27 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000275089716

>  <name>
NA

>  <smiles>
Cn1c2ccc(NC(=O)C(=O)NC3CC(O)C3(C)C)cc2n(C)c1=O

$$$$
ZINC001269585362
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.359 -5.1298 0.0 0
M  V30 2 C 2.4113 -4.1311 0.0 0
M  V30 3 N 3.3023 -3.6771 0.0 0
M  V30 4 C 1.5726 -3.5865 0.0 0
M  V30 5 C 3.3546 -2.6785 0.0 0
M  V30 6 C 1.625 -2.5879 0.0 0
M  V30 7 O 4.2456 -2.2245 0.0 0
M  V30 8 C 2.516 -2.1339 0.0 0
M  V30 9 C 0.7863 -2.0432 0.0 0 CFG=2
M  V30 10 O -0.1046 -2.4972 0.0 0
M  V30 11 N 0.8386 -1.0446 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C -0.9135 -0.0932 0.0 0
M  V30 14 C -0.1045 -1.4945 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 C -1.5826 -0.8364 0.0 0
M  V30 17 C -1.0826 -1.7024 0.0 0
M  V30 18 N 1.732 -0.5 0.0 0
M  V30 19 C 2.598 0.0 0.0 0
M  V30 20 C 3.4641 -0.5 0.0 0
M  V30 21 O 3.4641 -1.5 0.0 0
M  V30 22 N 4.3301 0.0 0.0 0
M  V30 23 C 5.1961 -0.5 0.0 0
M  V30 24 C 6.0621 0.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 9 6
M  V30 9 1 9 10 CFG=3
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 2 20 21
M  V30 21 1 20 22
M  V30 22 1 22 23
M  V30 23 1 23 24
M  V30 24 1 6 8
M  V30 25 1 16 17
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001269585362

>  <name>
NA

>  <smiles>
CCNC(=O)CNCC1(CCCC1)NC(O)c1cc(O)[nH]c(=O)c1

$$$$
ZINC001473512321
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -3.0 0.0 0
M  V30 2 C 2.598 -1.9999 0.0 0
M  V30 3 N 3.4641 -1.4999 0.0 0
M  V30 4 C 1.732 -1.4999 0.0 0
M  V30 5 N 4.4151 -1.809 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 C 5.0029 -0.9999 0.0 0
M  V30 9 N 4.4151 -0.1909 0.0 0
M  V30 10 N 2.598 0.0 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 N 6.0029 -0.9999 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C -0.8262 0.0633 0.0 0
M  V30 15 C 0.0747 -1.4972 0.0 0
M  V30 16 C -1.7818 -0.2314 0.0 0
M  V30 17 C -0.6583 -2.1773 0.0 0
M  V30 18 C -2.1471 -1.1623 0.0 0 CFG=2
M  V30 19 C -1.6471 -2.0283 0.0 0
M  V30 20 C -3.1443 -1.237 0.0 0
M  V30 21 O -3.5782 -2.138 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 18 16
M  V30 18 1 17 19
M  V30 19 1 18 20 CFG=3
M  V30 20 1 20 21
M  V30 21 1 7 10
M  V30 22 1 8 9
M  V30 23 1 18 19
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 18)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001473512321

>  <name>
NA

>  <smiles>
OCC1CCCN(Cc2cc(=O)n3[nH]c(=N)nc3[nH]2)CC1

$$$$
ZINC001421390704
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 8.6602 -0.5 0.0 0
M  V30 2 C 7.7942 0.0 0.0 0
M  V30 3 N 7.7942 0.9999 0.0 0
M  V30 4 C 6.9282 -0.5 0.0 0
M  V30 5 C 6.9282 1.4999 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 6.0621 1.0 0.0 0
M  V30 8 C 5.1961 -0.5 0.0 0
M  V30 9 O 5.1961 -1.4999 0.0 0
M  V30 10 N 4.3301 0.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 2.598 1.0 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 C 1.732 1.5 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 C -1.732 -1.4999 0.0 0
M  V30 23 C -2.598 -1.9999 0.0 0
M  V30 24 O -2.598 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 22 23
M  V30 23 1 23 24
M  V30 24 1 6 7
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001421390704

>  <name>
NA

>  <smiles>
CCC(CNC(=O)C1CCNC(=O)C1)NCc1ccc(CO)cc1

$$$$
ZINC001413542285
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 1.0 0.0 0
M  V30 2 C 2.598 0.0 0.0 0
M  V30 3 N 3.4641 -0.5 0.0 0
M  V30 4 N 1.732 -0.5 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0
M  V30 6 C 0.866 0.0 0.0 0
M  V30 7 C 5.1961 -0.4999 0.0 0
M  V30 8 C 4.3301 0.9999 0.0 0
M  V30 9 C 0.0 -0.5 0.0 0
M  V30 10 N 5.1961 -1.4999 0.0 0
M  V30 11 C 6.0621 0.0 0.0 0
M  V30 12 C 5.1961 1.4999 0.0 0
M  V30 13 C -0.9659 -0.2411 0.0 0
M  V30 14 C -0.2588 -1.4659 0.0 0
M  V30 15 N 4.3871 -2.0877 0.0 0
M  V30 16 C 6.0051 -2.0877 0.0 0
M  V30 17 C 6.0621 1.0 0.0 0
M  V30 18 C 5.1961 2.5 0.0 0
M  V30 19 C -1.2247 -1.2071 0.0 0
M  V30 20 C 4.6961 -3.0388 0.0 0
M  V30 21 C 5.6961 -3.0388 0.0 0
M  V30 22 O 6.0621 3.0 0.0 0
M  V30 23 N 4.3301 3.0 0.0 0
M  V30 24 O -2.0907 -1.7071 0.0 0
M  V30 25 C 6.2839 -3.8478 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 9 13
M  V30 13 1 9 14
M  V30 14 1 10 15
M  V30 15 1 10 16
M  V30 16 2 11 17
M  V30 17 1 12 18
M  V30 18 1 13 19
M  V30 19 2 15 20
M  V30 20 2 16 21
M  V30 21 2 18 22
M  V30 22 1 18 23
M  V30 23 1 19 24
M  V30 24 1 21 25
M  V30 25 1 12 17
M  V30 26 1 14 19
M  V30 27 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001413542285

>  <name>
NA

>  <smiles>
Cc1cnn(c1)-c1ccc(cc1NC(=O)NCC1CC(O)C1)C(N)=O

$$$$
ZINC001015460676
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.75 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 C 5.1961 2.25 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 5.1961 3.75 0.0 0
M  V30 9 C 2.598 -0.75 0.0 0
M  V30 10 C 2.598 2.25 0.0 0
M  V30 11 C 3.8971 4.5 0.0 0
M  V30 12 O 2.598 -2.25 0.0 0
M  V30 13 N 1.299 0.0 0.0 0
M  V30 14 C 2.598 3.7499 0.0 0
M  V30 15 C 0.0 -0.75 0.0 0
M  V30 16 C -1.3703 -0.1398 0.0 0
M  V30 17 C -0.1567 -2.2417 0.0 0
M  V30 18 N -2.374 -1.2546 0.0 0
M  V30 19 C -1.624 -2.5536 0.0 0
M  V30 20 C -3.8657 -1.0978 0.0 0
M  V30 21 C -4.4759 0.2724 0.0 0
M  V30 22 O -3.5942 1.486 0.0 0
M  V30 23 N -5.9676 0.4292 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 2 8 11
M  V30 11 1 9 12
M  V30 12 1 9 13
M  V30 13 2 10 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 2 21 22
M  V30 22 1 21 23
M  V30 23 1 6 7
M  V30 24 1 11 14
M  V30 25 1 18 19
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001015460676

>  <name>
NA

>  <smiles>
NC(=O)CN1CCC(C1)NC(O)c1cc(=O)[nH]c2ccccc12

$$$$
ZINC001337920081
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 2.598 -0.75 0.0 0
M  V30 2 C 3.8971 0.0 0.0 0
M  V30 3 C 1.299 0.0 0.0 0
M  V30 4 N 5.1961 -0.7499 0.0 0
M  V30 5 N 3.8971 1.4999 0.0 0
M  V30 6 C 0.0 -0.75 0.0 0
M  V30 7 C 6.4951 0.0 0.0 0
M  V30 8 C 5.1961 2.25 0.0 0
M  V30 9 C 2.598 2.2499 0.0 0
M  V30 10 N -1.299 0.0 0.0 0
M  V30 11 C 0.0 -2.2499 0.0 0
M  V30 12 C 6.4951 1.5 0.0 0
M  V30 13 C 7.7942 -0.7499 0.0 0
M  V30 14 O 5.1961 3.75 0.0 0
M  V30 15 C -2.598 -0.7499 0.0 0
M  V30 16 C -1.299 -2.9999 0.0 0
M  V30 17 C 7.7942 2.25 0.0 0
M  V30 18 C 9.0932 0.0 0.0 0
M  V30 19 N -4.0246 -0.2864 0.0 0
M  V30 20 N -2.598 -2.2499 0.0 0
M  V30 21 O -1.299 -4.4999 0.0 0
M  V30 22 C 9.0932 1.5 0.0 0
M  V30 23 C -4.9063 -1.4999 0.0 0
M  V30 24 N -4.0246 -2.7135 0.0 0
M  V30 25 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 2 6 11
M  V30 11 2 7 12
M  V30 12 1 7 13
M  V30 13 2 8 14
M  V30 14 1 10 15
M  V30 15 1 11 16
M  V30 16 1 12 17
M  V30 17 2 13 18
M  V30 18 2 15 19
M  V30 19 1 15 20
M  V30 20 2 16 21
M  V30 21 2 17 22
M  V30 22 1 19 23
M  V30 23 1 20 24
M  V30 24 2 23 25
M  V30 25 1 8 12
M  V30 26 1 16 20
M  V30 27 1 18 22
M  V30 28 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001337920081

>  <name>
NA

>  <smiles>
Cn1c(SCc2cc(=O)n3[nH]c(=N)nc3[nH]2)nc2ccccc2c1=O

$$$$
ZINC001144572896
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.9282 1.4999 0.0 0
M  V30 2 C 6.0621 0.9999 0.0 0
M  V30 3 C 5.1961 1.4999 0.0 0
M  V30 4 C 6.0621 0.0 0.0 0
M  V30 5 C 4.3301 0.9999 0.0 0
M  V30 6 C 5.1961 2.4999 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 F 4.1961 2.5 0.0 0
M  V30 10 F 5.1961 3.4999 0.0 0
M  V30 11 F 6.1961 2.4999 0.0 0
M  V30 12 N 5.1961 -1.5 0.0 0
M  V30 13 N 3.4641 -0.5 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 O 2.598 1.0 0.0 0
M  V30 16 C 1.732 -0.5 0.0 0
M  V30 17 N 0.866 0.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 C -0.866 0.0 0.0 0
M  V30 20 C 0.0 -1.4999 0.0 0
M  V30 21 C -1.732 -0.4999 0.0 0
M  V30 22 C -0.866 -1.9999 0.0 0
M  V30 23 C -1.732 -1.4999 0.0 0
M  V30 24 O -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 6 11
M  V30 11 1 7 12
M  V30 12 1 8 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 2 21 23
M  V30 23 1 23 24
M  V30 24 1 7 8
M  V30 25 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001144572896

>  <name>
NA

>  <smiles>
Nc1cc(F)c(cc1NC(=O)CNc1ccc(O)cc1)C(F)(F)F

$$$$
ZINC000621284281
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.8545 3.7682 0.0 0
M  V30 2 C 6.9034 3.4592 0.0 0
M  V30 3 N 6.1603 4.1283 0.0 0
M  V30 4 C 6.6955 2.481 0.0 0
M  V30 5 N 6.1603 5.1283 0.0 0
M  V30 6 C 5.2092 3.8193 0.0 0
M  V30 7 C 5.7445 2.172 0.0 0
M  V30 8 C 5.2092 5.4373 0.0 0
M  V30 9 N 4.6215 4.6283 0.0 0
M  V30 10 N 5.0013 2.8411 0.0 0
M  V30 11 C 5.5366 1.1939 0.0 0
M  V30 12 N 4.9002 6.3884 0.0 0
M  V30 13 N 4.5855 0.8848 0.0 0
M  V30 14 C 4.3776 -0.0932 0.0 0
M  V30 15 C 3.4641 -0.5 0.0 0
M  V30 16 C 5.0467 -0.8364 0.0 0
M  V30 17 C 3.5686 -1.4945 0.0 0
M  V30 18 C 2.598 0.0 0.0 0
M  V30 19 C 4.5467 -1.7024 0.0 0
M  V30 20 C 1.732 -0.5 0.0 0
M  V30 21 C 0.866 0.0 0.0 0
M  V30 22 C 0.866 1.0 0.0 0
M  V30 23 C 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 1 21 22
M  V30 22 1 21 23
M  V30 23 1 7 10
M  V30 24 1 8 9
M  V30 25 1 17 19
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000621284281

>  <name>
NA

>  <smiles>
CC(C)CCC1CCCC1NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC000621273378
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 -0.5 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 N 6.0621 0.9999 0.0 0
M  V30 4 C 5.1961 -0.4999 0.0 0
M  V30 5 N 6.8053 1.6691 0.0 0
M  V30 6 C 5.1961 1.4999 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 6.3985 2.5826 0.0 0
M  V30 9 N 5.404 2.4781 0.0 0
M  V30 10 N 4.3301 1.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 6.8985 3.4487 0.0 0
M  V30 13 N 2.598 0.0 0.0 0
M  V30 14 C 1.732 -0.5 0.0 0 CFG=2
M  V30 15 C 1.732 -1.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 0.866 -1.9999 0.0 0
M  V30 18 C 2.598 -2.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 C 0.866 -2.9999 0.0 0
M  V30 21 C 2.598 -3.0 0.0 0
M  V30 22 C 1.732 -3.5 0.0 0
M  V30 23 C 1.732 -4.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13 CFG=3
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 2 20 22
M  V30 22 1 22 23
M  V30 23 1 7 10
M  V30 24 1 8 9
M  V30 25 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000621273378

>  <name>
NA

>  <smiles>
CCC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccc(C)cc1

$$$$
ZINC001176874142
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 10.3761 -2.9418 0.0 0
M  V30 2 C 8.9089 -3.2536 0.0 0
M  V30 3 N 7.7942 -2.2499 0.0 0
M  V30 4 C 8.2988 -4.624 0.0 0
M  V30 5 C 6.4951 -2.9999 0.0 0 CFG=2
M  V30 6 C 7.7942 -0.7499 0.0 0
M  V30 7 C 6.807 -4.4672 0.0 0
M  V30 8 C 8.9089 -5.9943 0.0 0
M  V30 9 C 5.1961 -2.25 0.0 0
M  V30 10 C 6.4951 0.0 0.0 0
M  V30 11 C 5.9253 -5.6807 0.0 0
M  V30 12 C 8.0272 -7.2078 0.0 0
M  V30 13 N 5.1961 -0.75 0.0 0
M  V30 14 C 6.5354 -7.051 0.0 0
M  V30 15 C 3.8971 0.0 0.0 0
M  V30 16 O 3.8971 1.5 0.0 0
M  V30 17 C 2.598 -0.75 0.0 0
M  V30 18 C 1.299 0.0 0.0 0
M  V30 19 N 0.0 -0.75 0.0 0
M  V30 20 C -1.3703 -0.1398 0.0 0
M  V30 21 C -0.1567 -2.2417 0.0 0
M  V30 22 N -2.374 -1.2546 0.0 0
M  V30 23 C -1.624 -2.5536 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 3 CFG=3
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 9 13
M  V30 13 2 11 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 2 21 23
M  V30 23 1 5 7
M  V30 24 1 10 13
M  V30 25 1 12 14
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001176874142

>  <name>
NA

>  <smiles>
O=C(CCn1ccnc1)N1CCN2C(C1)c1ccccc1C2=O

$$$$
ZINC001579947066
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.8689 0.5 0.0 0
M  V30 2 C 5.8689 0.5 0.0 0
M  V30 3 N 5.2811 1.309 0.0 0
M  V30 4 N 5.2811 -0.309 0.0 0
M  V30 5 C 4.3301 1.0 0.0 0
M  V30 6 C 5.5902 2.26 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 5.5902 -1.26 0.0 0
M  V30 9 C 3.4641 1.4999 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.9999 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 O 1.732 1.4999 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 C -1.732 -1.4999 0.0 0
M  V30 23 N -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 22 23
M  V30 23 2 5 7
M  V30 24 1 11 12
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001579947066

>  <name>
NA

>  <smiles>
Cn1c2cc(O)c(NC(=O)c3ccc(N)cn3)cc2n(C)c1=O

$$$$
ZINC001648557580
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 9.0932 -4.5 0.0 0
M  V30 2 C 9.0932 -3.0 0.0 0
M  V30 3 N 10.3923 -2.25 0.0 0
M  V30 4 C 7.7942 -2.2499 0.0 0
M  V30 5 N 11.8188 -2.7135 0.0 0
M  V30 6 C 10.3923 -0.75 0.0 0
M  V30 7 C 7.7942 -0.75 0.0 0
M  V30 8 C 12.7005 -1.5 0.0 0
M  V30 9 N 11.8188 -0.2864 0.0 0
M  V30 10 N 9.0932 0.0 0.0 0
M  V30 11 C 6.4951 0.0 0.0 0
M  V30 12 N 14.2005 -1.5 0.0 0
M  V30 13 N 5.1961 -0.75 0.0 0
M  V30 14 C 3.8971 0.0 0.0 0 CFG=2
M  V30 15 C 3.8971 1.5 0.0 0
M  V30 16 C 2.598 -0.75 0.0 0
M  V30 17 C 5.1961 2.25 0.0 0
M  V30 18 C 2.598 2.2499 0.0 0
M  V30 19 O 2.598 -2.25 0.0 0
M  V30 20 O 1.299 0.0 0.0 0
M  V30 21 C 5.1961 3.75 0.0 0
M  V30 22 C 2.598 3.75 0.0 0
M  V30 23 C 0.0 -0.75 0.0 0
M  V30 24 C 3.8971 4.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13 CFG=1
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 1 16 20
M  V30 20 1 17 21
M  V30 21 2 18 22
M  V30 22 1 20 23
M  V30 23 2 21 24
M  V30 24 1 7 10
M  V30 25 1 8 9
M  V30 26 1 22 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001648557580

>  <name>
NA

>  <smiles>
COC(=O)C(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccccc1

$$$$
ZINC000621285995
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -3.0 0.0 0
M  V30 2 C 2.598 -1.9999 0.0 0
M  V30 3 N 3.4641 -1.4999 0.0 0
M  V30 4 C 1.732 -1.4999 0.0 0
M  V30 5 N 4.4151 -1.809 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 C 5.0029 -0.9999 0.0 0
M  V30 9 N 4.4151 -0.1909 0.0 0
M  V30 10 N 2.598 0.0 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 N 6.0029 -0.9999 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 C -1.5826 -0.8364 0.0 0
M  V30 17 C -1.2225 0.8577 0.0 0
M  V30 18 C -1.0826 -1.7024 0.0 0
M  V30 19 C -2.5608 -0.6284 0.0 0
M  V30 20 C -2.2007 1.0657 0.0 0
M  V30 21 C -2.0162 -2.0608 0.0 0
M  V30 22 C -0.7243 -2.636 0.0 0
M  V30 23 C -2.8698 0.3225 0.0 0
M  V30 24 C -1.6578 -2.9943 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 18 22
M  V30 22 2 19 23
M  V30 23 1 21 24
M  V30 24 1 7 10
M  V30 25 1 8 9
M  V30 26 1 16 18
M  V30 27 1 20 23
M  V30 28 1 22 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000621285995

>  <name>
NA

>  <smiles>
N=c1nc2[nH]c(CN3CC4(CCC4)c4ccccc34)cc(=O)n2[nH]1

$$$$
ZINC000121967336
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 19 20 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 -0.5 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 N 4.3301 1.0 0.0 0
M  V30 4 C 3.4641 -0.4999 0.0 0
M  V30 5 C 3.4641 1.5 0.0 0
M  V30 6 C 2.598 0.0 0.0 0 CFG=2
M  V30 7 C 2.598 1.0 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 O 1.732 -1.5 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C -0.866 0.0 0.0 0
M  V30 13 C 0.0 -1.4999 0.0 0
M  V30 14 N -0.866 1.0 0.0 0
M  V30 15 C -1.732 -0.4999 0.0 0
M  V30 16 C -0.866 -1.9999 0.0 0
M  V30 17 C 0.0 1.5 0.0 0
M  V30 18 C -1.732 1.5 0.0 0
M  V30 19 C -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 1 5 7
M  V30 7 1 6 8 CFG=1
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 1 14 17
M  V30 17 1 14 18
M  V30 18 2 15 19
M  V30 19 1 6 7
M  V30 20 1 16 19
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000121967336

>  <name>
NA

>  <smiles>
CN(C)c1ccccc1NC(=O)C1CCNC(=O)C1

$$$$
ZINC000077831793
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 16.7986 -1.5 0.0 0
M  V30 2 C 15.2986 -1.5 0.0 0
M  V30 3 N 14.4169 -0.2864 0.0 0
M  V30 4 N 14.4169 -2.7135 0.0 0
M  V30 5 C 12.9904 -0.75 0.0 0
M  V30 6 C 14.8805 1.1401 0.0 0
M  V30 7 C 12.9904 -2.25 0.0 0
M  V30 8 C 14.8805 -4.1401 0.0 0
M  V30 9 C 11.6913 0.0 0.0 0
M  V30 10 C 11.6913 -3.0 0.0 0
M  V30 11 C 10.3923 -0.75 0.0 0
M  V30 12 C 10.3923 -2.25 0.0 0
M  V30 13 N 9.0932 0.0 0.0 0
M  V30 14 C 7.7942 -0.75 0.0 0
M  V30 15 O 7.7942 -2.25 0.0 0
M  V30 16 C 6.4952 0.0 0.0 0
M  V30 17 O 6.4952 1.5 0.0 0
M  V30 18 N 5.1961 -0.75 0.0 0
M  V30 19 C 3.8971 0.0 0.0 0
M  V30 20 C 2.598 -0.75 0.0 0 CFG=1
M  V30 21 O 1.848 -2.049 0.0 0
M  V30 22 C 1.299 0.0 0.0 0
M  V30 23 C 3.348 -2.049 0.0 0
M  V30 24 C 0.0 -0.75 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 20 19
M  V30 20 1 20 21 CFG=1
M  V30 21 1 20 22
M  V30 22 1 20 23
M  V30 23 1 22 24
M  V30 24 2 5 7
M  V30 25 1 11 12
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 20)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000077831793

>  <name>
NA

>  <smiles>
CCC(C)(O)CNC(=O)C(=O)Nc1ccc2n(C)c(=O)n(C)c2c1

$$$$
ZINC000068419379
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 5.6961 0.366 0.0 0
M  V30 2 C 5.1961 -0.5 0.0 0
M  V30 3 F 6.0621 -1.0 0.0 0
M  V30 4 F 4.6961 -1.366 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0
M  V30 6 N 3.4641 -0.5 0.0 0
M  V30 7 C 2.598 0.0 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 O 1.732 -1.5 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C -0.866 0.0 0.0 0
M  V30 13 C 0.0 -1.4999 0.0 0
M  V30 14 N -0.866 1.0 0.0 0
M  V30 15 C -1.732 -0.4999 0.0 0
M  V30 16 C -0.866 -1.9999 0.0 0
M  V30 17 C 0.0 1.4999 0.0 0
M  V30 18 C -1.732 1.5 0.0 0
M  V30 19 C -1.732 -1.4999 0.0 0
M  V30 20 C -0.866 -2.9999 0.0 0
M  V30 21 C 0.0 2.4999 0.0 0
M  V30 22 C -1.732 2.5 0.0 0
M  V30 23 O -1.732 -3.4999 0.0 0
M  V30 24 N 0.0 -3.4999 0.0 0
M  V30 25 C -0.866 3.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 5 6
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 1 14 17
M  V30 17 1 14 18
M  V30 18 2 15 19
M  V30 19 1 16 20
M  V30 20 1 17 21
M  V30 21 1 18 22
M  V30 22 2 20 23
M  V30 23 1 20 24
M  V30 24 1 21 25
M  V30 25 1 16 19
M  V30 26 1 22 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000068419379

>  <name>
NA

>  <smiles>
NC(=O)c1ccc(N2CCCCC2)c(NC(=O)CNCC(F)(F)F)c1

$$$$
ZINC001481971491
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 10.3923 -0.75 0.0 0
M  V30 2 C 9.0932 0.0 0.0 0
M  V30 3 N 7.7942 -0.75 0.0 0
M  V30 4 N 9.0932 1.4999 0.0 0
M  V30 5 C 6.4951 0.0 0.0 0
M  V30 6 O 6.4951 1.5 0.0 0
M  V30 7 C 5.1961 -0.75 0.0 0
M  V30 8 N 3.8971 0.0 0.0 0
M  V30 9 C 2.598 -0.75 0.0 0
M  V30 10 C 1.299 0.0 0.0 0
M  V30 11 C 0.0 -0.75 0.0 0 CFG=2
M  V30 12 C -1.299 0.0 0.0 0
M  V30 13 C 0.0 -2.2499 0.0 0
M  V30 14 N -2.598 -0.7499 0.0 0
M  V30 15 C -1.299 -2.9999 0.0 0
M  V30 16 C -3.8971 0.0 0.0 0
M  V30 17 C -2.598 -2.2499 0.0 0
M  V30 18 O -3.8971 1.5 0.0 0
M  V30 19 C -5.1961 -0.7499 0.0 0
M  V30 20 C -6.4951 0.0 0.0 0
M  V30 21 C -7.7942 -0.7499 0.0 0
M  V30 22 N -9.1645 -0.1398 0.0 0
M  V30 23 C -7.951 -2.2417 0.0 0
M  V30 24 C -10.1682 -1.2546 0.0 0
M  V30 25 C -9.4182 -2.5536 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 11 10 CFG=1
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 19 20 CFG=2
M  V30 20 1 20 21
M  V30 21 1 21 22
M  V30 22 2 21 23
M  V30 23 1 22 24
M  V30 24 1 23 25
M  V30 25 1 15 17
M  V30 26 2 24 25
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001481971491

>  <name>
NA

>  <smiles>
NC(=O)NC(=O)CNCCC1CCCN(C1)C(=O)C=Cc1ccc[nH]1

$$$$
ZINC001524471229
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 8.6393 0.2318 0.0 0
M  V30 2 C 7.6448 0.3364 0.0 0
M  V30 3 C 7.1448 1.2024 0.0 0
M  V30 4 C 6.9757 -0.4067 0.0 0
M  V30 5 N 6.1667 0.9945 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 O 5.1961 -1.4999 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0 CFG=2
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 1.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 3.098 1.866 0.0 0
M  V30 16 C 2.098 1.866 0.0 0
M  V30 17 O 0.866 1.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 N -0.9135 -0.0932 0.0 0
M  V30 20 C -0.1045 -1.4945 0.0 0
M  V30 21 C -1.5826 -0.8364 0.0 0
M  V30 22 C -1.0826 -1.7024 0.0 0
M  V30 23 C -2.5771 -0.7318 0.0 0
M  V30 24 O -2.9839 0.1816 0.0 0
M  V30 25 N -3.1649 -1.5408 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 11 10
M  V30 11 1 11 12 CFG=3
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 14 18
M  V30 18 1 18 19
M  V30 19 2 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 23 24
M  V30 24 1 23 25
M  V30 25 1 5 6
M  V30 26 1 15 16
M  V30 27 2 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001524471229

>  <name>
NA

>  <smiles>
NC(=O)c1ccc([nH]1)C(=O)NC(CNC(=O)c1cc(F)c[nH]1)C1CC1

$$$$
ZINC000818609815
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 4.3301 -4.9999 0.0 0
M  V30 2 C 3.4641 -4.5 0.0 0
M  V30 3 C 3.4641 -3.5 0.0 0
M  V30 4 C 2.598 -5.0 0.0 0
M  V30 5 C 2.598 -3.0 0.0 0
M  V30 6 C 1.732 -4.4999 0.0 0
M  V30 7 C 1.732 -3.5 0.0 0
M  V30 8 C 2.598 -2.0 0.0 0
M  V30 9 O 3.4641 -1.5 0.0 0
M  V30 10 C 1.732 -1.5 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 2.598 1.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 C -1.732 -1.4999 0.0 0
M  V30 23 C -2.598 0.0 0.0 0
M  V30 24 N -3.4641 -0.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 6 7
M  V30 25 1 12 13
M  V30 26 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000818609815

>  <name>
NA

>  <smiles>
CC1COC(CN1C(=O)c1cccc(CN)c1)c1cccc(Cl)c1

$$$$
ZINC001157083601
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 -1.4999 0.0 0
M  V30 2 C 5.1961 -0.5 0.0 0
M  V30 3 O 6.0621 0.0 0.0 0
M  V30 4 C 4.3301 0.0 0.0 0
M  V30 5 C 6.9282 -0.5 0.0 0
M  V30 6 N 3.4641 -0.5 0.0 0
M  V30 7 C 4.3301 1.0 0.0 0
M  V30 8 C 7.7942 0.0 0.0 0
M  V30 9 C 2.598 0.0 0.0 0
M  V30 10 C 5.1961 1.4999 0.0 0
M  V30 11 O 2.598 1.0 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 N 5.3006 2.4945 0.0 0
M  V30 14 C 6.1096 1.0932 0.0 0
M  V30 15 N 1.732 -1.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 6.2788 2.7024 0.0 0
M  V30 18 N 6.7788 1.8364 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 C -0.866 0.0 0.0 0
M  V30 21 C 0.0 -1.4999 0.0 0
M  V30 22 C -1.732 -0.4999 0.0 0
M  V30 23 C -0.866 -1.9999 0.0 0
M  V30 24 O -2.598 0.0 0.0 0
M  V30 25 C -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 2 10 14
M  V30 14 1 12 15
M  V30 15 1 12 16
M  V30 16 2 13 17
M  V30 17 1 14 18
M  V30 18 1 16 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 22 24
M  V30 24 2 22 25
M  V30 25 1 17 18
M  V30 26 1 23 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001157083601

>  <name>
NA

>  <smiles>
CCOC(=O)C(Cc1c[nH]cn1)NC(=O)C(N)Cc1cccc(O)c1

$$$$
ZINC000621281187
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.7499 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 N 7.6099 2.5036 0.0 0
M  V30 6 C 5.1961 2.25 0.0 0
M  V30 7 C 3.8971 0.0 0.0 0
M  V30 8 C 6.9998 3.874 0.0 0
M  V30 9 N 5.508 3.7172 0.0 0
M  V30 10 N 3.8971 1.5 0.0 0
M  V30 11 C 2.598 -0.75 0.0 0
M  V30 12 N 7.7498 5.173 0.0 0
M  V30 13 N 1.299 0.0 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 C -1.299 0.0 0.0 0
M  V30 16 C 0.0 -2.2499 0.0 0
M  V30 17 C -1.299 1.5 0.0 0
M  V30 18 C -2.598 -0.7499 0.0 0
M  V30 19 C -1.299 -2.9999 0.0 0
M  V30 20 C 0.0 2.2499 0.0 0
M  V30 21 C -2.598 2.25 0.0 0
M  V30 22 C -2.598 -2.2499 0.0 0
M  V30 23 C 0.0 3.7499 0.0 0
M  V30 24 C -2.598 3.75 0.0 0
M  V30 25 C -1.299 4.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 17 21
M  V30 21 1 18 22
M  V30 22 1 20 23
M  V30 23 2 21 24
M  V30 24 2 23 25
M  V30 25 1 7 10
M  V30 26 1 8 9
M  V30 27 1 19 22
M  V30 28 1 24 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000621281187

>  <name>
NA

>  <smiles>
N=c1nc2[nH]c(CNC3CCCCC3c3ccccc3)cc(=O)n2[nH]1

$$$$
ZINC000346309758
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 9.0932 -3.0 0.0 0
M  V30 2 C 7.7942 -2.2499 0.0 0
M  V30 3 N 7.7942 -0.75 0.0 0
M  V30 4 C 6.4951 -2.9999 0.0 0
M  V30 5 C 6.4951 0.0 0.0 0
M  V30 6 C 5.1961 -2.25 0.0 0
M  V30 7 C 5.1961 -0.75 0.0 0
M  V30 8 C 3.8971 0.0 0.0 0
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 1.299 0.0 0.0 0
M  V30 11 O 1.299 1.5 0.0 0
M  V30 12 C 0.0 -0.75 0.0 0
M  V30 13 N -1.3703 -0.1398 0.0 0
M  V30 14 C -0.1567 -2.2417 0.0 0
M  V30 15 N -2.374 -1.2546 0.0 0
M  V30 16 C -1.6821 1.3273 0.0 0
M  V30 17 C -1.624 -2.5536 0.0 0
M  V30 18 C -0.5674 2.331 0.0 0
M  V30 19 C -3.1087 1.7908 0.0 0
M  V30 20 C -2.2341 -3.9239 0.0 0
M  V30 21 C -0.8793 3.7982 0.0 0
M  V30 22 C -3.4206 3.258 0.0 0
M  V30 23 C -3.4476 -4.8056 0.0 0
M  V30 24 C -2.0773 -5.4157 0.0 0
M  V30 25 C -2.3059 4.2617 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 2 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 1 20 23
M  V30 23 1 20 24
M  V30 24 2 21 25
M  V30 25 1 6 7
M  V30 26 2 15 17
M  V30 27 1 22 25
M  V30 28 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000346309758

>  <name>
NA

>  <smiles>
O=C(NCc1ccc(=O)[nH]c1)c1cc(nn1-c1ccccc1)C1CC1

$$$$
ZINC000055737451
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 3.6296 3.8476 0.0 0
M  V30 2 C 3.3206 2.8966 0.0 0
M  V30 3 C 3.9897 2.1534 0.0 0
M  V30 4 C 2.3424 2.6887 0.0 0
M  V30 5 C 3.6807 1.2024 0.0 0
M  V30 6 C 2.0334 1.7376 0.0 0
M  V30 7 C 2.7026 0.9945 0.0 0
M  V30 8 C 4.1807 0.3364 0.0 0
M  V30 9 C 2.598 0.0 0.0 0
M  V30 10 C 3.5116 -0.4067 0.0 0
M  V30 11 N 1.732 -0.5 0.0 0
M  V30 12 C 0.866 0.0 0.0 0
M  V30 13 O 0.866 1.0 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0
M  V30 15 C -0.866 0.0 0.0 0
M  V30 16 C 0.0 -1.4999 0.0 0
M  V30 17 C -1.732 -0.4999 0.0 0
M  V30 18 C -0.866 1.0 0.0 0
M  V30 19 C -0.866 -1.9999 0.0 0
M  V30 20 N -1.732 -1.4999 0.0 0
M  V30 21 C -2.598 0.0 0.0 0
M  V30 22 C -1.732 1.5 0.0 0
M  V30 23 O -0.866 -2.9999 0.0 0
M  V30 24 C -2.598 1.0 0.0 0
M  V30 25 F -3.4641 1.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 2 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 17 21
M  V30 21 2 18 22
M  V30 22 2 19 23
M  V30 23 2 21 24
M  V30 24 1 24 25
M  V30 25 1 6 7
M  V30 26 1 9 10
M  V30 27 1 19 20
M  V30 28 1 22 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000055737451

>  <name>
NA

>  <smiles>
OC(NC1CCc2cc(Cl)ccc12)c1cc(=O)[nH]c2cc(F)ccc12

$$$$
ZINC000423852195
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 4.3301 -4.9999 0.0 0
M  V30 2 C 3.4641 -4.5 0.0 0
M  V30 3 C 3.4641 -3.5 0.0 0
M  V30 4 C 2.598 -5.0 0.0 0
M  V30 5 C 2.598 -3.0 0.0 0
M  V30 6 C 1.732 -4.4999 0.0 0
M  V30 7 C 1.732 -3.5 0.0 0
M  V30 8 C 2.598 -2.0 0.0 0
M  V30 9 O 3.4641 -1.5 0.0 0
M  V30 10 C 1.732 -1.5 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 2.598 1.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 N -1.732 -1.4999 0.0 0
M  V30 23 C -2.598 0.0 0.0 0
M  V30 24 N -3.4641 -0.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 6 7
M  V30 25 1 12 13
M  V30 26 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000423852195

>  <name>
NA

>  <smiles>
CC1COC(CN1C(=O)c1ccnc(CN)c1)c1cccc(Cl)c1

$$$$
ZINC001363294759
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -3.0 0.0 0
M  V30 2 C 2.598 -1.9999 0.0 0
M  V30 3 N 3.4641 -1.4999 0.0 0
M  V30 4 C 1.732 -1.4999 0.0 0
M  V30 5 N 4.4151 -1.809 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 C 5.0029 -0.9999 0.0 0
M  V30 9 N 4.4151 -0.1909 0.0 0
M  V30 10 N 2.598 0.0 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 N 6.0029 -0.9999 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C -0.866 0.0 0.0 0
M  V30 15 C 0.0 -1.4999 0.0 0
M  V30 16 C -1.732 -0.4999 0.0 0 CFG=1
M  V30 17 C -0.866 -1.9999 0.0 0
M  V30 18 O -2.598 -0.9999 0.0 0
M  V30 19 C -1.732 -1.4999 0.0 0
M  V30 20 C -2.598 0.0 0.0 0
M  V30 21 C -2.598 1.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 16 14
M  V30 16 1 15 17
M  V30 17 1 16 18 CFG=3
M  V30 18 1 16 19
M  V30 19 1 16 20
M  V30 20 1 20 21
M  V30 21 1 7 10
M  V30 22 1 8 9
M  V30 23 1 17 19
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 16)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001363294759

>  <name>
NA

>  <smiles>
CCC1(O)CCCN(Cc2cc(=O)n3[nH]c(=N)nc3[nH]2)C1

$$$$
ZINC001654539812
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.8971 6.0 0.0 0
M  V30 2 C 3.8971 4.5 0.0 0
M  V30 3 C 2.598 3.75 0.0 0
M  V30 4 C 5.1961 3.75 0.0 0
M  V30 5 C 2.598 2.25 0.0 0
M  V30 6 C 5.1961 2.25 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 3.8971 0.0 0.0 0 CFG=1
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 5.1961 -0.75 0.0 0
M  V30 11 C 1.299 0.0 0.0 0
M  V30 12 O 6.4951 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 N -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.2499 0.0 0
M  V30 16 C -2.598 -0.7499 0.0 0
M  V30 17 C -1.299 -2.9999 0.0 0
M  V30 18 N -4.0246 -0.2864 0.0 0
M  V30 19 N -2.598 -2.2499 0.0 0
M  V30 20 O -1.299 -4.4999 0.0 0
M  V30 21 C -4.9063 -1.4999 0.0 0
M  V30 22 N -4.0246 -2.7135 0.0 0
M  V30 23 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 7
M  V30 8 1 8 9 CFG=3
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 21 23
M  V30 23 1 6 7
M  V30 24 1 17 19
M  V30 25 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001654539812

>  <name>
NA

>  <smiles>
OCC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccc(F)cc1

$$$$
ZINC001321143944
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 5.1961 1.4999 0.0 0
M  V30 2 C 6.0621 1.0 0.0 0
M  V30 3 C 6.0621 0.0 0.0 0
M  V30 4 C 6.9282 1.5 0.0 0
M  V30 5 N 5.1961 -0.5 0.0 0
M  V30 6 C 6.9282 -0.4999 0.0 0
M  V30 7 C 7.7942 1.0 0.0 0
M  V30 8 N 4.3301 0.0 0.0 0
M  V30 9 C 5.1961 -1.4999 0.0 0
M  V30 10 C 7.7942 0.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 O 6.0621 -1.9999 0.0 0
M  V30 13 C 4.3301 -1.9999 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 C 3.4641 -1.4999 0.0 0
M  V30 16 O 2.598 1.0 0.0 0
M  V30 17 N 1.732 -0.5 0.0 0
M  V30 18 C 0.866 0.0 0.0 0
M  V30 19 C 1.732 -1.5 0.0 0
M  V30 20 C 0.0 -0.5 0.0 0
M  V30 21 N -0.9135 -0.0932 0.0 0
M  V30 22 N -0.1045 -1.4945 0.0 0
M  V30 23 N -1.5826 -0.8364 0.0 0
M  V30 24 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 2 6 10
M  V30 10 2 8 11
M  V30 11 2 9 12
M  V30 12 1 9 13
M  V30 13 1 11 14
M  V30 14 1 11 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 20 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 1 7 10
M  V30 25 2 13 15
M  V30 26 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001321143944

>  <name>
NA

>  <smiles>
CN(Cc1nc[nH]n1)C(=O)c1ccc(=O)n(n1)-c1ccccc1F

$$$$
ZINC000906720625
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.8985 3.4487 0.0 0
M  V30 2 C 6.3985 2.5826 0.0 0
M  V30 3 N 5.404 2.4781 0.0 0
M  V30 4 N 6.8053 1.6691 0.0 0
M  V30 5 C 5.1961 1.5 0.0 0
M  V30 6 C 4.7349 3.2212 0.0 0
M  V30 7 C 6.0621 1.0 0.0 0
M  V30 8 C 7.7834 1.4612 0.0 0
M  V30 9 C 4.3301 1.0 0.0 0
M  V30 10 C 6.0621 0.0 0.0 0
M  V30 11 C 4.3301 0.0 0.0 0
M  V30 12 C 5.1961 -0.4999 0.0 0
M  V30 13 N 3.4641 -0.5 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 O 2.598 1.0 0.0 0
M  V30 16 C 1.732 -0.5 0.0 0
M  V30 17 O 1.732 -1.5 0.0 0
M  V30 18 N 0.866 0.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 C -0.9135 -0.0932 0.0 0
M  V30 21 C -0.1045 -1.4945 0.0 0
M  V30 22 N -1.5826 -0.8364 0.0 0
M  V30 23 C -2.2814 -0.2602 0.0 0
M  V30 24 C -1.0826 -1.7024 0.0 0
M  V30 25 C -2.3859 -1.2547 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 20 23
M  V30 23 1 21 24
M  V30 24 1 23 25
M  V30 25 2 5 7
M  V30 26 1 11 12
M  V30 27 1 22 24
M  V30 28 1 24 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000906720625

>  <name>
NA

>  <smiles>
Cn1c2ccc(NC(=O)C(=O)NC3CC4CCC3N4)cc2n(C)c1=O

$$$$
ZINC001559698380
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 9.0932 -4.5 0.0 0
M  V30 2 C 9.0932 -3.0 0.0 0
M  V30 3 N 10.3923 -2.25 0.0 0
M  V30 4 C 7.7942 -2.2499 0.0 0
M  V30 5 N 11.8188 -2.7135 0.0 0
M  V30 6 C 10.3923 -0.75 0.0 0
M  V30 7 C 7.7942 -0.75 0.0 0
M  V30 8 C 12.7005 -1.5 0.0 0
M  V30 9 N 11.8188 -0.2864 0.0 0
M  V30 10 N 9.0932 0.0 0.0 0
M  V30 11 C 6.4951 0.0 0.0 0
M  V30 12 N 14.2005 -1.5 0.0 0
M  V30 13 N 5.1961 -0.75 0.0 0
M  V30 14 C 3.8971 0.0 0.0 0 CFG=2
M  V30 15 C 3.8971 1.5 0.0 0
M  V30 16 C 2.598 -0.75 0.0 0
M  V30 17 C 5.1961 2.25 0.0 0
M  V30 18 C 2.598 2.2499 0.0 0
M  V30 19 C 1.299 0.0 0.0 0
M  V30 20 C 5.1961 3.75 0.0 0
M  V30 21 C 2.598 3.75 0.0 0
M  V30 22 O 0.0 -0.75 0.0 0
M  V30 23 C 3.8971 4.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13 CFG=1
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 7 10
M  V30 24 1 8 9
M  V30 25 1 21 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001559698380

>  <name>
NA

>  <smiles>
OCCC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccccc1

$$$$
ZINC001210822779
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 21 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 4.3301 -1.9999 0.0 0
M  V30 2 C 3.4641 -1.4999 0.0 0
M  V30 3 N 3.4641 -0.5 0.0 0
M  V30 4 C 2.598 -1.9999 0.0 0
M  V30 5 C 2.598 0.0 0.0 0
M  V30 6 C 1.732 -1.5 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 N 0.866 -1.9999 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C 0.0 -0.5 0.0 0
M  V30 11 C -0.866 0.0 0.0 0
M  V30 12 C 0.0 -1.4999 0.0 0
M  V30 13 C -1.732 -0.4999 0.0 0
M  V30 14 C -0.866 -1.9999 0.0 0
M  V30 15 O -2.598 0.0 0.0 0
M  V30 16 C -1.732 -1.4999 0.0 0
M  V30 17 C -0.866 -2.9999 0.0 0
M  V30 18 F 0.1339 -2.9999 0.0 0
M  V30 19 F -0.866 -3.9999 0.0 0
M  V30 20 F -1.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 2 5 7
M  V30 7 2 6 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 2 12 14
M  V30 14 1 13 15
M  V30 15 2 13 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 17 20
M  V30 20 1 6 7
M  V30 21 1 14 16
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001210822779

>  <name>
NA

>  <smiles>
Oc1cc(Nc2c[nH]c(Cl)cc2=N)cc(c1)C(F)(F)F

$$$$
ZINC001363228586
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.7499 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 N 7.6099 2.5036 0.0 0
M  V30 6 C 5.1961 2.25 0.0 0
M  V30 7 C 3.8971 0.0 0.0 0
M  V30 8 C 6.9998 3.874 0.0 0
M  V30 9 N 5.508 3.7172 0.0 0
M  V30 10 N 3.8971 1.5 0.0 0
M  V30 11 C 2.598 -0.75 0.0 0
M  V30 12 N 7.7498 5.173 0.0 0
M  V30 13 N 1.299 0.0 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 C -1.3703 -0.1398 0.0 0
M  V30 16 C -0.1567 -2.2417 0.0 0
M  V30 17 C -2.374 -1.2546 0.0 0
M  V30 18 C -1.6821 1.3273 0.0 0
M  V30 19 C -1.624 -2.5536 0.0 0
M  V30 20 C -0.5674 2.331 0.0 0
M  V30 21 O -0.8793 3.7982 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 1 7 10
M  V30 22 1 8 9
M  V30 23 1 17 19
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001363228586

>  <name>
NA

>  <smiles>
OCCC1CCCC1NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC000680347991
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S -0.891 1.0432 0.0 0
M  V30 2 C -0.0523 0.4986 0.0 0
M  V30 3 C -0.6321 2.0091 0.0 0
M  V30 4 N 0.7248 1.1279 0.0 0
M  V30 5 C 0.0 -0.5 0.0 0
M  V30 6 C 0.3664 2.0615 0.0 0
M  V30 7 N 0.866 0.0 0.0 0
M  V30 8 C -0.1045 -1.4945 0.0 0
M  V30 9 C -0.9135 -0.0932 0.0 0
M  V30 10 C 0.911 2.9002 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0
M  V30 12 C -1.0826 -1.7024 0.0 0
M  V30 13 C -1.5826 -0.8364 0.0 0
M  V30 14 O 2.598 0.0 0.0 0
M  V30 15 C 1.732 -1.5 0.0 0
M  V30 16 C 2.598 -1.9999 0.0 0
M  V30 17 C 0.866 -1.9999 0.0 0
M  V30 18 C 2.598 -2.9999 0.0 0
M  V30 19 C 0.866 -3.0 0.0 0
M  V30 20 O 3.4641 -3.4999 0.0 0
M  V30 21 N 1.732 -3.5 0.0 0
M  V30 22 C 0.0 -3.5 0.0 0
M  V30 23 C -0.866 -3.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 8 12
M  V30 12 1 9 13
M  V30 13 2 11 14
M  V30 14 1 11 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 22 23
M  V30 23 1 4 6
M  V30 24 1 12 13
M  V30 25 1 19 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000680347991

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1nc(C)cs1

$$$$
ZINC000119756275
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.0621 -2.0 0.0 0
M  V30 2 C 5.1961 -1.5 0.0 0
M  V30 3 C 5.1961 -0.5 0.0 0
M  V30 4 C 4.3301 -1.9999 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0
M  V30 6 C 3.4641 -1.4999 0.0 0
M  V30 7 N 4.3301 0.9999 0.0 0
M  V30 8 C 3.4641 -0.4999 0.0 0
M  V30 9 C 3.4641 1.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 O 3.4641 2.5 0.0 0
M  V30 12 C 2.598 0.9999 0.0 0
M  V30 13 C 1.732 -0.5 0.0 0 CFG=2
M  V30 14 O 1.732 -1.5 0.0 0
M  V30 15 N 0.866 0.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 C -0.2588 0.4659 0.0 0
M  V30 18 C -0.4999 -1.366 0.0 0
M  V30 19 C -0.9999 -0.5 0.0 0
M  V30 20 O -1.2247 0.7247 0.0 0
M  V30 21 N 0.4482 1.173 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 13 10
M  V30 13 1 13 14 CFG=3
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 17 21
M  V30 21 1 6 8
M  V30 22 2 10 12
M  V30 23 1 18 19
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000119756275

>  <name>
NA

>  <smiles>
NC(=O)C1(CC1)NC(O)c1cc(=O)[nH]c2cc(F)ccc12

$$$$
ZINC001499315093
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 9.0461 -0.6816 0.0 0
M  V30 2 C 8.6393 0.2318 0.0 0
M  V30 3 F 9.2271 1.0408 0.0 0
M  V30 4 C 7.6448 0.3364 0.0 0
M  V30 5 N 7.1448 1.2024 0.0 0
M  V30 6 C 6.9757 -0.4067 0.0 0
M  V30 7 N 6.1667 0.9945 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 C 5.1961 -0.5 0.0 0
M  V30 10 O 5.1961 -1.4999 0.0 0
M  V30 11 N 4.3301 0.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 C 3.4641 -1.5 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 4.3301 -2.0 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 O 0.866 1.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 N -0.9135 -0.0932 0.0 0
M  V30 21 C -0.1045 -1.4945 0.0 0
M  V30 22 C -1.5826 -0.8364 0.0 0
M  V30 23 N -1.0826 -1.7024 0.0 0
M  V30 24 O -2.5771 -0.7318 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 4 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 2 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 2 7 8
M  V30 25 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001499315093

>  <name>
NA

>  <smiles>
CCC(CNC(O)c1c[nH]c(=O)[nH]1)NC(=O)c1cc([nH]n1)C(F)F

$$$$
ZINC000848314152
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 5.5621 0.866 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 F 6.9282 0.4999 0.0 0
M  V30 4 F 6.5621 -0.866 0.0 0
M  V30 5 C 5.1961 -0.5 0.0 0
M  V30 6 C 4.3301 0.0 0.0 0
M  V30 7 C 5.1961 -1.4999 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0
M  V30 9 C 4.3301 -1.9999 0.0 0
M  V30 10 C 3.4641 -1.4999 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 O 2.598 1.0 0.0 0
M  V30 13 C 1.732 -0.5 0.0 0
M  V30 14 O 1.732 -1.5 0.0 0
M  V30 15 N 0.866 0.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 C -0.9135 -0.0932 0.0 0
M  V30 18 C -0.1045 -1.4945 0.0 0
M  V30 19 C -1.5826 -0.8364 0.0 0
M  V30 20 C -1.2225 0.8577 0.0 0
M  V30 21 O 0.6386 -2.1636 0.0 0
M  V30 22 C -1.0826 -1.7024 0.0 0
M  V30 23 C -2.5608 -0.6284 0.0 0
M  V30 24 C -2.2007 1.0657 0.0 0
M  V30 25 C -2.8698 0.3225 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 18 22
M  V30 22 1 19 23
M  V30 23 2 20 24
M  V30 24 2 23 25
M  V30 25 1 9 10
M  V30 26 1 19 22
M  V30 27 1 24 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000848314152

>  <name>
NA

>  <smiles>
OC(C(=O)NC1C(O)Cc2ccccc12)c1cccc(c1)C(F)(F)F

$$$$
ZINC001364329520
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 2.5 0.0 0
M  V30 2 C 6.0621 3.0 0.0 0
M  V30 3 N 6.0621 4.0 0.0 0
M  V30 4 C 5.1961 2.5 0.0 0
M  V30 5 N 6.8053 4.6691 0.0 0
M  V30 6 C 5.1961 4.5 0.0 0
M  V30 7 C 4.3301 3.0 0.0 0
M  V30 8 C 6.3985 5.5826 0.0 0
M  V30 9 N 5.404 5.4781 0.0 0
M  V30 10 N 4.3301 4.0 0.0 0
M  V30 11 C 3.4641 2.5 0.0 0
M  V30 12 N 6.8985 6.4487 0.0 0
M  V30 13 N 3.4641 1.5 0.0 0
M  V30 14 C 2.598 1.0 0.0 0
M  V30 15 C 4.3301 1.0 0.0 0
M  V30 16 C 2.598 0.0 0.0 0 CFG=2
M  V30 17 C 4.3301 0.0 0.0 0
M  V30 18 C 3.4641 -0.4999 0.0 0
M  V30 19 C 1.732 -0.5 0.0 0
M  V30 20 C 0.866 0.0 0.0 0
M  V30 21 O 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 16 14
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 16 19 CFG=3
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 1 7 10
M  V30 22 1 8 9
M  V30 23 1 17 18
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 16)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001364329520

>  <name>
NA

>  <smiles>
OCCC1CCCN(Cc2cc(=O)n3[nH]c(=N)nc3[nH]2)C1

$$$$
ZINC000844116467
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.4641 2.5 0.0 0
M  V30 2 C 3.4641 2.5 0.0 0
M  V30 3 F 3.4641 3.5 0.0 0
M  V30 4 F 4.4641 2.5 0.0 0
M  V30 5 C 3.4641 1.5 0.0 0
M  V30 6 C 2.598 1.0 0.0 0
M  V30 7 C 4.3301 1.0 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 C 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.4999 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0
M  V30 12 O 1.732 -1.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 O 0.866 1.0 0.0 0
M  V30 15 N 0.0 -0.5 0.0 0
M  V30 16 C -0.866 0.0 0.0 0
M  V30 17 C 0.0 -1.4999 0.0 0
M  V30 18 C -1.732 -0.4999 0.0 0
M  V30 19 C -0.866 -1.9999 0.0 0
M  V30 20 O -2.598 0.0 0.0 0
M  V30 21 C -1.732 -1.4999 0.0 0
M  V30 22 C -0.866 -2.9999 0.0 0
M  V30 23 O 0.0 -3.4999 0.0 0
M  V30 24 O -1.732 -3.4999 0.0 0
M  V30 25 C -1.732 -4.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 22 23
M  V30 23 1 22 24
M  V30 24 1 24 25
M  V30 25 1 9 10
M  V30 26 1 19 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000844116467

>  <name>
NA

>  <smiles>
COC(=O)C1CC(O)CN(C1)C(=O)C(O)c1cccc(c1)C(F)(F)F

$$$$
ZINC001364517338
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 5.9461 0.549 0.0 0
M  V30 2 C 5.1961 -0.75 0.0 0
M  V30 3 F 6.4951 -1.5 0.0 0
M  V30 4 F 4.4461 -2.049 0.0 0
M  V30 5 C 3.8971 0.0 0.0 0
M  V30 6 N 2.598 -0.75 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 1.299 0.0 0.0 0
M  V30 9 C 5.1106 2.3816 0.0 0
M  V30 10 C 2.6835 2.3816 0.0 0
M  V30 11 C 0.0 -0.75 0.0 0
M  V30 12 O 4.6471 3.8082 0.0 0
M  V30 13 C 3.1471 3.8082 0.0 0
M  V30 14 N -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.2499 0.0 0
M  V30 16 C -2.598 -0.7499 0.0 0
M  V30 17 C -1.299 -2.9999 0.0 0
M  V30 18 N -4.0246 -0.2864 0.0 0
M  V30 19 N -2.598 -2.2499 0.0 0
M  V30 20 O -1.299 -4.4999 0.0 0
M  V30 21 C -4.9063 -1.4999 0.0 0
M  V30 22 N -4.0246 -2.7135 0.0 0
M  V30 23 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 1 7 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 2 11 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 21 23
M  V30 23 1 12 13
M  V30 24 1 17 19
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001364517338

>  <name>
NA

>  <smiles>
FC(F)(F)C(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)C1CCOC1

$$$$
ZINC000358396994
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.9535 -2.6159 0.0 0
M  V30 2 C 4.5467 -1.7024 0.0 0
M  V30 3 N 5.0467 -0.8364 0.0 0
M  V30 4 N 3.5686 -1.4945 0.0 0
M  V30 5 C 4.3776 -0.0932 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0
M  V30 7 O 4.5855 0.8848 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 C 1.732 -0.5 0.0 0
M  V30 10 O 1.732 -1.5 0.0 0
M  V30 11 N 0.866 0.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 N -0.9135 -0.0932 0.0 0
M  V30 14 C -0.1045 -1.4945 0.0 0
M  V30 15 N -1.5826 -0.8364 0.0 0
M  V30 16 C -1.1214 0.8848 0.0 0
M  V30 17 C -1.0826 -1.7024 0.0 0
M  V30 18 C -0.3783 1.554 0.0 0
M  V30 19 C -2.0725 1.1939 0.0 0
M  V30 20 C -1.4894 -2.6159 0.0 0
M  V30 21 C -0.5862 2.5321 0.0 0
M  V30 22 C -2.2804 2.172 0.0 0
M  V30 23 C -2.2984 -3.2037 0.0 0
M  V30 24 C -1.3848 -3.6105 0.0 0
M  V30 25 C -1.5372 2.8411 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 2 11 12 CFG=2
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 1 20 23
M  V30 23 1 20 24
M  V30 24 2 21 25
M  V30 25 2 5 6
M  V30 26 1 15 17
M  V30 27 1 22 25
M  V30 28 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000358396994

>  <name>
NA

>  <smiles>
Oc1[nH]c(=O)[nH]c1CC(=O)N=c1cc([nH]n1-c1ccccc1)C1CC1

$$$$
ZINC001210825759
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 21 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.598 -2.9999 0.0 0
M  V30 2 C 2.598 -3.0 0.0 0
M  V30 3 F 2.598 -4.0 0.0 0
M  V30 4 F 1.598 -3.0 0.0 0
M  V30 5 C 2.598 -1.9999 0.0 0
M  V30 6 C 3.4641 -1.5 0.0 0
M  V30 7 C 1.732 -1.5 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0
M  V30 9 C 1.732 -0.5 0.0 0
M  V30 10 O 4.3301 0.0 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 N 0.866 0.0 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0
M  V30 14 C -0.866 0.0 0.0 0
M  V30 15 C 0.0 -1.4999 0.0 0
M  V30 16 O -0.866 1.0 0.0 0
M  V30 17 C -1.732 -0.4999 0.0 0
M  V30 18 C -0.866 -1.9999 0.0 0
M  V30 19 C -1.732 -1.4999 0.0 0
M  V30 20 O -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 1 8 10
M  V30 10 2 8 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 2 17 19
M  V30 19 1 19 20
M  V30 20 1 9 11
M  V30 21 1 18 19
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001210825759

>  <name>
NA

>  <smiles>
Oc1ccc(Nc2cc(O)cc(c2)C(F)(F)F)c(O)c1

$$$$
ZINC000332352119
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 1.732 1.4999 0.0 0
M  V30 2 C 2.598 1.0 0.0 0
M  V30 3 C 2.598 0.0 0.0 0
M  V30 4 C 3.4641 1.4999 0.0 0
M  V30 5 N 1.732 -0.5 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0
M  V30 7 C 4.3301 1.0 0.0 0
M  V30 8 C 0.866 0.0 0.0 0
M  V30 9 C 4.3301 0.0 0.0 0
M  V30 10 O 0.866 1.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C -0.866 0.0 0.0 0
M  V30 13 C 0.0 -1.4999 0.0 0
M  V30 14 C -1.732 -0.4999 0.0 0
M  V30 15 C -0.866 1.0 0.0 0
M  V30 16 C -0.866 -1.9999 0.0 0
M  V30 17 N -1.732 -1.4999 0.0 0
M  V30 18 C -2.598 0.0 0.0 0
M  V30 19 C -1.732 1.5 0.0 0
M  V30 20 O -0.866 -2.9999 0.0 0
M  V30 21 C -2.598 1.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 11 12
M  V30 12 2 11 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 14 18
M  V30 18 2 15 19
M  V30 19 2 16 20
M  V30 20 2 18 21
M  V30 21 1 7 9
M  V30 22 1 16 17
M  V30 23 1 19 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000332352119

>  <name>
NA

>  <smiles>
OC(NC1CCCCC1F)c1cc(=O)[nH]c2ccccc12

$$$$
ZINC000897371058
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.0412 -0.7318 0.0 0
M  V30 2 C 5.0467 -0.8364 0.0 0
M  V30 3 N 4.3776 -0.0932 0.0 0
M  V30 4 C 4.5467 -1.7024 0.0 0
M  V30 5 C 3.4641 -0.5 0.0 0
M  V30 6 C 3.5686 -1.4945 0.0 0
M  V30 7 C 4.8557 -2.6534 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 C 2.8994 -2.2376 0.0 0
M  V30 10 C 4.1866 -3.3966 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0
M  V30 12 C 3.2085 -3.1887 0.0 0
M  V30 13 O 1.732 -1.5 0.0 0
M  V30 14 N 0.866 0.0 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 C -0.9135 -0.0932 0.0 0
M  V30 17 C -0.1045 -1.4945 0.0 0
M  V30 18 C 0.8386 -1.0446 0.0 0
M  V30 19 O -1.5826 -0.8364 0.0 0
M  V30 20 C -1.1214 0.8848 0.0 0
M  V30 21 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 2 7 10
M  V30 10 1 8 11
M  V30 11 2 9 12
M  V30 12 2 11 13
M  V30 13 1 11 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 16 20
M  V30 20 1 17 21
M  V30 21 1 5 6
M  V30 22 1 10 12
M  V30 23 1 19 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000897371058

>  <name>
NA

>  <smiles>
CC1OCCC1(C)NC(=O)CC1NC(=O)c2ccccc12

$$$$
ZINC000454067720
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 11.199 -1.0 0.0 0
M  V30 2 C 10.199 -1.0 0.0 0
M  V30 3 N 9.6113 -0.1909 0.0 0
M  V30 4 N 9.6113 -1.809 0.0 0
M  V30 5 C 8.6602 -0.5 0.0 0
M  V30 6 C 9.9203 0.76 0.0 0
M  V30 7 C 8.6602 -1.5 0.0 0
M  V30 8 C 9.9203 -2.76 0.0 0
M  V30 9 C 7.7942 0.0 0.0 0
M  V30 10 C 7.7942 -2.0 0.0 0
M  V30 11 C 6.9282 -0.5 0.0 0
M  V30 12 C 6.9282 -1.4999 0.0 0
M  V30 13 N 6.0621 0.0 0.0 0
M  V30 14 C 5.1961 -0.5 0.0 0
M  V30 15 O 5.1961 -1.4999 0.0 0
M  V30 16 C 4.3301 0.0 0.0 0
M  V30 17 O 4.3301 1.0 0.0 0
M  V30 18 N 3.4641 -0.5 0.0 0
M  V30 19 C 2.598 0.0 0.0 0
M  V30 20 C 1.732 -0.5 0.0 0
M  V30 21 C 2.598 1.0 0.0 0
M  V30 22 O 1.732 -1.5 0.0 0
M  V30 23 C 0.866 0.0 0.0 0
M  V30 24 C 1.732 1.5 0.0 0
M  V30 25 C 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 20 23
M  V30 23 1 21 24
M  V30 24 1 23 25
M  V30 25 2 5 7
M  V30 26 1 11 12
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000454067720

>  <name>
NA

>  <smiles>
CCC(O)C(CC)NC(=O)C(=O)Nc1ccc2n(C)c(=O)n(C)c2c1

$$$$
ZINC001131672242
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 8.6602 -0.5 0.0 0
M  V30 2 C 7.7942 0.0 0.0 0
M  V30 3 N 7.7942 0.9999 0.0 0
M  V30 4 C 6.9282 -0.5 0.0 0
M  V30 5 C 6.9282 1.4999 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 6.0621 1.0 0.0 0
M  V30 8 C 6.9282 2.5 0.0 0
M  V30 9 C 5.1961 -0.5 0.0 0
M  V30 10 C 6.0621 3.0 0.0 0
M  V30 11 O 5.1961 -1.4999 0.0 0
M  V30 12 N 4.3301 0.0 0.0 0
M  V30 13 C 3.4641 -0.5 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 C -1.732 -1.4999 0.0 0
M  V30 23 C -2.598 -1.9999 0.0 0
M  V30 24 O -2.598 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 22 23
M  V30 23 1 23 24
M  V30 24 1 6 7
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001131672242

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NCCNCc1ccc(CO)cc1

$$$$
ZINC001364517348
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 5.9461 0.549 0.0 0
M  V30 2 C 5.1961 -0.75 0.0 0
M  V30 3 F 6.4951 -1.5 0.0 0
M  V30 4 F 4.4461 -2.049 0.0 0
M  V30 5 C 3.8971 0.0 0.0 0
M  V30 6 N 2.598 -0.75 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 1.299 0.0 0.0 0
M  V30 9 C 5.1106 2.3816 0.0 0
M  V30 10 C 2.6835 2.3816 0.0 0
M  V30 11 C 0.0 -0.75 0.0 0
M  V30 12 O 4.6471 3.8082 0.0 0
M  V30 13 C 3.1471 3.8082 0.0 0
M  V30 14 N -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.2499 0.0 0
M  V30 16 C -2.598 -0.7499 0.0 0
M  V30 17 C -1.299 -2.9999 0.0 0
M  V30 18 N -4.0246 -0.2864 0.0 0
M  V30 19 N -2.598 -2.2499 0.0 0
M  V30 20 O -1.299 -4.4999 0.0 0
M  V30 21 C -4.9063 -1.4999 0.0 0
M  V30 22 N -4.0246 -2.7135 0.0 0
M  V30 23 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 1 7 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 2 11 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 21 23
M  V30 23 1 12 13
M  V30 24 1 17 19
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001364517348

>  <name>
NA

>  <smiles>
FC(F)(F)C(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)C1CCOC1

$$$$
ZINC000914171890
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 3.1734 -2.935 0.0 0
M  V30 2 C 2.38 -2.3262 0.0 0
M  V30 3 C 2.5105 -1.3348 0.0 0
M  V30 4 C 1.4561 -2.7089 0.0 0
M  V30 5 C 1.7172 -0.726 0.0 0
M  V30 6 C 0.6628 -2.1002 0.0 0
M  V30 7 C 0.7933 -1.1087 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.9659 -0.2411 0.0 0
M  V30 11 C -0.2588 -1.4659 0.0 0
M  V30 12 C 0.866 0.9999 0.0 0
M  V30 13 C -1.2247 -1.2071 0.0 0
M  V30 14 O 1.732 1.4999 0.0 0
M  V30 15 C 0.0 1.5 0.0 0 CFG=2
M  V30 16 O -2.0907 -1.7071 0.0 0
M  V30 17 C -0.866 1.0 0.0 0
M  V30 18 C 0.0 2.5 0.0 0
M  V30 19 C -1.732 1.4999 0.0 0
M  V30 20 C -0.866 2.9999 0.0 0
M  V30 21 O -2.598 1.0 0.0 0
M  V30 22 N -1.732 2.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 2 12 14
M  V30 14 1 15 12 CFG=3
M  V30 15 1 13 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 6 7
M  V30 23 1 11 13
M  V30 24 1 20 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 15)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000914171890

>  <name>
NA

>  <smiles>
OC1CC(C1)(NC(=O)C1CCNC(=O)C1)c1ccc(Br)cc1

$$$$
ZINC000923755846
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 0.6442 4.8478 0.0 0
M  V30 2 C 1.232 4.0388 0.0 0
M  V30 3 O 2.232 4.0388 0.0 0
M  V30 4 C 0.923 3.0877 0.0 0
M  V30 5 C 2.541 3.0877 0.0 0
M  V30 6 C 1.732 2.4999 0.0 0 CFG=1
M  V30 7 N 1.732 1.4999 0.0 0
M  V30 8 C 0.866 0.9999 0.0 0
M  V30 9 O 0.0 1.5 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C 0.7933 -1.1087 0.0 0
M  V30 13 C -0.9659 -0.2411 0.0 0
M  V30 14 C -0.2588 -1.4659 0.0 0
M  V30 15 C 0.6628 -2.1002 0.0 0
M  V30 16 C 1.7172 -0.726 0.0 0
M  V30 17 C -1.2247 -1.2071 0.0 0
M  V30 18 C 1.4561 -2.7089 0.0 0
M  V30 19 C 2.5105 -1.3348 0.0 0
M  V30 20 C 2.38 -2.3262 0.0 0
M  V30 21 C 3.1734 -2.935 0.0 0
M  V30 22 N 3.9667 -3.5438 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 1 6 7 CFG=1
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 13 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 2 18 20
M  V30 20 1 20 21
M  V30 21 3 21 22
M  V30 22 1 5 6
M  V30 23 1 14 17
M  V30 24 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000923755846

>  <name>
NA

>  <smiles>
O=C(NC1COC(=O)C1)NC1(CCC1)c1ccc(cc1)C#N

$$$$
ZINC000621274345
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.38 1.0762 0.0 0
M  V30 2 C 0.9942 1.6503 0.0 0
M  V30 3 C -0.1957 0.7371 0.0 0
M  V30 4 C 0.7984 3.1374 0.0 0
M  V30 5 C -1.5816 1.3111 0.0 0
M  V30 6 C 0.0 -0.75 0.0 0
M  V30 7 C -0.5873 3.7115 0.0 0
M  V30 8 C -1.7773 2.7983 0.0 0
M  V30 9 N 1.299 0.0 0.0 0
M  V30 10 C -0.3882 -2.1988 0.0 0
M  V30 11 C -1.4488 -0.3617 0.0 0
M  V30 12 F -0.7831 5.1986 0.0 0
M  V30 13 C 2.598 -0.75 0.0 0
M  V30 14 C -1.8371 -1.8106 0.0 0
M  V30 15 C 3.8971 0.0 0.0 0
M  V30 16 N 5.1961 -0.75 0.0 0
M  V30 17 C 3.8971 1.4999 0.0 0
M  V30 18 C 6.4951 0.0 0.0 0
M  V30 19 C 5.1961 2.25 0.0 0
M  V30 20 N 7.9217 -0.4635 0.0 0
M  V30 21 N 6.4951 1.5 0.0 0
M  V30 22 O 5.1961 3.75 0.0 0
M  V30 23 C 8.8034 0.75 0.0 0
M  V30 24 N 7.9217 1.9635 0.0 0
M  V30 25 N 10.3034 0.75 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 6 11
M  V30 11 1 7 12
M  V30 12 1 9 13
M  V30 13 1 10 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 2 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 1 20 23
M  V30 23 1 21 24
M  V30 24 2 23 25
M  V30 25 1 7 8
M  V30 26 1 11 14
M  V30 27 1 19 21
M  V30 28 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000621274345

>  <name>
NA

>  <smiles>
Fc1ccc(c(F)c1)C1(CCC1)NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC000910398723
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F -1.1228 2.847 0.0 0
M  V30 2 C -0.0613 1.7855 0.0 0
M  V30 3 C 1.3886 2.174 0.0 0
M  V30 4 C -0.4498 0.3355 0.0 0
M  V30 5 C 2.4501 1.1126 0.0 0
M  V30 6 C 0.6115 -0.7259 0.0 0
M  V30 7 C 2.0473 -0.3264 0.0 0
M  V30 8 C 3.9 1.5011 0.0 0
M  V30 9 C 0.223 -2.1758 0.0 0
M  V30 10 C 3.9 0.0 0.0 0
M  V30 11 C 4.6506 2.8011 0.0 0
M  V30 12 C 3.1495 2.8011 0.0 0
M  V30 13 F -1.2269 -1.7873 0.0 0
M  V30 14 F -0.1654 -3.6258 0.0 0
M  V30 15 F 1.673 -2.5644 0.0 0
M  V30 16 O 2.6285 -0.7724 0.0 0
M  V30 17 N 5.2001 -0.7505 0.0 0
M  V30 18 C 6.5001 0.0 0.0 0
M  V30 19 C 7.8001 -0.7505 0.0 0
M  V30 20 N 9.1002 0.0 0.0 0
M  V30 21 C 7.8001 -2.2517 0.0 0
M  V30 22 C 10.4002 -0.7505 0.0 0
M  V30 23 C 9.1002 -3.0022 0.0 0
M  V30 24 C 10.4002 -2.2517 0.0 0
M  V30 25 O 9.1002 -4.5034 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 8 12
M  V30 12 1 9 13
M  V30 13 1 9 14
M  V30 14 1 9 15
M  V30 15 2 10 16
M  V30 16 1 10 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 2 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 2 23 25
M  V30 25 1 6 7
M  V30 26 1 11 12
M  V30 27 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000910398723

>  <name>
NA

>  <smiles>
Fc1cc(cc(c1)C1(CC1)C(=O)NCc1cc(=O)cc[nH]1)C(F)(F)F

$$$$
ZINC000835639180
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 7.2452 1.299 0.0 0
M  V30 2 C 6.4952 0.0 0.0 0
M  V30 3 F 5.7451 1.299 0.0 0
M  V30 4 C 5.1961 -0.75 0.0 0 CFG=2
M  V30 5 C 7.7942 -0.75 0.0 0
M  V30 6 C 5.1961 -2.25 0.0 0
M  V30 7 C 3.8971 0.0 0.0 0
M  V30 8 C 7.7942 -2.25 0.0 0
M  V30 9 C 6.4952 -3.0 0.0 0
M  V30 10 O 2.598 -0.75 0.0 0
M  V30 11 C 1.299 0.0 0.0 0
M  V30 12 O 1.299 1.5 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 N -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.25 0.0 0
M  V30 16 N -2.598 -0.75 0.0 0
M  V30 17 C -1.299 -3.0 0.0 0
M  V30 18 C -2.598 -2.25 0.0 0
M  V30 19 C -3.8971 0.0 0.0 0
M  V30 20 O -3.8971 -3.0 0.0 0
M  V30 21 C -3.8971 1.5 0.0 0
M  V30 22 C -5.1961 -0.75 0.0 0
M  V30 23 C -5.1961 2.25 0.0 0
M  V30 24 C -6.4952 0.0 0.0 0
M  V30 25 C -6.4952 1.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 4 2
M  V30 4 1 2 5
M  V30 5 1 4 6
M  V30 6 1 4 7 CFG=3
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 1 10 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 2 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 2 23 25
M  V30 25 1 8 9
M  V30 26 1 17 18
M  V30 27 1 24 25
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 4)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000835639180

>  <name>
NA

>  <smiles>
FC1(F)CCCCC1COC(=O)c1ccc(=O)n(n1)-c1ccccc1

$$$$
ZINC001370150433
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 8.6602 -0.5 0.0 0
M  V30 2 C 7.7942 0.0 0.0 0
M  V30 3 N 7.7942 0.9999 0.0 0
M  V30 4 C 6.9282 -0.5 0.0 0
M  V30 5 C 6.9282 1.4999 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 6.0621 1.0 0.0 0
M  V30 8 C 5.1961 -0.5 0.0 0
M  V30 9 O 5.1961 -1.4999 0.0 0
M  V30 10 N 4.3301 0.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 2.598 1.0 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 C 3.098 1.866 0.0 0
M  V30 17 C 2.098 1.866 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 C -0.866 0.0 0.0 0
M  V30 20 C 0.0 -1.4999 0.0 0
M  V30 21 C -1.732 -0.4999 0.0 0
M  V30 22 C -0.866 -1.9999 0.0 0
M  V30 23 C -1.732 -1.4999 0.0 0
M  V30 24 C -2.598 -1.9999 0.0 0
M  V30 25 O -2.598 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 2 21 23
M  V30 23 1 23 24
M  V30 24 1 24 25
M  V30 25 1 6 7
M  V30 26 1 16 17
M  V30 27 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001370150433

>  <name>
NA

>  <smiles>
OCc1ccc(CNC(CNC(=O)C2CCNC(=O)C2)C2CC2)cc1

$$$$
ZINC001392215027
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 8.6602 2.5 0.0 0
M  V30 2 C 8.6602 1.5 0.0 0
M  V30 3 N 7.7942 0.9999 0.0 0
M  V30 4 C 9.5262 1.0 0.0 0
M  V30 5 C 7.7942 0.0 0.0 0
M  V30 6 C 9.5262 0.0 0.0 0
M  V30 7 C 6.9282 -0.5 0.0 0
M  V30 8 C 8.6602 -0.5 0.0 0
M  V30 9 O 6.9282 -1.4999 0.0 0
M  V30 10 N 6.0621 0.0 0.0 0
M  V30 11 C 5.1961 -0.5 0.0 0
M  V30 12 C 4.3301 0.0 0.0 0
M  V30 13 N 3.4641 -0.5 0.0 0
M  V30 14 C 4.3301 1.0 0.0 0
M  V30 15 C 2.598 0.0 0.0 0
M  V30 16 C 5.1961 1.4999 0.0 0
M  V30 17 C 3.4641 1.5 0.0 0
M  V30 18 C 1.732 -0.5 0.0 0
M  V30 19 O 1.732 -1.5 0.0 0
M  V30 20 C 0.866 0.0 0.0 0
M  V30 21 N 0.0 -0.5 0.0 0
M  V30 22 N -0.9135 -0.0932 0.0 0
M  V30 23 C -0.1045 -1.4945 0.0 0
M  V30 24 C -1.5826 -0.8364 0.0 0
M  V30 25 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 2 7 9
M  V30 9 1 7 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 18 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 1 21 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 2 23 25
M  V30 25 1 6 8
M  V30 26 1 24 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001392215027

>  <name>
NA

>  <smiles>
CC(C)C(CNC(=O)c1cccc(=O)[nH]1)NCC(O)Cn1cccn1

$$$$
ZINC001329492716
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -3.0 0.0 0
M  V30 2 C 2.598 -1.9999 0.0 0
M  V30 3 N 3.4641 -1.4999 0.0 0
M  V30 4 C 1.732 -1.4999 0.0 0
M  V30 5 N 4.4151 -1.809 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 C 5.0029 -0.9999 0.0 0
M  V30 9 N 4.4151 -0.1909 0.0 0
M  V30 10 N 2.598 0.0 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 N 6.0029 -0.9999 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 C -1.1214 0.8848 0.0 0
M  V30 17 C -1.5826 -0.8364 0.0 0
M  V30 18 C -1.0826 -1.7024 0.0 0
M  V30 19 C -0.3783 1.554 0.0 0
M  V30 20 C -2.0725 1.1939 0.0 0
M  V30 21 O -1.4894 -2.6159 0.0 0
M  V30 22 C -0.5862 2.5321 0.0 0
M  V30 23 C -2.2804 2.172 0.0 0
M  V30 24 C -1.5372 2.8411 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 1 16 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 2 22 24
M  V30 24 1 7 10
M  V30 25 1 8 9
M  V30 26 1 17 18
M  V30 27 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001329492716

>  <name>
NA

>  <smiles>
OC1CC(N(Cc2cc(=O)n3[nH]c(=N)nc3[nH]2)C1)c1ccccc1

$$$$
ZINC000923753341
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.4344 -0.9521 0.0 0
M  V30 2 C 2.5105 -1.3348 0.0 0
M  V30 3 C 1.7172 -0.726 0.0 0
M  V30 4 C 2.38 -2.3262 0.0 0
M  V30 5 C 0.7933 -1.1087 0.0 0
M  V30 6 C 1.4561 -2.7089 0.0 0
M  V30 7 C 0.6628 -2.1002 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.9659 -0.2411 0.0 0
M  V30 11 C -0.2588 -1.4659 0.0 0
M  V30 12 C 0.866 0.9999 0.0 0
M  V30 13 C -1.2247 -1.2071 0.0 0
M  V30 14 O 0.0 1.5 0.0 0
M  V30 15 N 1.732 1.4999 0.0 0
M  V30 16 C 1.732 2.4999 0.0 0 CFG=2
M  V30 17 C 0.923 3.0877 0.0 0
M  V30 18 C 2.541 3.0877 0.0 0
M  V30 19 O 1.232 4.0388 0.0 0
M  V30 20 C 2.232 4.0388 0.0 0
M  V30 21 O 2.8198 4.8478 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 16 15 CFG=3
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 20 21
M  V30 21 1 6 7
M  V30 22 1 11 13
M  V30 23 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 16)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000923753341

>  <name>
NA

>  <smiles>
Fc1cccc(c1)C1(CCC1)NC(=O)NC1COC(=O)C1

$$$$
ZINC000680337727
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.75 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 C 5.1961 2.25 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 5.1961 3.75 0.0 0
M  V30 9 C 2.598 -0.75 0.0 0
M  V30 10 C 3.8971 4.5 0.0 0
M  V30 11 O 2.598 -2.25 0.0 0
M  V30 12 N 1.299 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 C -0.1957 0.7371 0.0 0
M  V30 15 C -0.3882 -2.1988 0.0 0
M  V30 16 C -1.4488 -0.3617 0.0 0
M  V30 17 C -1.5816 1.3111 0.0 0
M  V30 18 C 0.9942 1.6503 0.0 0
M  V30 19 C -1.8371 -1.8106 0.0 0
M  V30 20 C -1.7773 2.7983 0.0 0
M  V30 21 C 0.7984 3.1374 0.0 0
M  V30 22 C -0.5873 3.7115 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 2 20 22
M  V30 22 1 6 7
M  V30 23 1 16 19
M  V30 24 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000680337727

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CCC1)c1ccccc1

$$$$
ZINC000517804692
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 2.598 -0.75 0.0 0
M  V30 2 C 3.8971 0.0 0.0 0
M  V30 3 C 1.299 0.0 0.0 0
M  V30 4 N 5.2674 -0.6101 0.0 0
M  V30 5 N 4.0539 1.4917 0.0 0
M  V30 6 C 0.0 -0.75 0.0 0
M  V30 7 C 6.2711 0.5046 0.0 0
M  V30 8 C 2.9391 2.4954 0.0 0
M  V30 9 C 5.5211 1.8036 0.0 0
M  V30 10 N -1.299 0.0 0.0 0
M  V30 11 C 0.0 -2.2499 0.0 0
M  V30 12 C 3.251 3.9627 0.0 0
M  V30 13 C 1.5126 2.0319 0.0 0
M  V30 14 C -2.598 -0.7499 0.0 0
M  V30 15 C -1.299 -2.9999 0.0 0
M  V30 16 C 2.1363 4.9663 0.0 0
M  V30 17 C 0.3978 3.0356 0.0 0
M  V30 18 N -4.0246 -0.2864 0.0 0
M  V30 19 N -2.598 -2.2499 0.0 0
M  V30 20 O -1.299 -4.4999 0.0 0
M  V30 21 C 0.7097 4.5028 0.0 0
M  V30 22 C 2.4482 6.4336 0.0 0
M  V30 23 C -4.9063 -1.4999 0.0 0
M  V30 24 N -4.0246 -2.7135 0.0 0
M  V30 25 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 2 6 11
M  V30 11 2 8 12
M  V30 12 1 8 13
M  V30 13 1 10 14
M  V30 14 1 11 15
M  V30 15 1 12 16
M  V30 16 2 13 17
M  V30 17 2 14 18
M  V30 18 1 14 19
M  V30 19 2 15 20
M  V30 20 2 16 21
M  V30 21 1 16 22
M  V30 22 1 18 23
M  V30 23 1 19 24
M  V30 24 2 23 25
M  V30 25 2 7 9
M  V30 26 1 15 19
M  V30 27 1 17 21
M  V30 28 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000517804692

>  <name>
NA

>  <smiles>
Cc1cccc(c1)-n1ccnc1SCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC001723312307
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -3.0 0.0 0
M  V30 2 C 7.7942 -2.0 0.0 0
M  V30 3 N 8.6602 -1.5 0.0 0
M  V30 4 C 6.9282 -1.4999 0.0 0
M  V30 5 C 8.6602 -0.5 0.0 0
M  V30 6 C 6.9282 -0.5 0.0 0
M  V30 7 C 7.7942 0.0 0.0 0
M  V30 8 C 9.5262 0.0 0.0 0
M  V30 9 C 6.0621 0.0 0.0 0
M  V30 10 C 9.5262 0.9999 0.0 0
M  V30 11 O 6.0621 0.9999 0.0 0
M  V30 12 N 5.1961 -0.5 0.0 0
M  V30 13 C 4.3301 0.0 0.0 0 CFG=2
M  V30 14 C 4.3301 1.0 0.0 0
M  V30 15 C 3.4641 -0.5 0.0 0
M  V30 16 C 4.8301 1.866 0.0 0
M  V30 17 C 3.8301 1.866 0.0 0
M  V30 18 N 2.598 0.0 0.0 0
M  V30 19 C 1.732 -0.5 0.0 0
M  V30 20 C 0.866 0.0 0.0 0
M  V30 21 N 0.0 -0.5 0.0 0
M  V30 22 N -0.9135 -0.0932 0.0 0
M  V30 23 C -0.1045 -1.4945 0.0 0
M  V30 24 C -1.5826 -0.8364 0.0 0
M  V30 25 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 13 12 CFG=1
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 1 21 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 2 23 25
M  V30 25 1 6 7
M  V30 26 1 16 17
M  V30 27 1 24 25
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001723312307

>  <name>
NA

>  <smiles>
CCc1cc(cc(=O)[nH]1)C(=O)NC(CNCCn1cccn1)C1CC1

$$$$
ZINC001363948939
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 21 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 3.5116 -0.4067 0.0 0
M  V30 2 C 4.1807 0.3364 0.0 0
M  V30 3 C 2.598 0.0 0.0 0
M  V30 4 N 5.1752 0.2318 0.0 0
M  V30 5 N 3.6807 1.2024 0.0 0
M  V30 6 C 2.7026 0.9945 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 O 1.9594 1.6636 0.0 0
M  V30 9 C 0.866 0.0 0.0 0
M  V30 10 O 0.866 1.0 0.0 0
M  V30 11 N 0.0 -0.5 0.0 0
M  V30 12 C -0.9135 -0.0932 0.0 0
M  V30 13 C -0.1045 -1.4945 0.0 0
M  V30 14 C -1.5826 -0.8364 0.0 0
M  V30 15 C -1.0826 -1.7024 0.0 0
M  V30 16 C -2.5771 -0.7318 0.0 0
M  V30 17 C -1.4894 -2.6159 0.0 0
M  V30 18 O -3.1649 -1.5408 0.0 0
M  V30 19 C -2.4839 -2.7205 0.0 0
M  V30 20 O -2.8906 -3.634 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 3 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 1 5 6
M  V30 21 1 14 15
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001363948939

>  <name>
NA

>  <smiles>
OCCC1CN(CC1CO)C(=O)Cc1sc(=N)[nH]c1O

$$$$
ZINC001457676752
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 8.6393 0.2318 0.0 0
M  V30 2 C 7.6448 0.3364 0.0 0
M  V30 3 C 7.1448 1.2024 0.0 0
M  V30 4 C 6.9757 -0.4067 0.0 0
M  V30 5 N 6.1667 0.9945 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 O 5.1961 -1.4999 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 3.4641 -1.5 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 C 2.598 -1.9999 0.0 0
M  V30 14 C 4.3301 -2.0 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 O 0.866 1.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 N -0.9135 -0.0932 0.0 0
M  V30 20 C -0.1045 -1.4945 0.0 0
M  V30 21 C -1.5826 -0.8364 0.0 0
M  V30 22 N -1.0826 -1.7024 0.0 0
M  V30 23 O -2.5771 -0.7318 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 2 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 5 6
M  V30 24 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001457676752

>  <name>
NA

>  <smiles>
CC(C)C(CNC(O)c1c[nH]c(=O)[nH]1)NC(=O)c1cc(Cl)c[nH]1

$$$$
ZINC000373659048
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 7.7942 2.25 0.0 0
M  V30 2 C 6.4951 1.5 0.0 0
M  V30 3 C 5.1961 2.25 0.0 0
M  V30 4 C 6.4951 0.0 0.0 0
M  V30 5 C 3.8971 1.5 0.0 0
M  V30 6 C 5.1961 -0.7499 0.0 0
M  V30 7 C 3.8971 0.0 0.0 0
M  V30 8 C 2.598 2.2499 0.0 0
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 2.4412 3.7417 0.0 0
M  V30 11 C 1.2277 1.6398 0.0 0
M  V30 12 C 2.598 -2.25 0.0 0
M  V30 13 N 0.974 4.0536 0.0 0
M  V30 14 N 0.224 2.7546 0.0 0
M  V30 15 O 3.8971 -3.0 0.0 0
M  V30 16 C 1.299 -3.0 0.0 0 CFG=2
M  V30 17 C -1.2677 2.5978 0.0 0
M  V30 18 C 1.299 -4.5 0.0 0
M  V30 19 C 0.0 -2.25 0.0 0
M  V30 20 C 0.0 -5.25 0.0 0
M  V30 21 C -1.299 -3.0 0.0 0
M  V30 22 O 0.0 -6.75 0.0 0
M  V30 23 N -1.299 -4.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 8 11
M  V30 11 1 9 12
M  V30 12 2 10 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 16 12 CFG=3
M  V30 16 1 14 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 6 7
M  V30 24 1 13 14
M  V30 25 1 21 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 16)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000373659048

>  <name>
NA

>  <smiles>
Cn1cc(cn1)-c1cc(F)ccc1NC(=O)C1CCNC(=O)C1

$$$$
ZINC001151214002
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3092 1.7318 0.0 0
M  V30 2 C 3.3147 1.8364 0.0 0
M  V30 3 C 2.6455 1.0932 0.0 0
M  V30 4 C 2.8147 2.7024 0.0 0
M  V30 5 C 1.732 1.4999 0.0 0 CFG=2
M  V30 6 C 1.8365 2.4945 0.0 0
M  V30 7 C 0.866 0.9999 0.0 0
M  V30 8 O 0.0 1.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C 0.0 -0.5 0.0 0
M  V30 11 C 0.8386 -1.0446 0.0 0
M  V30 12 C -0.9135 -0.0932 0.0 0
M  V30 13 C -0.1045 -1.4945 0.0 0
M  V30 14 C 0.7863 -2.0432 0.0 0
M  V30 15 C 1.7296 -0.5906 0.0 0
M  V30 16 C -1.5826 -0.8364 0.0 0
M  V30 17 C -1.0826 -1.7024 0.0 0
M  V30 18 C 1.625 -2.5879 0.0 0
M  V30 19 C 2.5683 -1.1352 0.0 0
M  V30 20 C 2.516 -2.1339 0.0 0
M  V30 21 C 3.3546 -2.6785 0.0 0
M  V30 22 C 3.8993 -1.8398 0.0 0
M  V30 23 C 4.1933 -3.2231 0.0 0
M  V30 24 C 2.81 -3.5172 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 3
M  V30 5 1 4 6
M  V30 6 1 5 7 CFG=1
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 10 13
M  V30 13 2 11 14
M  V30 14 1 11 15
M  V30 15 1 12 16
M  V30 16 1 13 17
M  V30 17 1 14 18
M  V30 18 2 15 19
M  V30 19 2 18 20
M  V30 20 1 20 21
M  V30 21 1 21 22
M  V30 22 1 21 23
M  V30 23 1 21 24
M  V30 24 1 5 6
M  V30 25 1 16 17
M  V30 26 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001151214002

>  <name>
NA

>  <smiles>
CC(C)(C)c1ccc(cc1)C1(CCCC1)NC(=O)C1CCC(=O)C1

$$$$
ZINC001386220710
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.5515 2.1159 0.0 0
M  V30 2 C 7.1448 1.2024 0.0 0
M  V30 3 N 6.1667 0.9945 0.0 0
M  V30 4 N 7.6448 0.3364 0.0 0
M  V30 5 C 6.0621 0.0 0.0 0
M  V30 6 C 5.4235 1.6636 0.0 0
M  V30 7 C 6.9757 -0.4067 0.0 0
M  V30 8 C 5.1961 -0.5 0.0 0
M  V30 9 O 5.1961 -1.4999 0.0 0
M  V30 10 N 4.3301 0.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 C 3.4641 -1.5 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.9135 -0.0932 0.0 0
M  V30 19 C -0.1045 -1.4945 0.0 0
M  V30 20 C -1.5826 -0.8364 0.0 0
M  V30 21 C -1.0826 -1.7024 0.0 0
M  V30 22 C -1.4894 -2.6159 0.0 0
M  V30 23 N -1.8961 -3.5295 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 11 10 CFG=1
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 3 22 23
M  V30 23 2 5 7
M  V30 24 2 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001386220710

>  <name>
NA

>  <smiles>
CC(CNC(=O)c1cc(c[nH]1)C#N)NC(=O)c1c[nH]c(=O)n1C

$$$$
ZINC001100680928
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 -0.5 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 N 3.4641 -0.5 0.0 0
M  V30 4 N 4.3301 1.0 0.0 0
M  V30 5 C 2.598 0.0 0.0 0
M  V30 6 O 2.598 1.0 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 N 0.866 0.0 0.0 0
M  V30 9 C 0.0 -0.5 0.0 0
M  V30 10 C -0.9659 -0.2411 0.0 0
M  V30 11 C -0.2588 -1.4659 0.0 0
M  V30 12 C -1.2247 -1.2071 0.0 0
M  V30 13 C -2.0907 -1.7071 0.0 0
M  V30 14 N -2.0907 -2.7071 0.0 0
M  V30 15 C -2.9567 -3.2071 0.0 0
M  V30 16 O -3.8228 -2.7071 0.0 0
M  V30 17 C -2.9567 -4.2071 0.0 0
M  V30 18 N -3.7658 -4.7948 0.0 0
M  V30 19 C -2.1477 -4.7948 0.0 0
M  V30 20 C -3.4567 -5.7459 0.0 0
M  V30 21 C -2.4567 -5.7459 0.0 0
M  V30 22 C -4.0445 -6.5549 0.0 0
M  V30 23 O -5.0391 -6.4504 0.0 0
M  V30 24 N -3.6378 -7.4685 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 22 23
M  V30 23 1 22 24
M  V30 24 1 11 12
M  V30 25 2 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001100680928

>  <name>
NA

>  <smiles>
NC(=O)NC(=O)CNC1CC(CNC(=O)c2ccc([nH]2)C(N)=O)C1

$$$$
ZINC001460556750
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 3.8971 6.0 0.0 0
M  V30 2 C 3.8971 4.5 0.0 0
M  V30 3 C 2.598 3.75 0.0 0
M  V30 4 C 5.1961 3.75 0.0 0
M  V30 5 C 2.598 2.25 0.0 0
M  V30 6 C 5.1961 2.25 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 3.8971 0.0 0.0 0 CFG=1
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 5.1961 -0.75 0.0 0
M  V30 11 C 1.299 0.0 0.0 0
M  V30 12 O 6.4951 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 N -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.2499 0.0 0
M  V30 16 C -2.598 -0.7499 0.0 0
M  V30 17 C -1.299 -2.9999 0.0 0
M  V30 18 N -4.0246 -0.2864 0.0 0
M  V30 19 N -2.598 -2.2499 0.0 0
M  V30 20 O -1.299 -4.4999 0.0 0
M  V30 21 C -4.9063 -1.4999 0.0 0
M  V30 22 N -4.0246 -2.7135 0.0 0
M  V30 23 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 7
M  V30 8 1 8 9 CFG=3
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 21 23
M  V30 23 1 6 7
M  V30 24 1 17 19
M  V30 25 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001460556750

>  <name>
NA

>  <smiles>
OCC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccc(Cl)cc1

$$$$
ZINC000346652121
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.75 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 C 5.1961 2.25 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 5.1961 3.75 0.0 0
M  V30 9 C 2.598 -0.75 0.0 0
M  V30 10 C 3.8971 4.5 0.0 0
M  V30 11 O 2.598 -2.25 0.0 0
M  V30 12 N 1.299 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 C -0.3882 0.6988 0.0 0
M  V30 15 C -0.7499 -2.049 0.0 0
M  V30 16 C -1.4999 -0.75 0.0 0
M  V30 17 C -1.8371 1.0871 0.0 0
M  V30 18 C 0.6724 1.7595 0.0 0
M  V30 19 C -2.2253 2.536 0.0 0
M  V30 20 C 0.2842 3.2084 0.0 0
M  V30 21 C -1.1646 3.5966 0.0 0
M  V30 22 O -1.5529 5.0455 0.0 0
M  V30 23 C -0.4922 6.1062 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 14 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 2 19 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 6 7
M  V30 24 1 15 16
M  V30 25 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000346652121

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CC1)c1ccc(OC)cc1

$$$$
ZINC000131835388
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 3.1734 -2.935 0.0 0
M  V30 2 C 2.38 -2.3262 0.0 0
M  V30 3 C 2.5105 -1.3348 0.0 0
M  V30 4 C 1.4561 -2.7089 0.0 0
M  V30 5 C 1.7172 -0.726 0.0 0
M  V30 6 C 0.6628 -2.1002 0.0 0
M  V30 7 C 0.7933 -1.1087 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.9659 -0.2411 0.0 0
M  V30 11 C -0.2588 -1.4659 0.0 0
M  V30 12 C 0.866 0.9999 0.0 0
M  V30 13 C -1.2247 -1.2071 0.0 0
M  V30 14 O 1.732 1.4999 0.0 0
M  V30 15 C 0.0 1.5 0.0 0 CFG=2
M  V30 16 C -0.866 1.0 0.0 0
M  V30 17 C 0.0 2.5 0.0 0
M  V30 18 C -1.732 1.4999 0.0 0
M  V30 19 C -0.866 2.9999 0.0 0
M  V30 20 O -2.598 1.0 0.0 0
M  V30 21 N -1.732 2.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 2 12 14
M  V30 14 1 15 12 CFG=3
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 6 7
M  V30 22 1 11 13
M  V30 23 1 19 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 15)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000131835388

>  <name>
NA

>  <smiles>
Clc1ccc(cc1)C1(CCC1)NC(=O)C1CCNC(=O)C1

$$$$
ZINC000665037458
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.9282 1.4999 0.0 0
M  V30 2 C 6.0621 0.9999 0.0 0
M  V30 3 C 5.1961 1.4999 0.0 0
M  V30 4 C 6.0621 0.0 0.0 0
M  V30 5 C 4.3301 0.9999 0.0 0
M  V30 6 C 5.1961 -0.5 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0
M  V30 9 N 2.598 0.0 0.0 0
M  V30 10 C 3.4641 -1.5 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0
M  V30 12 O 1.732 -1.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 N 0.0 -0.5 0.0 0
M  V30 15 C -0.9135 -0.0932 0.0 0
M  V30 16 C -0.1045 -1.4945 0.0 0
M  V30 17 C -1.1214 0.8848 0.0 0
M  V30 18 C -1.5826 -0.8364 0.0 0
M  V30 19 C -1.0826 -1.7024 0.0 0
M  V30 20 O -0.3783 1.554 0.0 0
M  V30 21 N -2.0725 1.1939 0.0 0
M  V30 22 O -1.4894 -2.6159 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 17 21
M  V30 21 1 19 22
M  V30 22 1 6 7
M  V30 23 1 18 19
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000665037458

>  <name>
NA

>  <smiles>
CC(NC(=O)CN1CC(O)CC1C(N)=O)c1ccc(F)cc1

$$$$
ZINC001715092356
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.5385 -7.6947 0.0 0
M  V30 2 C 3.617 -6.1967 0.0 0
M  V30 3 N 4.9535 -5.5157 0.0 0
M  V30 4 C 2.359 -5.3798 0.0 0
M  V30 5 C 5.032 -4.0178 0.0 0
M  V30 6 C 2.4375 -3.8818 0.0 0
M  V30 7 C 3.774 -3.2008 0.0 0
M  V30 8 C 1.1795 -3.0649 0.0 0
M  V30 9 O -0.157 -3.7458 0.0 0
M  V30 10 N 1.258 -1.5669 0.0 0
M  V30 11 C 0.0 -0.75 0.0 0
M  V30 12 C -1.3703 -0.1398 0.0 0
M  V30 13 C -0.1567 -2.2417 0.0 0
M  V30 14 C 1.299 0.0 0.0 0
M  V30 15 C -2.374 -1.2546 0.0 0
M  V30 16 C -1.624 -2.5536 0.0 0
M  V30 17 N 2.598 -0.75 0.0 0
M  V30 18 C 3.8971 0.0 0.0 0
M  V30 19 C 5.1961 -0.75 0.0 0
M  V30 20 C 6.4951 0.0 0.0 0
M  V30 21 C 7.8655 -0.6101 0.0 0
M  V30 22 C 6.6519 1.4917 0.0 0
M  V30 23 O 8.8692 0.5046 0.0 0
M  V30 24 C 8.1192 1.8036 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 6 7
M  V30 25 1 15 16
M  V30 26 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001715092356

>  <name>
NA

>  <smiles>
O=C(NC1(CNCCC2CCOC2)CCCC1)C1CCNC(=O)C1

$$$$
ZINC001615931250
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 -2.9999 0.0 0
M  V30 2 C 4.3301 -1.9999 0.0 0
M  V30 3 N 5.1961 -1.4999 0.0 0
M  V30 4 C 3.4641 -1.4999 0.0 0
M  V30 5 N 6.1472 -1.809 0.0 0
M  V30 6 C 5.1961 -0.4999 0.0 0
M  V30 7 C 3.4641 -0.5 0.0 0
M  V30 8 C 6.7349 -0.9999 0.0 0
M  V30 9 N 6.1472 -0.1909 0.0 0
M  V30 10 N 4.3301 0.0 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 N 7.7349 -0.9999 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 1.732 -1.5 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 C -0.866 0.0 0.0 0
M  V30 18 C 0.0 -1.4999 0.0 0
M  V30 19 O -0.866 1.0 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 C -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 2 20 22
M  V30 22 1 7 10
M  V30 23 1 8 9
M  V30 24 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001615931250

>  <name>
NA

>  <smiles>
CN(Cc1cc(=O)n2[nH]c(=N)nc2[nH]1)Cc1ccccc1O

$$$$
ZINC000856733811
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 -0.5 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 N 6.0621 0.9999 0.0 0
M  V30 4 C 5.1961 -0.4999 0.0 0
M  V30 5 N 6.8053 1.6691 0.0 0
M  V30 6 C 5.1961 1.4999 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 6.3985 2.5826 0.0 0
M  V30 9 N 5.404 2.4781 0.0 0
M  V30 10 N 4.3301 1.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 6.8985 3.4487 0.0 0
M  V30 13 N 2.598 0.0 0.0 0
M  V30 14 C 1.732 -0.5 0.0 0 CFG=2
M  V30 15 C 1.732 -1.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 2.598 -0.9999 0.0 0
M  V30 18 C 0.866 -1.9999 0.0 0
M  V30 19 C 2.598 -2.0 0.0 0
M  V30 20 C 0.0 -0.5 0.0 0
M  V30 21 C 0.866 -2.9999 0.0 0
M  V30 22 C 2.598 -3.0 0.0 0
M  V30 23 C 1.732 -3.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 14 17 CFG=1
M  V30 17 2 15 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 2 21 23
M  V30 23 1 7 10
M  V30 24 1 8 9
M  V30 25 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000856733811

>  <name>
NA

>  <smiles>
CCC(C)(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccccc1

$$$$
ZINC000754846904
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.2942 3.75 0.0 0
M  V30 2 C 7.7942 3.75 0.0 0
M  V30 3 F 7.7942 5.25 0.0 0
M  V30 4 F 9.2942 3.75 0.0 0
M  V30 5 C 7.7942 2.25 0.0 0
M  V30 6 C 6.4952 1.5 0.0 0
M  V30 7 C 9.0932 1.5 0.0 0
M  V30 8 C 6.4952 0.0 0.0 0
M  V30 9 C 9.0932 0.0 0.0 0
M  V30 10 C 7.7942 -0.75 0.0 0
M  V30 11 C 5.1961 -0.75 0.0 0 CFG=1
M  V30 12 O 4.4461 -2.049 0.0 0
M  V30 13 C 3.8971 0.0 0.0 0
M  V30 14 C 5.9461 -2.049 0.0 0
M  V30 15 O 3.8971 1.5 0.0 0
M  V30 16 N 2.598 -0.75 0.0 0
M  V30 17 C 1.299 0.0 0.0 0
M  V30 18 C 0.0 -0.75 0.0 0
M  V30 19 N -1.3703 -0.1398 0.0 0
M  V30 20 C -0.1567 -2.2417 0.0 0
M  V30 21 N -2.374 -1.2546 0.0 0
M  V30 22 C -1.624 -2.5536 0.0 0
M  V30 23 C -2.2341 -3.9239 0.0 0
M  V30 24 C -1.3524 -5.1375 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 11 8
M  V30 11 1 11 12 CFG=1
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 13 15
M  V30 15 1 13 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 2 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 22 23
M  V30 23 1 23 24
M  V30 24 1 9 10
M  V30 25 2 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000754846904

>  <name>
NA

>  <smiles>
CCc1cc(CNC(=O)C(C)(O)c2cccc(c2)C(F)(F)F)[nH]n1

$$$$
ZINC001460250085
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 -0.5 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 N 6.0621 0.9999 0.0 0
M  V30 4 C 5.1961 -0.4999 0.0 0
M  V30 5 N 6.8053 1.6691 0.0 0
M  V30 6 C 5.1961 1.4999 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 6.3985 2.5826 0.0 0
M  V30 9 N 5.404 2.4781 0.0 0
M  V30 10 N 4.3301 1.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 6.8985 3.4487 0.0 0
M  V30 13 N 2.598 0.0 0.0 0
M  V30 14 C 1.732 -0.5 0.0 0
M  V30 15 C 1.732 -1.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 0.866 -1.9999 0.0 0
M  V30 18 C 2.598 -2.0 0.0 0
M  V30 19 O 0.0 -0.5 0.0 0
M  V30 20 O 0.866 -2.9999 0.0 0
M  V30 21 C 2.598 -3.0 0.0 0
M  V30 22 C 1.732 -3.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 20 22
M  V30 22 1 7 10
M  V30 23 1 8 9
M  V30 24 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001460250085

>  <name>
NA

>  <smiles>
OCC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)C1CCCOC1

$$$$
ZINC000679651022
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br -3.1632 3.3723 0.0 0
M  V30 2 C -1.7773 2.7983 0.0 0
M  V30 3 C -1.5816 1.3111 0.0 0
M  V30 4 C -0.5873 3.7115 0.0 0
M  V30 5 C -0.1957 0.7371 0.0 0
M  V30 6 C 0.7984 3.1374 0.0 0
M  V30 7 C 0.9942 1.6503 0.0 0
M  V30 8 C 0.0 -0.75 0.0 0
M  V30 9 N 1.299 0.0 0.0 0
M  V30 10 C -0.3882 -2.1988 0.0 0
M  V30 11 C -1.4488 -0.3617 0.0 0
M  V30 12 C 2.598 -0.75 0.0 0
M  V30 13 C -1.8371 -1.8106 0.0 0
M  V30 14 O 3.8971 0.0 0.0 0
M  V30 15 C 2.598 -2.25 0.0 0
M  V30 16 C 1.299 -2.9999 0.0 0
M  V30 17 C 3.8971 -3.0 0.0 0
M  V30 18 C 1.299 -4.4999 0.0 0
M  V30 19 C 3.8971 -4.5 0.0 0
M  V30 20 O 0.0 -5.2499 0.0 0
M  V30 21 N 2.598 -5.25 0.0 0
M  V30 22 C 5.1961 -5.25 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 6 7
M  V30 23 1 11 13
M  V30 24 1 19 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000679651022

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)NC1(CCC1)c1cccc(Br)c1

$$$$
ZINC001438392631
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.3685 -3.3368 0.0 0
M  V30 2 C 5.032 -4.0178 0.0 0
M  V30 3 N 4.9535 -5.5157 0.0 0
M  V30 4 C 3.774 -3.2008 0.0 0
M  V30 5 C 3.617 -6.1967 0.0 0
M  V30 6 C 2.4375 -3.8818 0.0 0
M  V30 7 C 2.359 -5.3798 0.0 0
M  V30 8 C 3.5385 -7.6947 0.0 0
M  V30 9 C 1.1795 -3.0649 0.0 0 CFG=2
M  V30 10 C 1.0224 -6.0607 0.0 0
M  V30 11 C 2.2019 -8.3756 0.0 0
M  V30 12 O -0.157 -3.7458 0.0 0
M  V30 13 N 1.258 -1.5669 0.0 0
M  V30 14 C 0.9439 -7.5587 0.0 0
M  V30 15 C 0.0 -0.75 0.0 0
M  V30 16 C -1.3703 -0.1398 0.0 0
M  V30 17 C -0.1567 -2.2417 0.0 0
M  V30 18 C 1.299 0.0 0.0 0
M  V30 19 C -2.374 -1.2546 0.0 0
M  V30 20 C -1.624 -2.5536 0.0 0
M  V30 21 N 2.598 -0.75 0.0 0
M  V30 22 C 3.8971 0.0 0.0 0
M  V30 23 C 5.1961 -0.75 0.0 0
M  V30 24 C 3.8971 1.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 9 6
M  V30 9 1 7 10
M  V30 10 2 8 11
M  V30 11 1 9 12 CFG=3
M  V30 12 1 9 13
M  V30 13 2 10 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 22 24
M  V30 24 1 6 7
M  V30 25 1 11 14
M  V30 26 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001438392631

>  <name>
NA

>  <smiles>
CC(C)NCC1(CCCC1)NC(O)c1cc(=O)[nH]c2ccccc12

$$$$
ZINC000542608934
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br -0.7831 5.1986 0.0 0
M  V30 2 C -0.5873 3.7115 0.0 0
M  V30 3 C 0.7984 3.1374 0.0 0
M  V30 4 C -1.7773 2.7983 0.0 0
M  V30 5 C 0.9942 1.6503 0.0 0
M  V30 6 C -1.5816 1.3111 0.0 0
M  V30 7 C -0.1957 0.7371 0.0 0
M  V30 8 C 0.0 -0.75 0.0 0
M  V30 9 N 1.299 0.0 0.0 0
M  V30 10 C -0.3882 -2.1988 0.0 0
M  V30 11 C -1.4488 -0.3617 0.0 0
M  V30 12 C 2.598 -0.75 0.0 0
M  V30 13 C -1.8371 -1.8106 0.0 0
M  V30 14 O 3.8971 0.0 0.0 0
M  V30 15 C 2.598 -2.25 0.0 0
M  V30 16 C 1.299 -3.0 0.0 0
M  V30 17 C 3.8971 -2.9999 0.0 0
M  V30 18 C 1.299 -4.5 0.0 0
M  V30 19 C 3.8971 -4.4999 0.0 0
M  V30 20 O 0.0 -5.25 0.0 0
M  V30 21 N 2.598 -5.25 0.0 0
M  V30 22 C 5.1961 -5.2499 0.0 0
M  V30 23 C 6.4951 -4.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 22 23
M  V30 23 1 6 7
M  V30 24 1 11 13
M  V30 25 1 19 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000542608934

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CCC1)c1ccc(Br)cc1

$$$$
ZINC001365302645
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.6471 1.299 0.0 0
M  V30 2 C 3.8971 0.0 0.0 0
M  V30 3 F 3.1471 1.299 0.0 0
M  V30 4 C 2.598 -0.75 0.0 0 CFG=2
M  V30 5 C 5.1961 -0.75 0.0 0
M  V30 6 C 2.598 -2.25 0.0 0
M  V30 7 C 1.299 0.0 0.0 0
M  V30 8 C 5.1961 -2.25 0.0 0
M  V30 9 N 3.8971 -3.0 0.0 0
M  V30 10 O 0.0 -0.75 0.0 0
M  V30 11 C 3.8971 -4.5 0.0 0
M  V30 12 C 5.1961 -5.25 0.0 0
M  V30 13 N 5.1961 -6.75 0.0 0
M  V30 14 C 6.4952 -4.5 0.0 0
M  V30 15 C 6.4952 -7.5 0.0 0
M  V30 16 C 7.7942 -5.25 0.0 0
M  V30 17 N 6.807 -8.9672 0.0 0
M  V30 18 N 7.7942 -6.75 0.0 0
M  V30 19 O 9.0932 -4.5 0.0 0
M  V30 20 C 8.2988 -9.124 0.0 0
M  V30 21 N 8.9089 -7.7537 0.0 0
M  V30 22 N 9.0488 -10.423 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 4 2
M  V30 4 1 2 5
M  V30 5 1 4 6
M  V30 6 1 4 7 CFG=3
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 2 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 2 20 22
M  V30 22 1 8 9
M  V30 23 1 16 18
M  V30 24 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 4)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001365302645

>  <name>
NA

>  <smiles>
OCC1CN(Cc2cc(=O)n3[nH]c(=N)nc3[nH]2)CCC1(F)F

$$$$
ZINC001187310214
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 10.3923 -0.5 0.0 0
M  V30 2 C 9.5262 0.0 0.0 0
M  V30 3 C 11.2583 0.0 0.0 0
M  V30 4 N 9.5262 0.9999 0.0 0
M  V30 5 N 8.6602 -0.5 0.0 0
M  V30 6 C 8.6602 1.4999 0.0 0
M  V30 7 C 7.7942 0.0 0.0 0
M  V30 8 O 8.6602 2.4999 0.0 0
M  V30 9 C 7.7942 0.9999 0.0 0
M  V30 10 N 6.9282 -0.5 0.0 0
M  V30 11 C 6.0621 0.0 0.0 0
M  V30 12 O 6.0621 0.9999 0.0 0
M  V30 13 C 5.1961 -0.5 0.0 0
M  V30 14 C 4.3301 0.0 0.0 0
M  V30 15 C 5.1961 -1.4999 0.0 0
M  V30 16 C 3.4641 -0.5 0.0 0
M  V30 17 C 4.3301 -1.9999 0.0 0
M  V30 18 N 2.598 0.0 0.0 0
M  V30 19 C 3.4641 -1.4999 0.0 0
M  V30 20 C 1.732 -0.5 0.0 0
M  V30 21 O 1.732 -1.5 0.0 0
M  V30 22 C 0.866 0.0 0.0 0
M  V30 23 C 0.866 1.0 0.0 0
M  V30 24 C 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 2 6 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 1 10 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 16 18
M  V30 18 2 16 19
M  V30 19 1 18 20
M  V30 20 2 20 21
M  V30 21 1 20 22
M  V30 22 1 22 23
M  V30 23 1 22 24
M  V30 24 2 7 9
M  V30 25 1 17 19
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001187310214

>  <name>
NA

>  <smiles>
CSc1nc(=O)cc(NC(=O)c2cccc(NC(=O)C(C)C)c2)[nH]1

$$$$
ZINC000527019428
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 7.7942 2.25 0.0 0
M  V30 2 C 6.4951 1.5 0.0 0
M  V30 3 C 5.1961 2.25 0.0 0
M  V30 4 C 6.4951 0.0 0.0 0
M  V30 5 C 3.8971 1.5 0.0 0
M  V30 6 C 5.1961 -0.7499 0.0 0
M  V30 7 C 3.8971 0.0 0.0 0
M  V30 8 C 2.598 2.2499 0.0 0
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 2.4412 3.7417 0.0 0
M  V30 11 C 1.2277 1.6398 0.0 0
M  V30 12 C 2.598 -2.25 0.0 0
M  V30 13 N 0.974 4.0536 0.0 0
M  V30 14 N 0.224 2.7546 0.0 0
M  V30 15 O 3.8971 -3.0 0.0 0
M  V30 16 C 1.299 -3.0 0.0 0
M  V30 17 C -1.2677 2.5978 0.0 0
M  V30 18 C 1.299 -4.5 0.0 0
M  V30 19 C 0.0 -2.25 0.0 0
M  V30 20 C 0.0 -5.25 0.0 0
M  V30 21 C -1.299 -3.0 0.0 0
M  V30 22 O 0.0 -6.75 0.0 0
M  V30 23 N -1.299 -4.5 0.0 0
M  V30 24 C -2.598 -2.25 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 8 11
M  V30 11 1 9 12
M  V30 12 2 10 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 14 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 21 24
M  V30 24 1 6 7
M  V30 25 1 13 14
M  V30 26 1 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000527019428

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)Nc1ccc(F)cc1-c1cnn(C)c1

$$$$
ZINC001328904453
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -3.0 0.0 0
M  V30 2 C 2.598 -1.9999 0.0 0
M  V30 3 N 3.4641 -1.4999 0.0 0
M  V30 4 C 1.732 -1.4999 0.0 0
M  V30 5 N 4.4151 -1.809 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 C 5.0029 -0.9999 0.0 0
M  V30 9 N 4.4151 -0.1909 0.0 0
M  V30 10 N 2.598 0.0 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 N 6.0029 -0.9999 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C 0.0747 -1.4972 0.0 0
M  V30 15 C -0.8262 0.0633 0.0 0
M  V30 16 C -0.6583 -2.1773 0.0 0
M  V30 17 C -1.7818 -0.2314 0.0 0
M  V30 18 C -1.6471 -2.0283 0.0 0
M  V30 19 C -0.2929 -3.1082 0.0 0
M  V30 20 O -2.1471 -1.1623 0.0 0
M  V30 21 C -2.2706 -2.8101 0.0 0
M  V30 22 C -0.9164 -3.89 0.0 0
M  V30 23 C -1.9053 -3.741 0.0 0
M  V30 24 O -2.5287 -4.5228 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 2 21 23
M  V30 23 1 23 24
M  V30 24 1 7 10
M  V30 25 1 8 9
M  V30 26 1 18 20
M  V30 27 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001328904453

>  <name>
NA

>  <smiles>
Oc1ccc2CN(Cc3cc(=O)n4[nH]c(=N)nc4[nH]3)CCOc2c1

$$$$
ZINC000621278586
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 2.9999 0.0 0
M  V30 2 C 1.732 2.4999 0.0 0
M  V30 3 N 0.866 2.9999 0.0 0
M  V30 4 C 1.732 1.4999 0.0 0
M  V30 5 N 0.6581 3.9781 0.0 0
M  V30 6 C 0.0 2.4999 0.0 0
M  V30 7 C 0.866 0.9999 0.0 0
M  V30 8 C -0.3364 4.0826 0.0 0
M  V30 9 N -0.7431 3.1691 0.0 0
M  V30 10 N 0.0 1.4999 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 N -0.8364 4.9487 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C 0.0747 -1.4972 0.0 0
M  V30 15 C -0.8262 0.0633 0.0 0
M  V30 16 C -0.6583 -2.1773 0.0 0
M  V30 17 C 1.0303 -1.7919 0.0 0
M  V30 18 C -1.7818 -0.2314 0.0 0
M  V30 19 C -0.4358 -3.1523 0.0 0
M  V30 20 C -1.6471 -2.0283 0.0 0 CFG=2
M  V30 21 C 1.2528 -2.7668 0.0 0
M  V30 22 C -2.1471 -1.1623 0.0 0
M  V30 23 C 0.5197 -3.447 0.0 0
M  V30 24 C -2.2104 -2.8545 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 20 16
M  V30 20 2 17 21
M  V30 21 1 18 22
M  V30 22 2 19 23
M  V30 23 1 20 24 CFG=1
M  V30 24 1 7 10
M  V30 25 1 8 9
M  V30 26 1 20 22
M  V30 27 1 21 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 20)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000621278586

>  <name>
NA

>  <smiles>
CC1CCCN(Cc2cc(=O)n3[nH]c(=N)nc3[nH]2)c2ccccc12

$$$$
ZINC001335112010
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -3.0 0.0 0
M  V30 2 C 2.598 -1.9999 0.0 0
M  V30 3 N 3.4641 -1.4999 0.0 0
M  V30 4 C 1.732 -1.4999 0.0 0
M  V30 5 N 4.4151 -1.809 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 C 5.0029 -0.9999 0.0 0
M  V30 9 N 4.4151 -0.1909 0.0 0
M  V30 10 N 2.598 0.0 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 N 6.0029 -0.9999 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 C -1.5826 -0.8364 0.0 0
M  V30 17 C -1.0826 -1.7024 0.0 0
M  V30 18 C -2.5826 -0.8364 0.0 0
M  V30 19 C -1.5826 -2.5684 0.0 0
M  V30 20 O -3.0826 0.0296 0.0 0
M  V30 21 C -3.0826 -1.7024 0.0 0
M  V30 22 C -2.5826 -2.5684 0.0 0
M  V30 23 C -4.0826 0.0296 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 18 21
M  V30 21 2 19 22
M  V30 22 1 20 23
M  V30 23 1 7 10
M  V30 24 1 8 9
M  V30 25 2 16 17
M  V30 26 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001335112010

>  <name>
NA

>  <smiles>
COc1cccc2CN(Cc3cc(=O)n4[nH]c(=N)nc4[nH]3)Cc12

$$$$
ZINC001178778925
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.8254 -2.1636 0.0 0
M  V30 2 C 3.5686 -1.4945 0.0 0
M  V30 3 O 4.5467 -1.7024 0.0 0
M  V30 4 N 3.4641 -0.5 0.0 0
M  V30 5 C 5.0467 -0.8364 0.0 0
M  V30 6 C 4.3776 -0.0932 0.0 0
M  V30 7 C 2.598 0.0 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 C 0.866 0.0 0.0 0
M  V30 10 O 0.866 1.0 0.0 0
M  V30 11 N 0.0 -0.5 0.0 0
M  V30 12 C 0.0 -1.4999 0.0 0
M  V30 13 C -0.866 0.0 0.0 0
M  V30 14 C -0.866 -1.9999 0.0 0 CFG=2
M  V30 15 C -1.732 -0.4999 0.0 0
M  V30 16 N -1.732 -1.4999 0.0 0
M  V30 17 C -1.0739 -2.9781 0.0 0
M  V30 18 C -2.4751 -2.1691 0.0 0
M  V30 19 C -2.0684 -3.0826 0.0 0
M  V30 20 C -0.4861 -3.7871 0.0 0
M  V30 21 O -3.4533 -1.9612 0.0 0
M  V30 22 C -2.4751 -3.9962 0.0 0
M  V30 23 C -0.8928 -4.7007 0.0 0
M  V30 24 C -1.8874 -4.8052 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 4 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 14 12
M  V30 14 1 13 15
M  V30 15 1 14 16 CFG=1
M  V30 16 1 14 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 2 22 24
M  V30 24 1 5 6
M  V30 25 1 15 16
M  V30 26 1 18 19
M  V30 27 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001178778925

>  <name>
NA

>  <smiles>
O=C(CCN1CCOC1=O)N1CCN2C(C1)c1ccccc1C2=O

$$$$
ZINC000637522133
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 1.9884 4.0506 0.0 0
M  V30 2 C 0.7984 3.1374 0.0 0
M  V30 3 C 0.9942 1.6503 0.0 0
M  V30 4 C -0.5873 3.7115 0.0 0
M  V30 5 C -0.1957 0.7371 0.0 0
M  V30 6 C -1.7773 2.7983 0.0 0
M  V30 7 C -1.5816 1.3111 0.0 0
M  V30 8 C 0.0 -0.75 0.0 0
M  V30 9 N 1.299 0.0 0.0 0
M  V30 10 C -0.3882 -2.1988 0.0 0
M  V30 11 C -1.4488 -0.3617 0.0 0
M  V30 12 C 2.598 -0.75 0.0 0
M  V30 13 C -1.8371 -1.8106 0.0 0
M  V30 14 O 2.598 -2.25 0.0 0
M  V30 15 N 3.8971 0.0 0.0 0
M  V30 16 C 5.1961 -0.75 0.0 0
M  V30 17 C 6.4951 0.0 0.0 0
M  V30 18 C 7.7942 -0.7499 0.0 0
M  V30 19 C 6.4951 1.4999 0.0 0
M  V30 20 O 7.7942 -2.2499 0.0 0
M  V30 21 N 9.0932 0.0 0.0 0
M  V30 22 C 7.7942 2.2499 0.0 0
M  V30 23 C 9.0932 1.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 21 23
M  V30 23 1 6 7
M  V30 24 1 11 13
M  V30 25 2 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000637522133

>  <name>
NA

>  <smiles>
Fc1cccc(c1)C1(CCC1)NC(=O)NCc1ccc[nH]c1=O

$$$$
ZINC001170019828
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 12.1243 2.5 0.0 0
M  V30 2 C 12.1243 1.4999 0.0 0
M  V30 3 N 11.2583 1.0 0.0 0
M  V30 4 C 12.9903 0.9999 0.0 0
M  V30 5 C 11.2583 0.0 0.0 0
M  V30 6 C 12.9903 0.0 0.0 0
M  V30 7 C 10.3923 -0.5 0.0 0
M  V30 8 C 12.1243 -0.5 0.0 0
M  V30 9 O 10.3923 -1.5 0.0 0
M  V30 10 N 9.5262 0.0 0.0 0
M  V30 11 C 8.6602 -0.5 0.0 0 CFG=2
M  V30 12 C 7.7942 0.0 0.0 0
M  V30 13 C 8.6602 -1.4999 0.0 0
M  V30 14 C 6.9282 -0.5 0.0 0
M  V30 15 C 6.0621 0.0 0.0 0
M  V30 16 C 5.1961 -0.5 0.0 0
M  V30 17 N 4.3301 0.0 0.0 0
M  V30 18 C 3.4641 -0.5 0.0 0
M  V30 19 C 2.598 0.0 0.0 0
M  V30 20 O 2.598 1.0 0.0 0
M  V30 21 N 1.732 -0.5 0.0 0
M  V30 22 C 0.866 0.0 0.0 0
M  V30 23 O 0.866 1.0 0.0 0
M  V30 24 N 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 2 7 9
M  V30 9 1 7 10
M  V30 10 1 11 10 CFG=1
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 2 22 23
M  V30 23 1 22 24
M  V30 24 1 6 8
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001170019828

>  <name>
NA

>  <smiles>
CC(CCCCNCC(=O)NC(N)=O)NC(=O)c1cccc(=O)[nH]1

$$$$
ZINC001481893556
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.8301 0.866 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 F 5.1961 0.4999 0.0 0
M  V30 4 F 4.8301 -0.866 0.0 0
M  V30 5 C 3.4641 -0.5 0.0 0
M  V30 6 C 2.598 0.0 0.0 0
M  V30 7 N 1.732 -0.5 0.0 0
M  V30 8 C 0.866 0.0 0.0 0
M  V30 9 C 0.0 -0.5 0.0 0
M  V30 10 N 0.8386 -1.0446 0.0 0
M  V30 11 C -0.9135 -0.0932 0.0 0
M  V30 12 C -0.1045 -1.4945 0.0 0
M  V30 13 C 0.7863 -2.0432 0.0 0
M  V30 14 C -1.5826 -0.8364 0.0 0
M  V30 15 C -1.0826 -1.7024 0.0 0
M  V30 16 O -0.1046 -2.4972 0.0 0
M  V30 17 C 1.625 -2.5879 0.0 0 CFG=2
M  V30 18 C 1.5726 -3.5865 0.0 0
M  V30 19 C 2.516 -2.1339 0.0 0
M  V30 20 C 2.4113 -4.1311 0.0 0
M  V30 21 C 3.3546 -2.6785 0.0 0
M  V30 22 O 2.359 -5.1298 0.0 0
M  V30 23 N 3.3023 -3.6771 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 5 6
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 1 17 13 CFG=1
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 14 15
M  V30 24 1 21 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 17)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001481893556

>  <name>
NA

>  <smiles>
FC(F)(F)CCNCC1(CCCC1)NC(=O)C1CCNC(=O)C1

$$$$
ZINC001642964619
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 19 21 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.8971 -4.5 0.0 0
M  V30 2 C 3.8971 -3.0 0.0 0
M  V30 3 N 5.1961 -2.25 0.0 0
M  V30 4 C 2.598 -2.25 0.0 0
M  V30 5 N 6.6227 -2.7135 0.0 0
M  V30 6 C 5.1961 -0.75 0.0 0
M  V30 7 C 2.598 -0.75 0.0 0
M  V30 8 C 7.5044 -1.5 0.0 0
M  V30 9 N 6.6227 -0.2864 0.0 0
M  V30 10 N 3.8971 0.0 0.0 0
M  V30 11 C 1.299 0.0 0.0 0
M  V30 12 N 9.0044 -1.5 0.0 0
M  V30 13 N 0.0 -0.75 0.0 0
M  V30 14 C -1.3703 -0.1398 0.0 0
M  V30 15 C -0.1567 -2.2417 0.0 0
M  V30 16 C -2.374 -1.2546 0.0 0 CFG=2
M  V30 17 C -1.624 -2.5536 0.0 0
M  V30 18 O -3.5875 -0.3729 0.0 0
M  V30 19 C -3.7443 -1.8647 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 16 14
M  V30 16 1 15 17
M  V30 17 1 16 18 CFG=3
M  V30 18 1 16 19
M  V30 19 1 7 10
M  V30 20 1 8 9
M  V30 21 1 16 17
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 16)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001642964619

>  <name>
NA

>  <smiles>
CC1(O)CCN(Cc2cc(=O)n3[nH]c(=N)nc3[nH]2)C1

$$$$
ZINC001495143945
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.5385 -7.6947 0.0 0
M  V30 2 C 3.617 -6.1967 0.0 0
M  V30 3 N 4.9535 -5.5157 0.0 0
M  V30 4 C 2.359 -5.3798 0.0 0
M  V30 5 C 5.032 -4.0178 0.0 0
M  V30 6 C 2.4375 -3.8818 0.0 0 CFG=2
M  V30 7 C 3.774 -3.2008 0.0 0
M  V30 8 C 1.1795 -3.0649 0.0 0
M  V30 9 O -0.157 -3.7458 0.0 0
M  V30 10 N 1.258 -1.5669 0.0 0
M  V30 11 C 0.0 -0.75 0.0 0
M  V30 12 C -1.3703 -0.1398 0.0 0
M  V30 13 C -0.1567 -2.2417 0.0 0
M  V30 14 C 1.299 0.0 0.0 0
M  V30 15 C -2.374 -1.2546 0.0 0
M  V30 16 C -1.624 -2.5536 0.0 0
M  V30 17 N 2.598 -0.75 0.0 0
M  V30 18 C 3.8971 0.0 0.0 0
M  V30 19 C 5.1961 -0.75 0.0 0
M  V30 20 N 5.3529 -2.2417 0.0 0
M  V30 21 C 6.5664 -0.1398 0.0 0
M  V30 22 N 6.8201 -2.5536 0.0 0
M  V30 23 C 7.5701 -1.2546 0.0 0
M  V30 24 C 7.4302 -3.9239 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 1 5 7
M  V30 7 1 6 8 CFG=1
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 22 24
M  V30 24 1 6 7
M  V30 25 1 15 16
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001495143945

>  <name>
NA

>  <smiles>
Cn1ccc(CNCC2(CCCC2)NC(=O)C2CCNC(=O)C2)n1

$$$$
ZINC001170508716
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 6.5664 -0.1398 0.0 0
M  V30 2 C 5.1961 -0.75 0.0 0
M  V30 3 C 7.5701 -1.2546 0.0 0
M  V30 4 N 5.3529 -2.2417 0.0 0
M  V30 5 C 3.8971 0.0 0.0 0 CFG=1
M  V30 6 C 6.8201 -2.5536 0.0 0
M  V30 7 N 2.598 -0.75 0.0 0
M  V30 8 C 3.8971 1.5 0.0 0
M  V30 9 C 1.299 0.0 0.0 0
M  V30 10 F 2.3971 1.5 0.0 0
M  V30 11 F 3.8971 3.0 0.0 0
M  V30 12 F 5.3971 1.5 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 N -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.2499 0.0 0
M  V30 16 C -2.598 -0.7499 0.0 0
M  V30 17 C -1.299 -2.9999 0.0 0
M  V30 18 N -4.0246 -0.2864 0.0 0
M  V30 19 N -2.598 -2.2499 0.0 0
M  V30 20 O -1.299 -4.4999 0.0 0
M  V30 21 C -4.9063 -1.4999 0.0 0
M  V30 22 N -4.0246 -2.7135 0.0 0
M  V30 23 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 5 2
M  V30 5 2 3 6
M  V30 6 1 5 7 CFG=1
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 8 12
M  V30 12 1 9 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 21 23
M  V30 23 1 4 6
M  V30 24 1 17 19
M  V30 25 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001170508716

>  <name>
NA

>  <smiles>
FC(F)(F)C(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1nccs1

$$$$
ZINC000493723702
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 12.9015 0.7499 0.0 0
M  V30 2 C 11.4015 0.7499 0.0 0
M  V30 3 N 10.5198 1.9635 0.0 0
M  V30 4 N 10.5198 -0.4635 0.0 0
M  V30 5 C 9.0932 1.5 0.0 0
M  V30 6 C 10.9833 3.3901 0.0 0
M  V30 7 C 9.0932 0.0 0.0 0
M  V30 8 C 10.9833 -1.8901 0.0 0
M  V30 9 C 7.7942 2.2499 0.0 0
M  V30 10 C 7.7942 -0.75 0.0 0
M  V30 11 C 6.4951 1.4999 0.0 0
M  V30 12 C 6.4951 0.0 0.0 0
M  V30 13 O 5.1961 2.25 0.0 0
M  V30 14 N 5.1961 -0.75 0.0 0
M  V30 15 C 3.8971 0.0 0.0 0
M  V30 16 O 3.8971 1.5 0.0 0
M  V30 17 C 2.598 -0.75 0.0 0
M  V30 18 C 1.299 0.0 0.0 0
M  V30 19 C 0.0 -0.75 0.0 0
M  V30 20 C -1.299 0.0 0.0 0
M  V30 21 C 0.0 -2.2499 0.0 0
M  V30 22 C -2.598 -0.7499 0.0 0
M  V30 23 C -1.299 -2.9999 0.0 0
M  V30 24 O -2.598 -2.2499 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 2 17 18 CFG=2
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 2 5 7
M  V30 25 1 11 12
M  V30 26 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000493723702

>  <name>
NA

>  <smiles>
Cn1c2cc(O)c(NC(=O)C=CC3CCOCC3)cc2n(C)c1=O

$$$$
ZINC001367200924
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 12.1243 1.4999 0.0 0
M  V30 2 C 11.2583 0.9999 0.0 0
M  V30 3 N 10.3923 1.4999 0.0 0
M  V30 4 C 11.2583 0.0 0.0 0
M  V30 5 C 9.5262 0.9999 0.0 0
M  V30 6 C 10.3923 -0.5 0.0 0
M  V30 7 C 8.6602 1.4999 0.0 0
M  V30 8 C 9.5262 0.0 0.0 0
M  V30 9 O 8.6602 2.4999 0.0 0
M  V30 10 N 7.7942 0.9999 0.0 0
M  V30 11 C 6.9282 1.4999 0.0 0
M  V30 12 C 6.0621 0.9999 0.0 0
M  V30 13 C 5.1961 1.4999 0.0 0
M  V30 14 C 6.0621 0.0 0.0 0
M  V30 15 C 4.3301 0.9999 0.0 0
M  V30 16 C 5.1961 -0.5 0.0 0
M  V30 17 C 4.3301 0.0 0.0 0
M  V30 18 C 3.4641 -0.5 0.0 0
M  V30 19 N 2.598 0.0 0.0 0
M  V30 20 C 1.732 -0.5 0.0 0
M  V30 21 C 0.866 0.0 0.0 0
M  V30 22 O 0.866 1.0 0.0 0
M  V30 23 N 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 2 7 9
M  V30 9 1 7 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 2 15 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 2 21 22
M  V30 22 1 21 23
M  V30 23 1 6 8
M  V30 24 1 16 17
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001367200924

>  <name>
NA

>  <smiles>
NC(=O)CNCc1ccc(CNC(=O)c2cccc(=O)[nH]2)cc1

$$$$
ZINC000910399413
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 5.1961 -3.5 0.0 0
M  V30 2 C 4.3301 -3.0 0.0 0
M  V30 3 C 4.3301 -2.0 0.0 0
M  V30 4 C 3.4641 -3.5 0.0 0
M  V30 5 C 3.4641 -1.5 0.0 0
M  V30 6 C 2.598 -3.0 0.0 0
M  V30 7 C 2.598 -2.0 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 9 O 3.4641 0.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 C 4.3301 0.0 0.0 0
M  V30 12 O 2.598 1.0 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 5.1961 -0.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 N -0.866 0.0 0.0 0
M  V30 18 C 0.0 -1.4999 0.0 0
M  V30 19 C -1.732 -0.4999 0.0 0
M  V30 20 C -0.866 -1.9999 0.0 0
M  V30 21 C -1.732 -1.4999 0.0 0
M  V30 22 O -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 5
M  V30 8 1 8 9 CFG=3
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 2 10 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 6 7
M  V30 23 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000910399413

>  <name>
NA

>  <smiles>
CCC(O)(C(=O)NCc1cc(=O)cc[nH]1)c1cccc(Cl)c1

$$$$
ZINC001363853994
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.8131 -3.2132 0.0 0
M  V30 2 C 5.4009 -2.4042 0.0 0
M  V30 3 N 6.3954 -2.5087 0.0 0
M  V30 4 C 4.9942 -1.4906 0.0 0
M  V30 5 N 6.9832 -3.3177 0.0 0
M  V30 6 C 6.9832 -1.6997 0.0 0
M  V30 7 C 5.582 -0.6816 0.0 0
M  V30 8 C 7.9343 -3.0087 0.0 0
M  V30 9 N 7.9343 -2.0087 0.0 0
M  V30 10 N 6.5765 -0.7861 0.0 0
M  V30 11 C 5.1752 0.2318 0.0 0
M  V30 12 N 8.7433 -3.5965 0.0 0
M  V30 13 N 4.1807 0.3364 0.0 0
M  V30 14 C 3.6807 1.2024 0.0 0
M  V30 15 C 3.5116 -0.4067 0.0 0
M  V30 16 C 2.7026 0.9945 0.0 0
M  V30 17 C 2.598 0.0 0.0 0
M  V30 18 C 1.9594 1.6636 0.0 0
M  V30 19 C 1.732 -0.5 0.0 0
M  V30 20 O 1.0084 1.3546 0.0 0
M  V30 21 C 0.866 0.0 0.0 0
M  V30 22 O 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 1 7 10
M  V30 23 1 8 9
M  V30 24 1 16 17
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001363853994

>  <name>
NA

>  <smiles>
OCCC1CN(Cc2cc(=O)n3[nH]c(=N)nc3[nH]2)CC1CO

$$$$
ZINC000923755084
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 3.4344 -0.9521 0.0 0
M  V30 2 C 2.5105 -1.3348 0.0 0
M  V30 3 C 1.7172 -0.726 0.0 0
M  V30 4 C 2.38 -2.3262 0.0 0
M  V30 5 C 0.7933 -1.1087 0.0 0
M  V30 6 C 1.4561 -2.7089 0.0 0
M  V30 7 C 0.6628 -2.1002 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.9659 -0.2411 0.0 0
M  V30 11 C -0.2588 -1.4659 0.0 0
M  V30 12 C 0.866 0.9999 0.0 0
M  V30 13 C -1.2247 -1.2071 0.0 0
M  V30 14 O 0.0 1.5 0.0 0
M  V30 15 N 1.732 1.4999 0.0 0
M  V30 16 C 1.732 2.4999 0.0 0 CFG=2
M  V30 17 C 0.923 3.0877 0.0 0
M  V30 18 C 2.541 3.0877 0.0 0
M  V30 19 O 1.232 4.0388 0.0 0
M  V30 20 C 2.232 4.0388 0.0 0
M  V30 21 O 2.8198 4.8478 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 16 15 CFG=3
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 20 21
M  V30 21 1 6 7
M  V30 22 1 11 13
M  V30 23 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 16)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000923755084

>  <name>
NA

>  <smiles>
Clc1cccc(c1)C1(CCC1)NC(=O)NC1COC(=O)C1

$$$$
ZINC000373622372
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.0621 -1.9999 0.0 0
M  V30 2 C 5.1961 -1.4999 0.0 0
M  V30 3 C 5.1961 -0.5 0.0 0
M  V30 4 C 4.3301 -1.9999 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0
M  V30 6 C 3.4641 -1.5 0.0 0
M  V30 7 C 3.4641 -0.5 0.0 0
M  V30 8 C 4.3301 1.0 0.0 0
M  V30 9 N 2.598 0.0 0.0 0
M  V30 10 C 5.1391 1.5877 0.0 0
M  V30 11 C 3.5211 1.5877 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 N 4.8301 2.5388 0.0 0
M  V30 14 N 3.8301 2.5388 0.0 0
M  V30 15 O 1.732 -1.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 3.2423 3.3478 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0 CFG=2
M  V30 19 C -0.9135 -0.0932 0.0 0
M  V30 20 C -0.1045 -1.4945 0.0 0
M  V30 21 O -1.5826 -0.8364 0.0 0
M  V30 22 C -1.0826 -1.7024 0.0 0
M  V30 23 O -1.4894 -2.6159 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 8 11
M  V30 11 1 9 12
M  V30 12 2 10 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 14 17
M  V30 17 1 18 16 CFG=1
M  V30 18 1 18 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 22 23
M  V30 23 1 6 7
M  V30 24 1 13 14
M  V30 25 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 18)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000373622372

>  <name>
NA

>  <smiles>
Cn1cc(cn1)-c1cc(F)ccc1NC(=O)CC1COC(=O)C1

$$$$
ZINC001460240910
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.4033 -4.177 0.0 0
M  V30 2 C 6.8101 -3.2634 0.0 0
M  V30 3 N 7.8046 -3.1589 0.0 0
M  V30 4 C 6.2223 -2.4544 0.0 0
M  V30 5 N 8.5478 -3.828 0.0 0
M  V30 6 C 8.2113 -2.2453 0.0 0
M  V30 7 C 6.629 -1.5408 0.0 0
M  V30 8 C 9.4138 -3.328 0.0 0
M  V30 9 N 9.2059 -2.3499 0.0 0
M  V30 10 N 7.6236 -1.4363 0.0 0
M  V30 11 C 6.0412 -0.7318 0.0 0
M  V30 12 N 10.3273 -3.7347 0.0 0
M  V30 13 N 5.0467 -0.8364 0.0 0
M  V30 14 C 4.3776 -0.0932 0.0 0
M  V30 15 C 4.5467 -1.7024 0.0 0
M  V30 16 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 17 C 3.5686 -1.4945 0.0 0
M  V30 18 C 2.598 0.0 0.0 0
M  V30 19 C 1.732 -0.5 0.0 0
M  V30 20 C 0.866 0.0 0.0 0
M  V30 21 O 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 16 14
M  V30 16 1 15 17
M  V30 17 1 16 18 CFG=3
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 1 7 10
M  V30 22 1 8 9
M  V30 23 1 16 17
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 16)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001460240910

>  <name>
NA

>  <smiles>
OCCCC1CCN(Cc2cc(=O)n3[nH]c(=N)nc3[nH]2)C1

$$$$
ZINC001556932518
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 0.0 0.0 0
M  V30 2 C 6.9282 -0.5 0.0 0
M  V30 3 C 6.0621 0.0 0.0 0
M  V30 4 C 6.9282 -1.5 0.0 0
M  V30 5 C 5.1961 -0.5 0.0 0
M  V30 6 C 6.0621 -2.0 0.0 0
M  V30 7 N 5.1961 -1.5 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 N 3.4641 -0.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 O 2.598 1.0 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 O 1.732 -1.5 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 O 0.866 1.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 N -0.9135 -0.0932 0.0 0
M  V30 18 N -0.1045 -1.4945 0.0 0
M  V30 19 C -1.5826 -0.8364 0.0 0
M  V30 20 C -1.0826 -1.7024 0.0 0
M  V30 21 C -2.5826 -0.8364 0.0 0
M  V30 22 C -1.5826 -2.5684 0.0 0
M  V30 23 C -3.0826 -1.7024 0.0 0
M  V30 24 C -2.5826 -2.5684 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 2 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 2 22 24
M  V30 24 1 6 7
M  V30 25 2 19 20
M  V30 26 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001556932518

>  <name>
NA

>  <smiles>
OC(NCc1cc(=O)cc[nH]1)C(=O)C(O)c1nc2ccccc2[nH]1

$$$$
ZINC000330651049
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 21 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.75 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 C 5.1961 2.25 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 5.1961 3.75 0.0 0
M  V30 9 C 2.598 -0.75 0.0 0
M  V30 10 C 3.8971 4.5 0.0 0
M  V30 11 O 2.598 -2.25 0.0 0
M  V30 12 N 1.299 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 C -1.3703 -0.1398 0.0 0
M  V30 15 C -0.1567 -2.2417 0.0 0
M  V30 16 C 1.258 -1.5669 0.0 0
M  V30 17 C -2.374 -1.2546 0.0 0
M  V30 18 C -1.624 -2.5536 0.0 0
M  V30 19 C 1.1795 -3.0649 0.0 0
M  V30 20 O 2.4375 -3.8818 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 19 20
M  V30 20 1 6 7
M  V30 21 1 17 18
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000330651049

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CCO)CCCC1

$$$$
ZINC001451531871
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 9.0461 -0.6816 0.0 0
M  V30 2 C 8.6393 0.2318 0.0 0
M  V30 3 F 9.2271 1.0408 0.0 0
M  V30 4 C 7.6448 0.3364 0.0 0
M  V30 5 N 7.1448 1.2024 0.0 0
M  V30 6 C 6.9757 -0.4067 0.0 0
M  V30 7 N 6.1667 0.9945 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 C 5.1961 -0.5 0.0 0
M  V30 10 O 5.1961 -1.4999 0.0 0
M  V30 11 N 4.3301 0.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0
M  V30 13 C 2.598 0.0 0.0 0 CFG=2
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 2.598 1.0 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 O 1.732 1.5 0.0 0
M  V30 18 O 0.866 1.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 N -0.9135 -0.0932 0.0 0
M  V30 21 N -0.1045 -1.4945 0.0 0
M  V30 22 C -1.5826 -0.8364 0.0 0
M  V30 23 C -1.0826 -1.7024 0.0 0
M  V30 24 C -2.5771 -0.7318 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 4 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 13 12
M  V30 13 1 13 14 CFG=3
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 2 7 8
M  V30 25 2 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001451531871

>  <name>
NA

>  <smiles>
Cc1c[nH]c(n1)C(=O)NC(CO)CNC(=O)c1cc([nH]n1)C(F)F

$$$$
ZINC000080969958
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 9.0932 -3.0 0.0 0
M  V30 2 C 7.7942 -2.2499 0.0 0
M  V30 3 N 7.7942 -0.75 0.0 0
M  V30 4 C 6.4951 -2.9999 0.0 0
M  V30 5 N 6.4951 0.0 0.0 0
M  V30 6 C 9.0932 0.0 0.0 0
M  V30 7 C 5.1961 -2.25 0.0 0
M  V30 8 C 5.1961 -0.75 0.0 0
M  V30 9 C 10.3923 -0.75 0.0 0
M  V30 10 C 9.0932 1.4999 0.0 0
M  V30 11 C 3.8971 0.0 0.0 0
M  V30 12 C 11.6913 0.0 0.0 0
M  V30 13 C 10.3923 2.2499 0.0 0
M  V30 14 O 3.8971 1.5 0.0 0
M  V30 15 N 2.598 -0.75 0.0 0
M  V30 16 C 11.6913 1.4999 0.0 0
M  V30 17 C 1.299 0.0 0.0 0
M  V30 18 C 2.598 -2.25 0.0 0
M  V30 19 C 0.0 -0.75 0.0 0
M  V30 20 N -1.3703 -0.1398 0.0 0
M  V30 21 C -0.1567 -2.2417 0.0 0
M  V30 22 C -2.374 -1.2546 0.0 0
M  V30 23 C -1.624 -2.5536 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 2 10 13
M  V30 13 2 11 14
M  V30 14 1 11 15
M  V30 15 2 12 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 2 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 7 8
M  V30 24 1 13 16
M  V30 25 2 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000080969958

>  <name>
NA

>  <smiles>
CN(Cc1ccc[nH]1)C(=O)c1ccc(=O)n(n1)-c1ccccc1

$$$$
ZINC001627906106
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 3.9999 0.0 0
M  V30 2 C 2.598 2.9999 0.0 0
M  V30 3 N 3.4641 2.4999 0.0 0
M  V30 4 C 1.732 2.4999 0.0 0
M  V30 5 C 3.4641 1.4999 0.0 0
M  V30 6 C 1.732 1.4999 0.0 0
M  V30 7 C 2.598 0.9999 0.0 0
M  V30 8 C 4.3301 0.9999 0.0 0
M  V30 9 C 0.866 0.9999 0.0 0
M  V30 10 O 0.0 1.5 0.0 0
M  V30 11 N 0.866 0.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C 0.8386 -1.0446 0.0 0
M  V30 14 C -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 C 0.7863 -2.0432 0.0 0
M  V30 17 C 1.7296 -0.5906 0.0 0
M  V30 18 C -1.5826 -0.8364 0.0 0
M  V30 19 C -1.0826 -1.7024 0.0 0
M  V30 20 C 1.625 -2.5879 0.0 0
M  V30 21 C 2.5683 -1.1352 0.0 0
M  V30 22 C 2.516 -2.1339 0.0 0
M  V30 23 C 1.5726 -3.5865 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 2 17 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 6 7
M  V30 24 1 18 19
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001627906106

>  <name>
NA

>  <smiles>
Cc1cccc(c1)C1(CCCC1)NC(=O)c1cc(C)[nH]c(=O)c1

$$$$
ZINC001413463121
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.75 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 C 5.1961 2.25 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 5.1961 3.75 0.0 0
M  V30 9 C 2.598 -0.75 0.0 0 CFG=2
M  V30 10 C 2.598 2.25 0.0 0
M  V30 11 C 3.8971 4.5 0.0 0
M  V30 12 O 2.598 -2.25 0.0 0
M  V30 13 N 1.299 0.0 0.0 0
M  V30 14 C 2.598 3.7499 0.0 0
M  V30 15 C 0.0 -0.75 0.0 0
M  V30 16 C -0.1957 0.7371 0.0 0
M  V30 17 C -0.3882 -2.1988 0.0 0
M  V30 18 C -1.4488 -0.3617 0.0 0
M  V30 19 N -1.514 1.4529 0.0 0
M  V30 20 N 0.8922 1.7696 0.0 0
M  V30 21 C -1.8371 -1.8106 0.0 0
M  V30 22 C -1.2406 2.9277 0.0 0
M  V30 23 C 0.2465 3.1235 0.0 0
M  V30 24 C -2.2731 4.0158 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 9 6
M  V30 9 1 7 10
M  V30 10 2 8 11
M  V30 11 1 9 12 CFG=3
M  V30 12 1 9 13
M  V30 13 2 10 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 1 16 20
M  V30 20 1 17 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 22 24
M  V30 24 1 6 7
M  V30 25 1 11 14
M  V30 26 1 18 21
M  V30 27 2 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001413463121

>  <name>
NA

>  <smiles>
Cc1c[nH]c(n1)C1(CCC1)NC(O)c1cc(=O)[nH]c2ccccc12

$$$$
ZINC001414888130
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 8.6393 0.2318 0.0 0
M  V30 2 C 7.6448 0.3364 0.0 0
M  V30 3 N 7.1448 1.2024 0.0 0
M  V30 4 N 6.9757 -0.4067 0.0 0
M  V30 5 C 6.1667 0.9945 0.0 0
M  V30 6 C 7.5515 2.1159 0.0 0
M  V30 7 C 6.0621 0.0 0.0 0
M  V30 8 C 5.1961 -0.5 0.0 0
M  V30 9 O 5.1961 -1.4999 0.0 0
M  V30 10 N 4.3301 0.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 C 3.4641 -1.5 0.0 0
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 C 2.9641 -2.366 0.0 0
M  V30 15 C 3.9641 -2.366 0.0 0
M  V30 16 N 1.732 -0.5 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 O 0.866 1.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 N -0.9135 -0.0932 0.0 0
M  V30 21 C -0.1045 -1.4945 0.0 0
M  V30 22 C -1.5826 -0.8364 0.0 0
M  V30 23 N -1.0826 -1.7024 0.0 0
M  V30 24 O -2.5771 -0.7318 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 2 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 2 5 7
M  V30 25 1 14 15
M  V30 26 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001414888130

>  <name>
NA

>  <smiles>
Cn1cc([nH]c1=O)C(=O)NC(CNC(O)c1c[nH]c(=O)[nH]1)C1CC1

$$$$
ZINC001454207550
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 7.6448 0.3364 0.0 0
M  V30 2 C 7.1448 1.2024 0.0 0
M  V30 3 C 6.9757 -0.4067 0.0 0
M  V30 4 O 7.5515 2.1159 0.0 0
M  V30 5 N 6.1667 0.9945 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 O 5.1961 -1.4999 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 3.4641 -1.5 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 C 2.9641 -2.366 0.0 0
M  V30 14 C 3.9641 -2.366 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 O 0.866 1.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 N -0.9135 -0.0932 0.0 0
M  V30 20 C -0.1045 -1.4945 0.0 0
M  V30 21 C -1.5826 -0.8364 0.0 0
M  V30 22 N -1.0826 -1.7024 0.0 0
M  V30 23 O -2.5771 -0.7318 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 2 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 5 6
M  V30 24 1 13 14
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001454207550

>  <name>
NA

>  <smiles>
OC(NCC(NC(=O)c1csc(=O)[nH]1)C1CC1)c1c[nH]c(=O)[nH]1

$$$$
ZINC000637521621
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 1.9884 4.0506 0.0 0
M  V30 2 C 0.7984 3.1374 0.0 0
M  V30 3 C 0.9942 1.6503 0.0 0
M  V30 4 C -0.5873 3.7115 0.0 0
M  V30 5 C -0.1957 0.7371 0.0 0
M  V30 6 C -1.7773 2.7983 0.0 0
M  V30 7 C -1.5816 1.3111 0.0 0
M  V30 8 C 0.0 -0.75 0.0 0
M  V30 9 N 1.299 0.0 0.0 0
M  V30 10 C -0.3882 -2.1988 0.0 0
M  V30 11 C -1.4488 -0.3617 0.0 0
M  V30 12 C 2.598 -0.75 0.0 0
M  V30 13 C -1.8371 -1.8106 0.0 0
M  V30 14 O 2.598 -2.25 0.0 0
M  V30 15 N 3.8971 0.0 0.0 0
M  V30 16 C 5.1961 -0.75 0.0 0
M  V30 17 C 6.4951 0.0 0.0 0
M  V30 18 C 7.7942 -0.7499 0.0 0
M  V30 19 C 6.4951 1.4999 0.0 0
M  V30 20 O 7.7942 -2.2499 0.0 0
M  V30 21 N 9.0932 0.0 0.0 0
M  V30 22 C 7.7942 2.2499 0.0 0
M  V30 23 C 9.0932 1.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 21 23
M  V30 23 1 6 7
M  V30 24 1 11 13
M  V30 25 2 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000637521621

>  <name>
NA

>  <smiles>
Clc1cccc(c1)C1(CCC1)NC(=O)NCc1ccc[nH]c1=O

$$$$
ZINC000615063007
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 6.4952 0.0 0.0 0
M  V30 2 O 7.2452 1.299 0.0 0
M  V30 3 O 5.7452 1.299 0.0 0
M  V30 4 N 7.7942 -0.75 0.0 0
M  V30 5 N 5.1961 -0.75 0.0 0
M  V30 6 C 9.0932 0.0 0.0 0
M  V30 7 C 7.7942 -2.25 0.0 0
M  V30 8 C 3.8971 0.0 0.0 0
M  V30 9 C 2.598 -0.75 0.0 0
M  V30 10 O 2.598 -2.25 0.0 0
M  V30 11 N 1.299 0.0 0.0 0
M  V30 12 C 0.0 -0.75 0.0 0
M  V30 13 C -1.299 0.0 0.0 0
M  V30 14 C 0.0 -2.25 0.0 0
M  V30 15 O -1.299 1.5 0.0 0
M  V30 16 C -2.598 -0.75 0.0 0
M  V30 17 C -1.299 -3.0 0.0 0
M  V30 18 C -2.598 -2.25 0.0 0
M  V30 19 N -1.6109 -4.4672 0.0 0
M  V30 20 N -3.7127 -3.2537 0.0 0
M  V30 21 C -3.1026 -4.624 0.0 0
M  V30 22 C -0.6072 -5.5819 0.0 0
M  V30 23 C -5.18 -2.9418 0.0 0
M  V30 24 O -3.8526 -5.923 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 2 1 3
M  V30 3 1 1 4
M  V30 4 1 1 5
M  V30 5 1 4 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 21 24
M  V30 24 1 17 18
M  V30 25 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000615063007

>  <name>
NA

>  <smiles>
CN(C)S(=O)(=O)NCC(=O)Nc1cc2n(C)c(=O)n(C)c2cc1O

$$$$
ZINC001062420999
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 1.9884 -5.3006 0.0 0
M  V30 2 C 2.119 -4.3091 0.0 0
M  V30 3 N 3.0428 -3.9264 0.0 0
M  V30 4 C 1.3256 -3.7004 0.0 0
M  V30 5 C 3.1734 -2.935 0.0 0
M  V30 6 C 1.4561 -2.7089 0.0 0
M  V30 7 C 2.38 -2.3262 0.0 0
M  V30 8 C 4.0972 -2.5523 0.0 0
M  V30 9 C 0.6628 -2.1002 0.0 0
M  V30 10 C 4.2278 -1.5609 0.0 0
M  V30 11 O -0.261 -2.4828 0.0 0
M  V30 12 N 0.7933 -1.1087 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0
M  V30 14 C -0.9659 -0.2411 0.0 0
M  V30 15 C -0.2588 -1.4659 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C -1.2247 -1.2071 0.0 0
M  V30 18 N 1.732 -0.5 0.0 0
M  V30 19 C 2.598 0.0 0.0 0
M  V30 20 O 2.598 1.0 0.0 0
M  V30 21 C 3.4641 -0.5 0.0 0
M  V30 22 C 4.3301 0.0 0.0 0
M  V30 23 C 5.1961 -0.5 0.0 0
M  V30 24 C 4.3301 1.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 22 24
M  V30 24 1 6 7
M  V30 25 1 15 17
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001062420999

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CNC(=O)CC(C)C)CCC1

$$$$
ZINC000658813074
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.8985 3.4487 0.0 0
M  V30 2 C 6.3985 2.5826 0.0 0
M  V30 3 N 5.404 2.4781 0.0 0
M  V30 4 N 6.8053 1.6691 0.0 0
M  V30 5 C 5.1961 1.5 0.0 0
M  V30 6 C 4.7349 3.2212 0.0 0
M  V30 7 C 6.0621 1.0 0.0 0
M  V30 8 C 7.7834 1.4612 0.0 0
M  V30 9 C 4.3301 1.0 0.0 0
M  V30 10 C 6.0621 0.0 0.0 0
M  V30 11 C 4.3301 0.0 0.0 0
M  V30 12 C 5.1961 -0.4999 0.0 0
M  V30 13 N 3.4641 -0.5 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 O 2.598 1.0 0.0 0
M  V30 16 C 1.732 -0.5 0.0 0
M  V30 17 O 1.732 -1.5 0.0 0
M  V30 18 N 0.866 0.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 C -0.2588 0.4659 0.0 0 CFG=1
M  V30 21 C -0.4999 -1.366 0.0 0
M  V30 22 C -0.9999 -0.5 0.0 0
M  V30 23 O -1.2247 0.7247 0.0 0
M  V30 24 C 0.4482 1.173 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 20 19
M  V30 20 1 19 21
M  V30 21 1 19 22
M  V30 22 1 20 23 CFG=1
M  V30 23 1 20 24
M  V30 24 2 5 7
M  V30 25 1 11 12
M  V30 26 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 20)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000658813074

>  <name>
NA

>  <smiles>
CC(O)C1(CC1)NC(=O)C(=O)Nc1ccc2n(C)c(=O)n(C)c2c1

$$$$
ZINC001174169990
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 1.732 -0.5 0.0 0
M  V30 2 C 0.866 0.0 0.0 0
M  V30 3 N 0.866 1.0 0.0 0
M  V30 4 C 0.0 -0.5 0.0 0
M  V30 5 C 1.675 1.5877 0.0 0
M  V30 6 C 0.057 1.5877 0.0 0
M  V30 7 C -0.866 0.0 0.0 0
M  V30 8 C 0.0 -1.4999 0.0 0
M  V30 9 C 1.366 2.5388 0.0 0
M  V30 10 C 0.366 2.5388 0.0 0
M  V30 11 C -1.732 -0.4999 0.0 0
M  V30 12 C -0.866 -1.9999 0.0 0
M  V30 13 N -2.598 0.0 0.0 0
M  V30 14 C -1.732 -1.4999 0.0 0
M  V30 15 C -3.4641 -0.4999 0.0 0
M  V30 16 C -4.3301 0.0 0.0 0
M  V30 17 C -3.4641 -1.4999 0.0 0
M  V30 18 O -4.3301 1.0 0.0 0
M  V30 19 C -5.1961 -0.4999 0.0 0
M  V30 20 C -4.3301 -1.9999 0.0 0
M  V30 21 C -5.1961 -1.4999 0.0 0
M  V30 22 O -6.0621 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 2 11 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 2 19 21
M  V30 21 1 21 22
M  V30 22 1 9 10
M  V30 23 1 12 14
M  V30 24 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001174169990

>  <name>
NA

>  <smiles>
Oc1ccc(Nc2cccc(c2)C(=O)N2CCCC2)c(O)c1

$$$$
ZINC000566550443
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 1.732 -1.5 0.0 0
M  V30 2 C 1.732 -0.5 0.0 0
M  V30 3 N 2.598 0.0 0.0 0
M  V30 4 N 0.866 0.0 0.0 0
M  V30 5 C 3.4641 -0.5 0.0 0
M  V30 6 C 0.0 -0.5 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 3.4641 -1.5 0.0 0
M  V30 9 C -0.0523 0.4986 0.0 0
M  V30 10 C -0.1045 -1.4945 0.0 0
M  V30 11 C -0.9135 -0.0932 0.0 0
M  V30 12 C 5.1961 -0.4999 0.0 0
M  V30 13 C 4.3301 -2.0 0.0 0
M  V30 14 N 0.7248 1.1279 0.0 0
M  V30 15 N -0.891 1.0432 0.0 0
M  V30 16 C -1.0826 -1.7024 0.0 0
M  V30 17 C -1.5826 -0.8364 0.0 0
M  V30 18 C 5.1961 -1.4999 0.0 0
M  V30 19 C 6.1472 -0.1909 0.0 0
M  V30 20 O 0.3664 2.0615 0.0 0
M  V30 21 C -0.6321 2.0091 0.0 0
M  V30 22 C 6.1472 -1.809 0.0 0
M  V30 23 N 6.7349 -0.9999 0.0 0
M  V30 24 C -1.2615 2.7863 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 6 11
M  V30 11 1 7 12
M  V30 12 2 8 13
M  V30 13 2 9 14
M  V30 14 1 9 15
M  V30 15 1 10 16
M  V30 16 1 11 17
M  V30 17 2 12 18
M  V30 18 1 12 19
M  V30 19 1 14 20
M  V30 20 2 15 21
M  V30 21 1 18 22
M  V30 22 1 19 23
M  V30 23 1 21 24
M  V30 24 1 13 18
M  V30 25 1 16 17
M  V30 26 1 20 21
M  V30 27 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000566550443

>  <name>
NA

>  <smiles>
Cc1nc(no1)C1(CCCC1)NC(=O)Nc1ccc2CNCc2c1

$$$$
ZINC000943149357
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.0874 2.1159 0.0 0
M  V30 2 C 3.6807 1.2024 0.0 0
M  V30 3 N 2.7026 0.9945 0.0 0
M  V30 4 C 4.1807 0.3364 0.0 0
M  V30 5 C 2.598 0.0 0.0 0
M  V30 6 C 3.5116 -0.4067 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 C 0.866 0.0 0.0 0
M  V30 9 O 0.866 1.0 0.0 0
M  V30 10 N 0.0 -0.5 0.0 0
M  V30 11 C -0.8262 0.0633 0.0 0
M  V30 12 C 0.0747 -1.4972 0.0 0
M  V30 13 C -1.7818 -0.2314 0.0 0
M  V30 14 C -0.6583 -2.1773 0.0 0
M  V30 15 N -2.4619 0.5016 0.0 0
M  V30 16 C -2.1471 -1.1623 0.0 0
M  V30 17 C -1.6471 -2.0283 0.0 0
M  V30 18 C -2.1672 1.4571 0.0 0
M  V30 19 O -1.1923 1.6797 0.0 0
M  V30 20 C -2.8474 2.1902 0.0 0
M  V30 21 C -2.6541 3.1713 0.0 0
M  V30 22 C -3.8402 2.0708 0.0 0
M  V30 23 C -3.5275 3.6583 0.0 0
M  V30 24 C -4.2606 2.9782 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 5 6
M  V30 25 1 16 17
M  V30 26 2 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000943149357

>  <name>
NA

>  <smiles>
O=C(CC1CCC(=O)N1)N1CCCCC(C1)NC(=O)C1CC=CC1

$$$$
ZINC000334603059
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 21 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 5.1961 1.5 0.0 0
M  V30 2 C 4.3301 1.0 0.0 0
M  V30 3 C 3.4641 1.5 0.0 0
M  V30 4 C 4.3301 0.0 0.0 0
M  V30 5 C 2.598 0.9999 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 O 1.732 1.4999 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 N 1.732 -0.5 0.0 0
M  V30 10 C 0.866 0.0 0.0 0
M  V30 11 O 0.866 1.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C -0.866 0.0 0.0 0
M  V30 14 C 0.0 -1.4999 0.0 0
M  V30 15 C -1.732 -0.4999 0.0 0
M  V30 16 C -0.866 -1.9999 0.0 0
M  V30 17 O -2.598 0.0 0.0 0
M  V30 18 N -1.732 -1.4999 0.0 0
M  V30 19 C -0.866 -2.9999 0.0 0
M  V30 20 C 0.0 -3.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 19 20
M  V30 20 1 6 8
M  V30 21 1 16 18
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000334603059

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)Nc1ccc(F)cc1O

$$$$
ZINC000621278464
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.8545 3.7682 0.0 0
M  V30 2 C 6.9034 3.4592 0.0 0
M  V30 3 N 6.1603 4.1283 0.0 0
M  V30 4 C 6.6955 2.481 0.0 0
M  V30 5 N 6.1603 5.1283 0.0 0
M  V30 6 C 5.2092 3.8193 0.0 0
M  V30 7 C 5.7445 2.172 0.0 0
M  V30 8 C 5.2092 5.4373 0.0 0
M  V30 9 N 4.6215 4.6283 0.0 0
M  V30 10 N 5.0013 2.8411 0.0 0
M  V30 11 C 5.5366 1.1939 0.0 0
M  V30 12 N 4.9002 6.3884 0.0 0
M  V30 13 N 4.5855 0.8848 0.0 0
M  V30 14 C 4.3776 -0.0932 0.0 0
M  V30 15 C 3.4641 -0.5 0.0 0
M  V30 16 C 5.0467 -0.8364 0.0 0
M  V30 17 C 3.5686 -1.4945 0.0 0
M  V30 18 C 2.598 0.0 0.0 0
M  V30 19 C 4.5467 -1.7024 0.0 0
M  V30 20 C 1.732 -0.5 0.0 0
M  V30 21 C 0.866 0.0 0.0 0
M  V30 22 C 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 1 21 22
M  V30 22 1 7 10
M  V30 23 1 8 9
M  V30 24 1 17 19
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000621278464

>  <name>
NA

>  <smiles>
CCCCC1CCCC1NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC001100822790
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 8.9619 -6.697 0.0 0
M  V30 2 C 8.6529 -5.7459 0.0 0
M  V30 3 C 8.1529 -7.2847 0.0 0
M  V30 4 C 7.6529 -5.7459 0.0 0
M  V30 5 C 8.9619 -4.7948 0.0 0
M  V30 6 C 7.3439 -6.697 0.0 0
M  V30 7 N 7.3439 -4.7948 0.0 0
M  V30 8 C 8.1529 -4.2071 0.0 0
M  V30 9 C 8.1529 -3.2071 0.0 0
M  V30 10 O 9.0189 -2.7071 0.0 0
M  V30 11 N 7.2869 -2.7071 0.0 0
M  V30 12 C 7.2869 -1.7071 0.0 0
M  V30 13 C 6.4208 -1.2071 0.0 0
M  V30 14 C 6.162 -0.2411 0.0 0
M  V30 15 C 5.4549 -1.4659 0.0 0
M  V30 16 C 5.1961 -0.5 0.0 0
M  V30 17 N 4.3301 0.0 0.0 0
M  V30 18 C 3.4641 -0.5 0.0 0
M  V30 19 C 2.598 0.0 0.0 0
M  V30 20 O 2.598 1.0 0.0 0
M  V30 21 N 1.732 -0.5 0.0 0
M  V30 22 C 0.866 0.0 0.0 0
M  V30 23 O 0.866 1.0 0.0 0
M  V30 24 N 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 4 7
M  V30 7 2 5 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 2 22 23
M  V30 23 1 22 24
M  V30 24 1 4 6
M  V30 25 1 7 8
M  V30 26 1 15 16
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001100822790

>  <name>
NA

>  <smiles>
NC(=O)NC(=O)CNC1CC(CNC(=O)c2cc3sccc3[nH]2)C1

$$$$
ZINC000332371797
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 9.0932 -3.0 0.0 0
M  V30 2 C 7.7942 -2.25 0.0 0
M  V30 3 C 7.7942 -0.75 0.0 0
M  V30 4 C 6.4951 -2.9999 0.0 0
M  V30 5 C 6.4951 0.0 0.0 0
M  V30 6 C 5.1961 -2.25 0.0 0
M  V30 7 N 6.4951 1.4999 0.0 0
M  V30 8 C 5.1961 -0.7499 0.0 0
M  V30 9 C 5.1961 2.25 0.0 0
M  V30 10 C 3.8971 0.0 0.0 0
M  V30 11 O 5.1961 3.75 0.0 0
M  V30 12 C 3.8971 1.4999 0.0 0
M  V30 13 C 2.598 -0.75 0.0 0
M  V30 14 O 2.598 -2.25 0.0 0
M  V30 15 N 1.299 0.0 0.0 0
M  V30 16 C 0.0 -0.75 0.0 0
M  V30 17 C -1.299 0.0 0.0 0
M  V30 18 C 0.0 -2.2499 0.0 0
M  V30 19 F -1.299 1.5 0.0 0
M  V30 20 C -2.598 -0.7499 0.0 0
M  V30 21 C -1.299 -2.9999 0.0 0
M  V30 22 C -2.598 -2.2499 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 20 22
M  V30 22 1 6 8
M  V30 23 2 10 12
M  V30 24 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000332371797

>  <name>
NA

>  <smiles>
OC(NC1CCCCC1F)c1cc(=O)[nH]c2cc(F)ccc12

$$$$
ZINC001473395115
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O -1.4811 -2.7151 0.0 0
M  V30 2 C -0.6721 -3.3028 0.0 0
M  V30 3 N -0.7767 -4.2974 0.0 0
M  V30 4 C 0.2413 -2.8961 0.0 0
M  V30 5 N -1.5857 -4.8851 0.0 0
M  V30 6 C 0.0323 -4.8851 0.0 0
M  V30 7 C 1.0503 -3.4839 0.0 0
M  V30 8 C -1.2767 -5.8362 0.0 0
M  V30 9 N -0.2767 -5.8362 0.0 0
M  V30 10 N 0.9458 -4.4784 0.0 0
M  V30 11 C 1.9639 -3.0771 0.0 0
M  V30 12 N -1.8644 -6.6452 0.0 0
M  V30 13 N 2.0684 -2.0826 0.0 0
M  V30 14 C 1.3253 -1.4135 0.0 0
M  V30 15 C 2.9344 -1.5826 0.0 0
M  V30 16 C 1.732 -0.5 0.0 0
M  V30 17 C 2.7265 -0.6045 0.0 0
M  V30 18 C 2.3198 0.309 0.0 0
M  V30 19 C 0.866 0.0 0.0 0
M  V30 20 O 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 1 19 20
M  V30 20 1 7 10
M  V30 21 1 8 9
M  V30 22 1 16 17
M  V30 23 1 17 18
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001473395115

>  <name>
NA

>  <smiles>
OCC12CC1CN(Cc1cc(=O)n3[nH]c(=N)nc3[nH]1)C2

$$$$
ZINC001644695204
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.4641 -1.5 0.0 0
M  V30 2 C 3.4641 -0.5 0.0 0
M  V30 3 N 4.3301 0.0 0.0 0
M  V30 4 C 2.598 0.0 0.0 0
M  V30 5 C 5.1961 -0.5 0.0 0
M  V30 6 N 1.732 -0.5 0.0 0
M  V30 7 C 5.1961 -1.5 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 C 1.732 -1.5 0.0 0
M  V30 10 C 0.866 0.0 0.0 0
M  V30 11 O 4.3301 -1.9999 0.0 0
M  V30 12 C 6.0621 -2.0 0.0 0
M  V30 13 C 6.9282 -0.5 0.0 0
M  V30 14 C 0.866 -1.9999 0.0 0
M  V30 15 C 2.598 -2.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C 6.9282 -1.5 0.0 0
M  V30 19 C 0.866 -2.9999 0.0 0
M  V30 20 C 2.598 -3.0 0.0 0
M  V30 21 O 7.7942 -2.0 0.0 0
M  V30 22 C 1.732 -3.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 7 12
M  V30 12 2 8 13
M  V30 13 2 9 14
M  V30 14 1 9 15
M  V30 15 2 10 16
M  V30 16 1 10 17
M  V30 17 2 12 18
M  V30 18 1 14 19
M  V30 19 2 15 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 1 13 18
M  V30 23 1 20 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001644695204

>  <name>
NA

>  <smiles>
CC(=O)N(CC(=O)Nc1ccc(O)cc1O)c1ccccc1

$$$$
ZINC001362700344
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 21 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 5.1961 2.4999 0.0 0
M  V30 2 C 5.1961 1.4999 0.0 0
M  V30 3 C 4.3301 1.0 0.0 0
M  V30 4 C 6.0621 0.9999 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 9 O 3.4641 -1.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 O 2.598 1.0 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0
M  V30 15 N -0.866 0.0 0.0 0
M  V30 16 C 0.0 -1.4999 0.0 0
M  V30 17 C -1.732 -0.4999 0.0 0
M  V30 18 C -0.866 -1.9999 0.0 0
M  V30 19 C -1.732 -1.4999 0.0 0
M  V30 20 O -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 5
M  V30 8 1 8 9 CFG=1
M  V30 9 1 8 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 2 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 2 18 20
M  V30 20 1 6 7
M  V30 21 1 18 19
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001362700344

>  <name>
NA

>  <smiles>
OC(C(=O)NCc1cc(=O)cc[nH]1)c1cccc(Br)c1

$$$$
ZINC001617539722
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 8.37 0.7957 0.0 0
M  V30 2 C 6.9028 0.4838 0.0 0
M  V30 3 C 6.4393 -0.9427 0.0 0
M  V30 4 C 5.8991 1.5985 0.0 0
M  V30 5 C 4.972 -1.2546 0.0 0
M  V30 6 C 4.4319 1.2866 0.0 0
M  V30 7 C 3.9683 -0.1398 0.0 0
M  V30 8 C 4.222 -2.5536 0.0 0
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 2.7548 -2.2417 0.0 0
M  V30 11 C 1.299 0.0 0.0 0
M  V30 12 C 0.0 -0.75 0.0 0
M  V30 13 N -1.299 0.0 0.0 0
M  V30 14 C 0.0 -2.2499 0.0 0
M  V30 15 C -2.598 -0.7499 0.0 0
M  V30 16 C -1.299 -2.9999 0.0 0
M  V30 17 N -4.0246 -0.2864 0.0 0
M  V30 18 N -2.598 -2.2499 0.0 0
M  V30 19 O -1.299 -4.4999 0.0 0
M  V30 20 C -4.9063 -1.4999 0.0 0
M  V30 21 N -4.0246 -2.7135 0.0 0
M  V30 22 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 2 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 2 20 22
M  V30 22 1 6 7
M  V30 23 1 9 10
M  V30 24 1 16 18
M  V30 25 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001617539722

>  <name>
NA

>  <smiles>
Fc1ccc2N(Cc3cc(=O)n4[nH]c(=N)nc4[nH]3)CCc2c1

$$$$
ZINC000636724823
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 1.9884 4.0506 0.0 0
M  V30 2 C 0.7984 3.1374 0.0 0
M  V30 3 C 0.9942 1.6503 0.0 0
M  V30 4 C -0.5873 3.7115 0.0 0
M  V30 5 C -0.1957 0.7371 0.0 0
M  V30 6 C -1.7773 2.7983 0.0 0
M  V30 7 C -1.5816 1.3111 0.0 0
M  V30 8 C 0.0 -0.75 0.0 0
M  V30 9 N 1.299 0.0 0.0 0
M  V30 10 C -0.3882 -2.1988 0.0 0
M  V30 11 C -1.4488 -0.3617 0.0 0
M  V30 12 C 2.598 -0.75 0.0 0
M  V30 13 C -1.8371 -1.8106 0.0 0
M  V30 14 O 2.598 -2.25 0.0 0
M  V30 15 N 3.8971 0.0 0.0 0
M  V30 16 C 5.1961 -0.75 0.0 0
M  V30 17 C 6.4951 0.0 0.0 0
M  V30 18 C 7.7942 -0.7499 0.0 0
M  V30 19 C 6.4951 1.4999 0.0 0
M  V30 20 O 7.7942 -2.2499 0.0 0
M  V30 21 N 9.0932 0.0 0.0 0
M  V30 22 C 7.7942 2.2499 0.0 0
M  V30 23 C 9.0932 1.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 21 23
M  V30 23 1 6 7
M  V30 24 1 11 13
M  V30 25 2 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000636724823

>  <name>
NA

>  <smiles>
Brc1cccc(c1)C1(CCC1)NC(=O)NCc1ccc[nH]c1=O

$$$$
ZINC001214413210
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 4.3301 -1.9999 0.0 0
M  V30 2 C 3.4641 -1.4999 0.0 0
M  V30 3 C 3.4641 -0.5 0.0 0
M  V30 4 C 2.598 -1.9999 0.0 0
M  V30 5 C 2.598 0.0 0.0 0
M  V30 6 C 1.732 -1.5 0.0 0
M  V30 7 O 2.598 1.0 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C 0.0 -0.5 0.0 0
M  V30 11 C -0.866 0.0 0.0 0
M  V30 12 C 0.0 -1.4999 0.0 0
M  V30 13 N -0.866 1.0 0.0 0
M  V30 14 C -1.732 -0.4999 0.0 0
M  V30 15 C -0.866 -1.9999 0.0 0
M  V30 16 C -1.732 1.5 0.0 0
M  V30 17 C 0.0 1.5 0.0 0
M  V30 18 C -1.732 -1.4999 0.0 0
M  V30 19 C -2.598 0.0 0.0 0
M  V30 20 O -1.732 2.5 0.0 0
M  V30 21 N -2.598 1.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 13 16
M  V30 16 1 13 17
M  V30 17 2 14 18
M  V30 18 1 14 19
M  V30 19 2 16 20
M  V30 20 1 16 21
M  V30 21 1 6 8
M  V30 22 1 15 18
M  V30 23 1 19 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001214413210

>  <name>
NA

>  <smiles>
CN1C(=O)NCc2cccc(Nc3ccc(Cl)cc3O)c12

$$$$
ZINC001299918991
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.9282 1.4999 0.0 0
M  V30 2 C 6.0621 0.9999 0.0 0
M  V30 3 C 5.1961 1.4999 0.0 0
M  V30 4 C 6.0621 0.0 0.0 0
M  V30 5 F 5.1961 2.4999 0.0 0
M  V30 6 C 4.3301 0.9999 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 F 5.1961 -1.5 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 O 2.598 1.0 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 N -0.866 0.0 0.0 0
M  V30 17 C 0.0 -1.4999 0.0 0
M  V30 18 C -1.732 -0.4999 0.0 0
M  V30 19 C -0.866 -1.9999 0.0 0
M  V30 20 O -2.598 0.0 0.0 0
M  V30 21 N -1.732 -1.4999 0.0 0
M  V30 22 O -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 6 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 2 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 1 7 8
M  V30 23 1 19 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001299918991

>  <name>
NA

>  <smiles>
Fc1cc(F)c(CC(=O)NCc2cc(=O)[nH]c(=O)[nH]2)cc1F

$$$$
ZINC001700839567
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 5.1961 -0.5 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 F 4.3301 1.0 0.0 0
M  V30 4 C 3.4641 -0.5 0.0 0
M  V30 5 N 2.598 0.0 0.0 0
M  V30 6 C 1.732 -0.5 0.0 0
M  V30 7 O 1.732 -1.5 0.0 0
M  V30 8 C 0.866 0.0 0.0 0
M  V30 9 O 0.866 1.0 0.0 0
M  V30 10 N 0.0 -0.5 0.0 0
M  V30 11 C -0.9135 -0.0932 0.0 0
M  V30 12 C -0.1045 -1.4945 0.0 0
M  V30 13 C -1.5826 -0.8364 0.0 0
M  V30 14 C -1.1214 0.8848 0.0 0
M  V30 15 C -1.0826 -1.7024 0.0 0
M  V30 16 N -1.4894 -2.6159 0.0 0
M  V30 17 C -0.9016 -3.4249 0.0 0
M  V30 18 C -1.3083 -4.3385 0.0 0
M  V30 19 N -0.7205 -5.1475 0.0 0
M  V30 20 C -1.0295 -6.0986 0.0 0
M  V30 21 C 0.2794 -5.1475 0.0 0
M  V30 22 O -1.9806 -6.4076 0.0 0
M  V30 23 N -0.2205 -6.6864 0.0 0
M  V30 24 C 0.5884 -6.0986 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 4 5
M  V30 5 1 5 6
M  V30 6 2 6 7
M  V30 7 1 6 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 21 24
M  V30 24 1 13 15
M  V30 25 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001700839567

>  <name>
NA

>  <smiles>
CC1CC(CN1C(=O)C(=O)NCC(F)F)NCCN1CCNC1=O

$$$$
ZINC000916203276
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 0.6442 4.8478 0.0 0
M  V30 2 C 1.232 4.0388 0.0 0
M  V30 3 O 2.232 4.0388 0.0 0
M  V30 4 C 0.923 3.0877 0.0 0
M  V30 5 C 2.541 3.0877 0.0 0
M  V30 6 C 1.732 2.4999 0.0 0 CFG=1
M  V30 7 N 1.732 1.4999 0.0 0
M  V30 8 C 0.866 0.9999 0.0 0
M  V30 9 O 0.0 1.5 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C 0.7933 -1.1087 0.0 0
M  V30 13 C -0.9659 -0.2411 0.0 0
M  V30 14 C -0.2588 -1.4659 0.0 0
M  V30 15 C 0.6628 -2.1002 0.0 0
M  V30 16 C 1.7172 -0.726 0.0 0
M  V30 17 C -1.2247 -1.2071 0.0 0
M  V30 18 C 1.4561 -2.7089 0.0 0
M  V30 19 C 2.5105 -1.3348 0.0 0
M  V30 20 C 2.38 -2.3262 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 1 6 7 CFG=1
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 13 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 2 18 20
M  V30 20 1 5 6
M  V30 21 1 14 17
M  V30 22 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000916203276

>  <name>
NA

>  <smiles>
O=C(NC1COC(=O)C1)NC1(CCC1)c1ccccc1

$$$$
ZINC001362205629
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.4641 2.5 0.0 0
M  V30 2 C 3.4641 2.5 0.0 0
M  V30 3 F 3.4641 3.5 0.0 0
M  V30 4 F 4.4641 2.5 0.0 0
M  V30 5 C 3.4641 1.5 0.0 0
M  V30 6 C 2.598 1.0 0.0 0
M  V30 7 C 4.3301 1.0 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 C 4.3301 0.0 0.0 0
M  V30 10 N 1.732 -0.5 0.0 0
M  V30 11 C 3.4641 -0.4999 0.0 0
M  V30 12 C 0.866 0.0 0.0 0
M  V30 13 C 3.4641 -1.5 0.0 0
M  V30 14 O 0.866 1.0 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 C -0.866 0.0 0.0 0
M  V30 17 C 0.0 -1.4999 0.0 0
M  V30 18 O -0.866 1.0 0.0 0
M  V30 19 C -1.732 -0.4999 0.0 0
M  V30 20 N -0.866 -1.9999 0.0 0
M  V30 21 C -1.732 1.5 0.0 0
M  V30 22 C -1.732 -1.4999 0.0 0
M  V30 23 O -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 1 8 10
M  V30 10 2 8 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 15 16
M  V30 16 2 15 17
M  V30 17 1 16 18
M  V30 18 2 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 22 23
M  V30 23 1 9 11
M  V30 24 1 20 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001362205629

>  <name>
NA

>  <smiles>
COc1cc(=O)[nH]cc1C(=O)Nc1cc(ccc1C)C(F)(F)F

$$$$
ZINC000828449912
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 0.866 -4.9999 0.0 0
M  V30 2 C 1.732 -4.4999 0.0 0
M  V30 3 C 2.598 -4.9999 0.0 0
M  V30 4 C 1.732 -3.4999 0.0 0
M  V30 5 F 2.598 -5.9999 0.0 0
M  V30 6 C 3.4641 -4.4999 0.0 0
M  V30 7 C 2.598 -2.9999 0.0 0
M  V30 8 C 3.4641 -3.4999 0.0 0
M  V30 9 C 2.598 -1.9999 0.0 0 CFG=1
M  V30 10 O 3.4641 -1.5 0.0 0
M  V30 11 C 1.732 -1.5 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 C -1.732 -1.4999 0.0 0
M  V30 23 C -2.598 0.0 0.0 0
M  V30 24 N -3.4641 -0.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 6 8
M  V30 8 1 9 7 CFG=3
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 7 8
M  V30 25 1 13 14
M  V30 26 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000828449912

>  <name>
NA

>  <smiles>
NCc1cccc(c1)C(=O)N1CCOC(C1)c1ccc(F)c(F)c1

$$$$
ZINC001197135527
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.8971 6.0 0.0 0
M  V30 2 C 3.8971 4.5 0.0 0
M  V30 3 C 2.598 3.75 0.0 0
M  V30 4 C 5.1961 3.75 0.0 0
M  V30 5 C 2.598 2.25 0.0 0
M  V30 6 C 5.1961 2.25 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 3.8971 0.0 0.0 0 CFG=1
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 5.1961 -0.75 0.0 0
M  V30 11 C 1.299 0.0 0.0 0
M  V30 12 F 6.4951 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 N -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.2499 0.0 0
M  V30 16 C -2.598 -0.7499 0.0 0
M  V30 17 C -1.299 -2.9999 0.0 0
M  V30 18 N -4.0246 -0.2864 0.0 0
M  V30 19 N -2.598 -2.2499 0.0 0
M  V30 20 O -1.299 -4.4999 0.0 0
M  V30 21 C -4.9063 -1.4999 0.0 0
M  V30 22 N -4.0246 -2.7135 0.0 0
M  V30 23 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 7
M  V30 8 1 8 9 CFG=3
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 21 23
M  V30 23 1 6 7
M  V30 24 1 17 19
M  V30 25 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001197135527

>  <name>
NA

>  <smiles>
FCC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccc(F)cc1

$$$$
ZINC001567997089
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.5385 -7.6947 0.0 0
M  V30 2 C 3.617 -6.1967 0.0 0
M  V30 3 N 4.9535 -5.5157 0.0 0
M  V30 4 C 2.359 -5.3798 0.0 0
M  V30 5 C 5.032 -4.0178 0.0 0
M  V30 6 C 2.4375 -3.8818 0.0 0
M  V30 7 C 3.774 -3.2008 0.0 0
M  V30 8 C 1.1795 -3.0649 0.0 0
M  V30 9 O -0.157 -3.7458 0.0 0
M  V30 10 N 1.258 -1.5669 0.0 0
M  V30 11 C 0.0 -0.75 0.0 0
M  V30 12 C -1.3703 -0.1398 0.0 0
M  V30 13 C -0.1567 -2.2417 0.0 0
M  V30 14 C 1.299 0.0 0.0 0
M  V30 15 C -2.374 -1.2546 0.0 0
M  V30 16 C -1.624 -2.5536 0.0 0
M  V30 17 N 2.598 -0.75 0.0 0
M  V30 18 C 3.8971 0.0 0.0 0
M  V30 19 C 5.1961 -0.75 0.0 0
M  V30 20 C 6.4951 0.0 0.0 0
M  V30 21 O 7.8655 -0.6101 0.0 0
M  V30 22 C 6.6519 1.4917 0.0 0
M  V30 23 C 8.8692 0.5046 0.0 0
M  V30 24 C 8.1192 1.8036 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 6 7
M  V30 25 1 15 16
M  V30 26 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001567997089

>  <name>
NA

>  <smiles>
O=C(NC1(CNCCC2CCCO2)CCCC1)C1CCNC(=O)C1

$$$$
ZINC000527785292
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 1.732 1.4999 0.0 0
M  V30 2 C 2.598 1.0 0.0 0
M  V30 3 C 2.598 0.0 0.0 0
M  V30 4 C 3.4641 1.4999 0.0 0
M  V30 5 C 1.732 -0.5 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0
M  V30 7 C 4.3301 1.0 0.0 0
M  V30 8 C 3.4641 2.5 0.0 0
M  V30 9 O 1.732 -1.5 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 4.3301 0.0 0.0 0
M  V30 12 F 4.3301 3.0 0.0 0
M  V30 13 F 2.598 3.0 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0 CFG=2
M  V30 15 C -0.866 0.0 0.0 0
M  V30 16 C 0.0 -1.4999 0.0 0
M  V30 17 C -1.732 -0.4999 0.0 0
M  V30 18 C -0.866 1.0 0.0 0
M  V30 19 C -0.866 -1.9999 0.0 0
M  V30 20 N -2.598 0.0 0.0 0
M  V30 21 C -1.732 -1.4999 0.0 0
M  V30 22 C -1.732 1.5 0.0 0
M  V30 23 C -2.598 1.0 0.0 0
M  V30 24 O -3.4641 1.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 4 8
M  V30 8 2 5 9
M  V30 9 1 5 10
M  V30 10 2 6 11
M  V30 11 1 8 12
M  V30 12 1 8 13
M  V30 13 1 14 10 CFG=1
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 17 21
M  V30 21 2 18 22
M  V30 22 1 20 23
M  V30 23 2 23 24
M  V30 24 1 7 11
M  V30 25 1 19 21
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000527785292

>  <name>
NA

>  <smiles>
FC(F)c1cccc(C(=O)NC2CCCc3[nH]c(=O)ccc23)c1F

$$$$
ZINC000621273280
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 9.0932 -4.5 0.0 0
M  V30 2 C 9.0932 -3.0 0.0 0
M  V30 3 N 10.3923 -2.25 0.0 0
M  V30 4 C 7.7942 -2.2499 0.0 0
M  V30 5 N 11.8188 -2.7135 0.0 0
M  V30 6 C 10.3923 -0.75 0.0 0
M  V30 7 C 7.7942 -0.75 0.0 0
M  V30 8 C 12.7005 -1.5 0.0 0
M  V30 9 N 11.8188 -0.2864 0.0 0
M  V30 10 N 9.0932 0.0 0.0 0
M  V30 11 C 6.4951 0.0 0.0 0
M  V30 12 N 14.2005 -1.5 0.0 0
M  V30 13 N 5.1961 -0.75 0.0 0
M  V30 14 C 3.8971 0.0 0.0 0 CFG=2
M  V30 15 C 3.8971 1.5 0.0 0
M  V30 16 C 2.598 -0.75 0.0 0
M  V30 17 C 5.1961 2.25 0.0 0
M  V30 18 C 2.598 2.2499 0.0 0
M  V30 19 C 1.299 0.0 0.0 0
M  V30 20 C 5.1961 3.75 0.0 0
M  V30 21 C 2.598 3.75 0.0 0
M  V30 22 C 1.299 1.5 0.0 0
M  V30 23 C 0.0 -0.75 0.0 0
M  V30 24 C 3.8971 4.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13 CFG=1
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 19 23
M  V30 23 2 20 24
M  V30 24 1 7 10
M  V30 25 1 8 9
M  V30 26 1 21 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000621273280

>  <name>
NA

>  <smiles>
CC(C)CC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccccc1

$$$$
ZINC000469607925
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 0.866 2.9999 0.0 0
M  V30 2 C 1.732 2.4999 0.0 0
M  V30 3 C 2.598 2.9999 0.0 0
M  V30 4 C 1.732 1.4999 0.0 0
M  V30 5 O 2.598 3.9999 0.0 0
M  V30 6 N 3.4641 2.4999 0.0 0
M  V30 7 C 0.866 0.9999 0.0 0
M  V30 8 C 2.598 0.9999 0.0 0
M  V30 9 C 3.4641 1.4999 0.0 0
M  V30 10 O 0.0 1.5 0.0 0
M  V30 11 N 0.866 0.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C 0.8386 -1.0446 0.0 0
M  V30 14 C -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 C 0.7863 -2.0432 0.0 0
M  V30 17 C 1.7296 -0.5906 0.0 0
M  V30 18 C -1.5826 -0.8364 0.0 0
M  V30 19 C -1.0826 -1.7024 0.0 0
M  V30 20 C 1.625 -2.5879 0.0 0
M  V30 21 C 2.5683 -1.1352 0.0 0
M  V30 22 Cl 1.5726 -3.5865 0.0 0
M  V30 23 C 2.516 -2.1339 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 2 4
M  V30 4 2 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 6 9
M  V30 9 2 7 10
M  V30 10 1 7 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 2 17 21
M  V30 21 1 20 22
M  V30 22 2 20 23
M  V30 23 2 8 9
M  V30 24 1 18 19
M  V30 25 1 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000469607925

>  <name>
NA

>  <smiles>
Clc1cccc(c1)C1(CCCC1)NC(=O)c1cc[nH]c(=O)c1Br

$$$$
ZINC000828443779
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 0.866 -4.9999 0.0 0
M  V30 2 C 1.732 -4.4999 0.0 0
M  V30 3 C 2.598 -4.9999 0.0 0
M  V30 4 C 1.732 -3.4999 0.0 0
M  V30 5 F 2.598 -5.9999 0.0 0
M  V30 6 C 3.4641 -4.4999 0.0 0
M  V30 7 C 2.598 -2.9999 0.0 0
M  V30 8 C 3.4641 -3.4999 0.0 0
M  V30 9 C 2.598 -1.9999 0.0 0 CFG=1
M  V30 10 O 3.4641 -1.5 0.0 0
M  V30 11 C 1.732 -1.5 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 C -1.732 -1.4999 0.0 0
M  V30 23 C -2.598 0.0 0.0 0
M  V30 24 N -3.4641 -0.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 6 8
M  V30 8 1 9 7 CFG=3
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 7 8
M  V30 25 1 13 14
M  V30 26 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000828443779

>  <name>
NA

>  <smiles>
NCc1cccc(c1)C(=O)N1CCOC(C1)c1ccc(F)c(Cl)c1

$$$$
ZINC000335554842
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.0621 -2.0 0.0 0
M  V30 2 C 5.1961 -1.5 0.0 0
M  V30 3 C 5.1961 -0.5 0.0 0
M  V30 4 C 4.3301 -1.9999 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0
M  V30 6 C 3.4641 -1.4999 0.0 0
M  V30 7 N 4.3301 0.9999 0.0 0
M  V30 8 C 3.4641 -0.4999 0.0 0
M  V30 9 C 3.4641 1.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 O 3.4641 2.5 0.0 0
M  V30 12 C 2.598 0.9999 0.0 0
M  V30 13 C 1.732 -0.5 0.0 0 CFG=2
M  V30 14 O 1.732 -1.5 0.0 0
M  V30 15 N 0.866 0.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 C -0.2588 -1.4659 0.0 0
M  V30 18 C -0.9659 -0.2411 0.0 0
M  V30 19 C -0.1305 0.4914 0.0 0
M  V30 20 C -1.2247 -1.2071 0.0 0
M  V30 21 F 0.6628 1.1002 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 13 10
M  V30 13 1 13 14 CFG=3
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 19 21
M  V30 21 1 6 8
M  V30 22 2 10 12
M  V30 23 1 18 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000335554842

>  <name>
NA

>  <smiles>
OC(NC1(CF)CCC1)c1cc(=O)[nH]c2cc(F)ccc12

$$$$
ZINC000120782465
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 19 20 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 3.5686 -1.4945 0.0 0
M  V30 2 C 4.5467 -1.7024 0.0 0
M  V30 3 C 3.4641 -0.5 0.0 0
M  V30 4 N 4.9535 -2.6159 0.0 0
M  V30 5 N 5.0467 -0.8364 0.0 0
M  V30 6 C 4.3776 -0.0932 0.0 0
M  V30 7 C 2.598 0.0 0.0 0
M  V30 8 O 4.5855 0.8848 0.0 0
M  V30 9 C 1.732 -0.5 0.0 0
M  V30 10 O 1.732 -1.5 0.0 0
M  V30 11 N 0.866 0.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C -0.866 0.0 0.0 0
M  V30 14 C 0.0 -1.4999 0.0 0
M  V30 15 F -0.866 1.0 0.0 0
M  V30 16 C -1.732 -0.4999 0.0 0
M  V30 17 C -0.866 -1.9999 0.0 0
M  V30 18 C -1.732 -1.4999 0.0 0
M  V30 19 F -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 3 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 2 16 18
M  V30 18 1 18 19
M  V30 19 1 5 6
M  V30 20 1 17 18
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000120782465

>  <name>
NA

>  <smiles>
Oc1[nH]c(=N)sc1CC(=O)Nc1ccc(F)cc1F

$$$$
ZINC001198818678
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -3.0 0.0 0
M  V30 2 C 2.598 -1.9999 0.0 0
M  V30 3 N 3.4641 -1.4999 0.0 0
M  V30 4 C 1.732 -1.4999 0.0 0
M  V30 5 N 4.4151 -1.809 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 C 5.0029 -0.9999 0.0 0
M  V30 9 N 4.4151 -0.1909 0.0 0
M  V30 10 N 2.598 0.0 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 N 6.0029 -0.9999 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C -0.866 0.0 0.0 0
M  V30 15 C 0.0 -1.4999 0.0 0
M  V30 16 C -1.732 -0.4999 0.0 0
M  V30 17 C -0.866 -1.9999 0.0 0
M  V30 18 C -1.732 -1.4999 0.0 0
M  V30 19 C -2.598 0.0 0.0 0
M  V30 20 C -2.598 -1.9999 0.0 0
M  V30 21 C -3.4641 -0.4999 0.0 0
M  V30 22 C -3.4641 -1.4999 0.0 0
M  V30 23 C -4.3301 -1.9999 0.0 0
M  V30 24 C -4.3301 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 22 23
M  V30 23 1 23 24
M  V30 24 1 7 10
M  V30 25 1 8 9
M  V30 26 1 17 18
M  V30 27 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001198818678

>  <name>
NA

>  <smiles>
CCc1ccc2CN(Cc3cc(=O)n4[nH]c(=N)nc4[nH]3)CCc2c1

$$$$
ZINC000922591039
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 3.5116 -0.4067 0.0 0
M  V30 2 C 4.1807 0.3364 0.0 0
M  V30 3 C 2.598 0.0 0.0 0
M  V30 4 N 5.1752 0.2318 0.0 0
M  V30 5 N 3.6807 1.2024 0.0 0
M  V30 6 C 2.7026 0.9945 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 O 1.9594 1.6636 0.0 0
M  V30 9 C 0.866 0.0 0.0 0
M  V30 10 O 0.866 1.0 0.0 0
M  V30 11 N 0.0 -0.5 0.0 0
M  V30 12 C -0.8262 0.0633 0.0 0
M  V30 13 C 0.0747 -1.4972 0.0 0
M  V30 14 C -1.7818 -0.2314 0.0 0
M  V30 15 C -0.6583 -2.1773 0.0 0 CFG=1
M  V30 16 C -2.1471 -1.1623 0.0 0
M  V30 17 C -2.4053 0.5503 0.0 0
M  V30 18 N -1.6471 -2.0283 0.0 0
M  V30 19 C -0.4945 -3.1638 0.0 0
M  V30 20 C -3.1359 -1.3113 0.0 0
M  V30 21 C -3.3941 0.4013 0.0 0
M  V30 22 C -2.0944 -2.9227 0.0 0
M  V30 23 C -1.382 -3.6245 0.0 0
M  V30 24 C -3.7594 -0.5295 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 3 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 15 13
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18 CFG=3
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 2 17 21
M  V30 21 1 18 22
M  V30 22 1 19 23
M  V30 23 2 20 24
M  V30 24 1 5 6
M  V30 25 1 16 18
M  V30 26 1 21 24
M  V30 27 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 15)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000922591039

>  <name>
NA

>  <smiles>
Oc1[nH]c(=N)sc1CC(=O)N1CC2CCCN2c2ccccc2C1

$$$$
ZINC000077634565
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 7.7942 1.0 0.0 0
M  V30 2 C 7.7942 0.0 0.0 0
M  V30 3 C 6.9282 -0.5 0.0 0
M  V30 4 C 8.6602 -0.4999 0.0 0
M  V30 5 C 6.9282 -1.4999 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 8.6602 -1.4999 0.0 0
M  V30 8 F 6.0621 -1.9999 0.0 0
M  V30 9 C 7.7942 -2.0 0.0 0
M  V30 10 O 6.0621 0.9999 0.0 0
M  V30 11 C 5.1961 -0.5 0.0 0
M  V30 12 N 4.3301 0.0 0.0 0
M  V30 13 C 3.4641 -0.5 0.0 0
M  V30 14 O 3.4641 -1.5 0.0 0
M  V30 15 C 2.598 0.0 0.0 0
M  V30 16 N 1.732 -0.5 0.0 0
M  V30 17 C 2.598 1.0 0.0 0
M  V30 18 C 0.866 0.0 0.0 0
M  V30 19 O 0.866 1.0 0.0 0
M  V30 20 C 0.0 -0.5 0.0 0
M  V30 21 C -0.9135 -0.0932 0.0 0
M  V30 22 C -0.1045 -1.4945 0.0 0
M  V30 23 O -1.5826 -0.8364 0.0 0
M  V30 24 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 5 9
M  V30 9 1 6 10
M  V30 10 1 6 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 2 20 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 1 7 9
M  V30 25 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000077634565

>  <name>
NA

>  <smiles>
CC(NC(=O)c1ccoc1)C(=O)NCC(O)c1c(F)cccc1F

$$$$
ZINC001329491397
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 1.299 4.5 0.0 0
M  V30 2 C 2.598 3.75 0.0 0
M  V30 3 C 2.598 2.25 0.0 0
M  V30 4 C 3.8971 4.5 0.0 0
M  V30 5 C 3.8971 1.5 0.0 0
M  V30 6 C 5.1961 3.75 0.0 0
M  V30 7 C 5.1961 2.25 0.0 0
M  V30 8 C 3.8971 0.0 0.0 0 CFG=1
M  V30 9 N 5.1961 -0.75 0.0 0
M  V30 10 C 2.598 -0.75 0.0 0
M  V30 11 C 6.4951 0.0 0.0 0
M  V30 12 O 1.299 0.0 0.0 0
M  V30 13 C 7.7942 -0.75 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 N 7.7942 -2.25 0.0 0
M  V30 16 C 9.0932 0.0 0.0 0
M  V30 17 C 9.0932 -3.0 0.0 0
M  V30 18 C 10.3923 -0.75 0.0 0
M  V30 19 N 9.4051 -4.4672 0.0 0
M  V30 20 N 10.3923 -2.25 0.0 0
M  V30 21 O 11.6913 0.0 0.0 0
M  V30 22 C 10.8969 -4.624 0.0 0
M  V30 23 N 11.507 -3.2536 0.0 0
M  V30 24 N 11.6469 -5.923 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 5
M  V30 8 1 8 9 CFG=1
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 13 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 22 24
M  V30 24 1 6 7
M  V30 25 1 18 20
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001329491397

>  <name>
NA

>  <smiles>
COCC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1cccc(Cl)c1

$$$$
ZINC000965749494
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 11.4684 -5.8713 0.0 0
M  V30 2 C 10.1694 -5.1213 0.0 0
M  V30 3 N 10.1694 -3.6213 0.0 0
M  V30 4 C 8.8703 -5.8713 0.0 0
M  V30 5 C 8.8703 -2.8713 0.0 0
M  V30 6 N 7.5 -5.2612 0.0 0
M  V30 7 C 8.7135 -7.3631 0.0 0
M  V30 8 C 8.4821 -1.4224 0.0 0
M  V30 9 C 7.4214 -3.2595 0.0 0
M  V30 10 C 6.4963 -6.3759 0.0 0
M  V30 11 C 7.2463 -7.6749 0.0 0
M  V30 12 C 7.0332 -1.8106 0.0 0
M  V30 13 C 4.9963 -6.3759 0.0 0
M  V30 14 C 6.4963 -8.974 0.0 0
M  V30 15 C 6.645 -0.3617 0.0 0
M  V30 16 C 5.5843 -2.1988 0.0 0
M  V30 17 C 4.2463 -7.6749 0.0 0
M  V30 18 C 4.9963 -8.974 0.0 0
M  V30 19 C 5.1961 -0.75 0.0 0
M  V30 20 N 3.8971 0.0 0.0 0
M  V30 21 C 2.598 -0.75 0.0 0
M  V30 22 C 1.299 0.0 0.0 0
M  V30 23 O 1.299 1.5 0.0 0
M  V30 24 N 0.0 -0.75 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 8 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 12 16
M  V30 16 1 13 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 1 21 22
M  V30 22 2 22 23
M  V30 23 1 22 24
M  V30 24 1 9 12
M  V30 25 2 10 11
M  V30 26 1 16 19
M  V30 27 1 17 18
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000965749494

>  <name>
NA

>  <smiles>
NC(=O)CNC1CC2(C1)CC(C2)NC(=O)c1cc2CCCCc2[nH]1

$$$$
ZINC001389155265
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 10.7173 1.8036 0.0 0
M  V30 2 O 11.9308 2.6852 0.0 0
M  V30 3 O 10.5604 3.2954 0.0 0
M  V30 4 N 9.25 1.4917 0.0 0
M  V30 5 C 11.4673 0.5046 0.0 0
M  V30 6 C 9.0932 0.0 0.0 0
M  V30 7 C 10.4636 -0.6101 0.0 0
M  V30 8 C 7.7942 -0.75 0.0 0
M  V30 9 O 7.7942 -2.25 0.0 0
M  V30 10 N 6.4952 0.0 0.0 0
M  V30 11 C 5.1961 -0.75 0.0 0
M  V30 12 C 3.8971 0.0 0.0 0
M  V30 13 N 2.598 -0.75 0.0 0
M  V30 14 C 3.8971 1.5 0.0 0
M  V30 15 C 1.299 0.0 0.0 0
M  V30 16 O 1.299 1.5 0.0 0
M  V30 17 C 0.0 -0.75 0.0 0
M  V30 18 N -1.299 0.0 0.0 0
M  V30 19 C 0.0 -2.25 0.0 0
M  V30 20 C -2.598 -0.75 0.0 0
M  V30 21 C -1.299 -3.0 0.0 0
M  V30 22 O -3.8971 0.0 0.0 0
M  V30 23 C -2.598 -2.25 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 2 1 3
M  V30 3 1 1 4
M  V30 4 1 1 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 6 7
M  V30 24 2 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001389155265

>  <name>
NA

>  <smiles>
CC(CNC(=O)C1CCS(=O)(=O)N1)NC(=O)c1cccc(=O)[nH]1

$$$$
ZINC000559531254
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.0621 -4.9999 0.0 0
M  V30 2 C 5.1961 -4.5 0.0 0
M  V30 3 C 5.1961 -3.4999 0.0 0
M  V30 4 C 4.3301 -5.0 0.0 0
M  V30 5 C 4.3301 -2.9999 0.0 0
M  V30 6 C 3.4641 -4.5 0.0 0
M  V30 7 N 4.3301 -2.0 0.0 0
M  V30 8 C 3.4641 -3.5 0.0 0
M  V30 9 C 5.1961 -1.5 0.0 0
M  V30 10 C 3.4641 -1.5 0.0 0
M  V30 11 O 6.0621 -2.0 0.0 0
M  V30 12 C 5.1961 -0.5 0.0 0
M  V30 13 C 3.4641 -0.5 0.0 0
M  V30 14 C 4.3301 0.0 0.0 0
M  V30 15 C 2.598 0.0 0.0 0
M  V30 16 O 2.598 1.0 0.0 0
M  V30 17 N 1.732 -0.5 0.0 0
M  V30 18 C 0.866 0.0 0.0 0
M  V30 19 C 1.732 -1.5 0.0 0
M  V30 20 C 0.0 -0.5 0.0 0
M  V30 21 N -0.9135 -0.0932 0.0 0
M  V30 22 N -0.1045 -1.4945 0.0 0
M  V30 23 N -1.5826 -0.8364 0.0 0
M  V30 24 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 2 10 13
M  V30 13 2 12 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 20 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 1 6 8
M  V30 25 1 13 14
M  V30 26 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000559531254

>  <name>
NA

>  <smiles>
CN(Cc1nc[nH]n1)C(=O)c1ccc(=O)n(c1)-c1cccc(F)c1

$$$$
ZINC001351139325
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 -0.5 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 N 6.0621 0.9999 0.0 0
M  V30 4 C 5.1961 -0.4999 0.0 0
M  V30 5 N 6.8053 1.6691 0.0 0
M  V30 6 C 5.1961 1.4999 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 6.3985 2.5826 0.0 0
M  V30 9 N 5.404 2.4781 0.0 0
M  V30 10 N 4.3301 1.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 6.8985 3.4487 0.0 0
M  V30 13 N 2.598 0.0 0.0 0
M  V30 14 C 1.732 -0.5 0.0 0 CFG=2
M  V30 15 C 2.598 1.0 0.0 0
M  V30 16 C 1.732 -1.5 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 C 0.866 -1.9999 0.0 0
M  V30 19 C 2.598 -2.0 0.0 0
M  V30 20 O 0.0 -0.5 0.0 0
M  V30 21 C 0.866 -2.9999 0.0 0
M  V30 22 C 2.598 -3.0 0.0 0
M  V30 23 C 1.732 -3.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13 CFG=3
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 2 21 23
M  V30 23 1 7 10
M  V30 24 1 8 9
M  V30 25 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001351139325

>  <name>
NA

>  <smiles>
CN(Cc1cc(=O)n2[nH]c(=N)nc2[nH]1)C(CO)c1ccccc1

$$$$
ZINC001273432933
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1371 2.7156 0.0 0
M  V30 2 C 5.6371 1.8495 0.0 0
M  V30 3 N 5.1371 0.9835 0.0 0
M  V30 4 C 6.6371 1.8495 0.0 0
M  V30 5 C 4.1712 0.7247 0.0 0
M  V30 6 C 5.3959 0.0176 0.0 0
M  V30 7 C 7.2249 1.0405 0.0 0
M  V30 8 C 7.2249 2.6586 0.0 0
M  V30 9 C 4.43 -0.2411 0.0 0
M  V30 10 C 8.1759 1.3495 0.0 0
M  V30 11 C 8.1759 2.3495 0.0 0
M  V30 12 N 3.4641 -0.5 0.0 0
M  V30 13 C 4.6888 -1.2071 0.0 0
M  V30 14 O 8.9849 0.7618 0.0 0
M  V30 15 C 2.598 0.0 0.0 0
M  V30 16 C 3.7229 -1.4659 0.0 0
M  V30 17 O 2.598 1.0 0.0 0
M  V30 18 C 1.732 -0.5 0.0 0
M  V30 19 C 0.866 0.0 0.0 0
M  V30 20 C 0.0 -0.5 0.0 0
M  V30 21 N -0.9135 -0.0932 0.0 0
M  V30 22 C -0.1045 -1.4945 0.0 0
M  V30 23 C -1.5826 -0.8364 0.0 0
M  V30 24 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 9 13
M  V30 13 1 10 14
M  V30 14 1 12 15
M  V30 15 1 12 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 2 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 6 9
M  V30 25 1 10 11
M  V30 26 1 13 16
M  V30 27 2 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001273432933

>  <name>
NA

>  <smiles>
OC1CCC(C1)C(=O)N1CC2(CCN2C(=O)CCc2ccc[nH]2)C1

$$$$
ZINC000870489541
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 1.732 1.4999 0.0 0
M  V30 2 C 2.598 1.0 0.0 0
M  V30 3 C 2.598 0.0 0.0 0
M  V30 4 C 3.4641 1.4999 0.0 0
M  V30 5 N 1.732 -0.5 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0
M  V30 7 C 4.3301 1.0 0.0 0
M  V30 8 C 0.866 0.0 0.0 0
M  V30 9 C 4.3301 0.0 0.0 0
M  V30 10 O 0.866 1.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C -0.866 0.0 0.0 0
M  V30 13 C 0.0 -1.4999 0.0 0
M  V30 14 C -1.732 -0.4999 0.0 0
M  V30 15 C -0.866 1.0 0.0 0
M  V30 16 C -0.866 -1.9999 0.0 0
M  V30 17 N -1.732 -1.4999 0.0 0
M  V30 18 C -2.598 0.0 0.0 0
M  V30 19 C -1.732 1.5 0.0 0
M  V30 20 O -0.866 -2.9999 0.0 0
M  V30 21 C -2.598 1.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 2 16 20
M  V30 20 1 18 21
M  V30 21 1 7 9
M  V30 22 1 16 17
M  V30 23 1 19 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000870489541

>  <name>
NA

>  <smiles>
FC1CCCCC1NC(=O)C1CC(=O)NC2CCCCC12

$$$$
ZINC001654296123
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 6.5664 -0.1398 0.0 0
M  V30 2 C 5.1961 -0.75 0.0 0
M  V30 3 C 7.5701 -1.2546 0.0 0
M  V30 4 N 5.3529 -2.2417 0.0 0
M  V30 5 C 3.8971 0.0 0.0 0 CFG=1
M  V30 6 C 6.8201 -2.5536 0.0 0
M  V30 7 N 2.598 -0.75 0.0 0
M  V30 8 C 3.8971 1.5 0.0 0
M  V30 9 C 7.4302 -3.9239 0.0 0
M  V30 10 C 1.299 0.0 0.0 0
M  V30 11 F 8.8005 -3.3138 0.0 0
M  V30 12 F 8.0403 -5.2942 0.0 0
M  V30 13 F 6.0599 -4.534 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 N -1.299 0.0 0.0 0
M  V30 16 C 0.0 -2.2499 0.0 0
M  V30 17 C -2.598 -0.7499 0.0 0
M  V30 18 C -1.299 -2.9999 0.0 0
M  V30 19 N -4.0246 -0.2864 0.0 0
M  V30 20 N -2.598 -2.2499 0.0 0
M  V30 21 O -1.299 -4.4999 0.0 0
M  V30 22 C -4.9063 -1.4999 0.0 0
M  V30 23 N -4.0246 -2.7135 0.0 0
M  V30 24 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 5 2
M  V30 5 2 3 6
M  V30 6 1 5 7 CFG=1
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 1 9 11
M  V30 11 1 9 12
M  V30 12 1 9 13
M  V30 13 1 10 14
M  V30 14 1 14 15
M  V30 15 2 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 22 24
M  V30 24 1 4 6
M  V30 25 1 18 20
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001654296123

>  <name>
NA

>  <smiles>
CC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1nc(cs1)C(F)(F)F

$$$$
ZINC000341424983
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 11.199 -1.0 0.0 0
M  V30 2 C 10.199 -1.0 0.0 0
M  V30 3 N 9.6113 -0.1909 0.0 0
M  V30 4 N 9.6113 -1.809 0.0 0
M  V30 5 C 8.6602 -0.5 0.0 0
M  V30 6 C 9.9203 0.76 0.0 0
M  V30 7 C 8.6602 -1.5 0.0 0
M  V30 8 C 9.9203 -2.76 0.0 0
M  V30 9 C 7.7942 0.0 0.0 0
M  V30 10 C 7.7942 -2.0 0.0 0
M  V30 11 C 6.9282 -0.5 0.0 0
M  V30 12 C 6.9282 -1.4999 0.0 0
M  V30 13 N 6.0621 0.0 0.0 0
M  V30 14 C 5.1961 -0.5 0.0 0
M  V30 15 O 5.1961 -1.4999 0.0 0
M  V30 16 C 4.3301 0.0 0.0 0
M  V30 17 O 4.3301 1.0 0.0 0
M  V30 18 N 3.4641 -0.5 0.0 0
M  V30 19 C 2.598 0.0 0.0 0
M  V30 20 C 1.732 -0.5 0.0 0 CFG=1
M  V30 21 O 1.732 -1.5 0.0 0
M  V30 22 C 0.866 0.0 0.0 0
M  V30 23 C 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 20 19
M  V30 20 1 20 21 CFG=1
M  V30 21 1 20 22
M  V30 22 1 22 23
M  V30 23 2 5 7
M  V30 24 1 11 12
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 20)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000341424983

>  <name>
NA

>  <smiles>
CCC(O)CNC(=O)C(=O)Nc1ccc2n(C)c(=O)n(C)c2c1

$$$$
ZINC000361609347
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 0.866 -4.9999 0.0 0
M  V30 2 C 1.732 -4.4999 0.0 0
M  V30 3 C 2.598 -4.9999 0.0 0
M  V30 4 C 1.732 -3.4999 0.0 0
M  V30 5 F 2.598 -5.9999 0.0 0
M  V30 6 C 3.4641 -4.4999 0.0 0
M  V30 7 C 2.598 -2.9999 0.0 0
M  V30 8 C 3.4641 -3.4999 0.0 0
M  V30 9 C 2.598 -1.9999 0.0 0 CFG=1
M  V30 10 O 3.4641 -1.5 0.0 0
M  V30 11 C 1.732 -1.5 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 N -1.732 -1.4999 0.0 0
M  V30 23 C -2.598 0.0 0.0 0
M  V30 24 N -3.4641 -0.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 6 8
M  V30 8 1 9 7 CFG=3
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 7 8
M  V30 25 1 13 14
M  V30 26 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000361609347

>  <name>
NA

>  <smiles>
NCc1cc(ccn1)C(=O)N1CCOC(C1)c1ccc(F)c(F)c1

$$$$
ZINC001438386994
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.5385 -7.6947 0.0 0
M  V30 2 C 3.617 -6.1967 0.0 0
M  V30 3 N 4.9535 -5.5157 0.0 0
M  V30 4 C 2.359 -5.3798 0.0 0
M  V30 5 C 5.032 -4.0178 0.0 0
M  V30 6 C 2.4375 -3.8818 0.0 0 CFG=2
M  V30 7 C 3.774 -3.2008 0.0 0
M  V30 8 C 1.1795 -3.0649 0.0 0
M  V30 9 O -0.157 -3.7458 0.0 0
M  V30 10 N 1.258 -1.5669 0.0 0
M  V30 11 C 0.0 -0.75 0.0 0
M  V30 12 C -1.3703 -0.1398 0.0 0
M  V30 13 C -0.1567 -2.2417 0.0 0
M  V30 14 C 1.299 0.0 0.0 0
M  V30 15 C -2.374 -1.2546 0.0 0
M  V30 16 C -1.624 -2.5536 0.0 0
M  V30 17 N 2.598 -0.75 0.0 0
M  V30 18 C 3.8971 0.0 0.0 0
M  V30 19 C 5.1961 -0.75 0.0 0
M  V30 20 N 5.3529 -2.2417 0.0 0
M  V30 21 C 6.5664 -0.1398 0.0 0
M  V30 22 O 6.8201 -2.5536 0.0 0
M  V30 23 C 7.5701 -1.2546 0.0 0
M  V30 24 C 6.8783 1.3273 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 1 5 7
M  V30 7 1 6 8 CFG=1
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 21 24
M  V30 24 1 6 7
M  V30 25 1 15 16
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001438386994

>  <name>
NA

>  <smiles>
Cc1conc1CNCC1(CCCC1)NC(=O)C1CCNC(=O)C1

$$$$
ZINC000332759588
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.0621 -2.0 0.0 0
M  V30 2 C 5.1961 -1.5 0.0 0
M  V30 3 C 5.1961 -0.5 0.0 0
M  V30 4 C 4.3301 -1.9999 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0
M  V30 6 C 3.4641 -1.4999 0.0 0
M  V30 7 N 4.3301 0.9999 0.0 0
M  V30 8 C 3.4641 -0.4999 0.0 0
M  V30 9 C 3.4641 1.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 O 3.4641 2.5 0.0 0
M  V30 12 C 2.598 0.9999 0.0 0
M  V30 13 C 1.732 -0.5 0.0 0
M  V30 14 O 1.732 -1.5 0.0 0
M  V30 15 N 0.866 0.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 C -0.9135 -0.0932 0.0 0
M  V30 18 C -0.1045 -1.4945 0.0 0
M  V30 19 O -1.5826 -0.8364 0.0 0
M  V30 20 C -1.1214 0.8848 0.0 0
M  V30 21 C -1.0826 -1.7024 0.0 0
M  V30 22 C -0.8124 1.8359 0.0 0
M  V30 23 C -1.7905 1.628 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 20 22
M  V30 22 1 20 23
M  V30 23 1 6 8
M  V30 24 2 10 12
M  V30 25 1 19 21
M  V30 26 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000332759588

>  <name>
NA

>  <smiles>
OC(NC1CCOC1C1CC1)c1cc(=O)[nH]c2cc(F)ccc12

$$$$
ZINC001210020770
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.4951 -3.0 0.0 0
M  V30 2 C 5.1961 -2.2499 0.0 0
M  V30 3 C 5.1961 -0.75 0.0 0
M  V30 4 C 3.8971 -2.9999 0.0 0
M  V30 5 C 3.8971 0.0 0.0 0
M  V30 6 C 2.598 -2.25 0.0 0
M  V30 7 O 3.8971 1.5 0.0 0
M  V30 8 C 2.598 -0.75 0.0 0
M  V30 9 N 1.299 0.0 0.0 0
M  V30 10 C 0.0 -0.75 0.0 0
M  V30 11 C -1.299 0.0 0.0 0
M  V30 12 C 0.0 -2.2499 0.0 0
M  V30 13 C -2.598 -0.7499 0.0 0
M  V30 14 C -1.299 1.5 0.0 0
M  V30 15 C -1.299 -2.9999 0.0 0
M  V30 16 C -2.598 -2.2499 0.0 0
M  V30 17 C -3.8971 0.0 0.0 0
M  V30 18 C -2.598 2.25 0.0 0
M  V30 19 N -3.8971 1.5 0.0 0
M  V30 20 O -2.598 3.75 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 14 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 6 8
M  V30 21 1 15 16
M  V30 22 1 18 19
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001210020770

>  <name>
NA

>  <smiles>
Oc1cc(F)ccc1Nc1cccc2CNC(=O)Cc12

$$$$
ZINC001633515429
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.4641 -0.5 0.0 0
M  V30 2 C 2.598 0.0 0.0 0
M  V30 3 N 1.732 -0.5 0.0 0
M  V30 4 C 2.598 1.0 0.0 0
M  V30 5 C 0.866 0.0 0.0 0
M  V30 6 C 3.4641 1.5 0.0 0
M  V30 7 C 1.732 1.4999 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 C 3.4641 2.5 0.0 0
M  V30 10 C 4.3301 1.0 0.0 0
M  V30 11 C 1.732 2.5 0.0 0
M  V30 12 N -0.9135 -0.0932 0.0 0
M  V30 13 N -0.1045 -1.4945 0.0 0
M  V30 14 C 4.3301 3.0 0.0 0
M  V30 15 C 2.598 3.0 0.0 0
M  V30 16 C 5.1961 1.4999 0.0 0
M  V30 17 N -1.5826 -0.8364 0.0 0
M  V30 18 C -1.0826 -1.7024 0.0 0
M  V30 19 C 5.1961 2.4999 0.0 0
M  V30 20 C -1.4894 -2.6159 0.0 0
M  V30 21 O 6.0621 2.9999 0.0 0
M  V30 22 O -0.9016 -3.4249 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 2 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 8 13
M  V30 13 2 9 14
M  V30 14 1 9 15
M  V30 15 1 10 16
M  V30 16 1 12 17
M  V30 17 2 13 18
M  V30 18 1 14 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 11 15
M  V30 23 2 16 19
M  V30 24 1 17 18
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001633515429

>  <name>
NA

>  <smiles>
OCc1nc(CNC(=O)c2cccc3cc(O)ccc23)n[nH]1

$$$$
ZINC001383886951
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 9.5262 0.0 0.0 0
M  V30 2 C 8.6602 -0.5 0.0 0
M  V30 3 N 7.7942 0.0 0.0 0
M  V30 4 C 8.6602 -1.5 0.0 0
M  V30 5 C 6.9282 -0.5 0.0 0
M  V30 6 C 7.7942 -2.0 0.0 0
M  V30 7 C 6.0621 0.0 0.0 0
M  V30 8 C 6.9282 -1.5 0.0 0
M  V30 9 O 6.0621 0.9999 0.0 0
M  V30 10 N 5.1961 -0.5 0.0 0
M  V30 11 C 4.3301 0.0 0.0 0 CFG=2
M  V30 12 C 4.3301 1.0 0.0 0
M  V30 13 C 3.4641 -0.5 0.0 0
M  V30 14 O 3.4641 1.5 0.0 0
M  V30 15 N 2.598 0.0 0.0 0
M  V30 16 C 1.732 -0.5 0.0 0
M  V30 17 O 1.732 -1.5 0.0 0
M  V30 18 C 0.866 0.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 N -0.9135 -0.0932 0.0 0
M  V30 21 C -0.1045 -1.4945 0.0 0
M  V30 22 N -1.5826 -0.8364 0.0 0
M  V30 23 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 2 7 9
M  V30 9 1 7 10
M  V30 10 1 11 10 CFG=1
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 6 8
M  V30 24 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001383886951

>  <name>
NA

>  <smiles>
OCC(CNC(=O)Cc1cc[nH]n1)NC(=O)c1cccc(=O)[nH]1

$$$$
ZINC001471637914
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 18 19 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 -0.5 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 N 4.3301 1.0 0.0 0
M  V30 4 C 3.4641 -0.4999 0.0 0
M  V30 5 C 3.4641 1.5 0.0 0
M  V30 6 C 2.598 0.0 0.0 0 CFG=2
M  V30 7 C 2.598 1.0 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 O 1.732 -1.5 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C -0.866 0.0 0.0 0
M  V30 13 C 0.0 -1.4999 0.0 0
M  V30 14 O -0.866 1.0 0.0 0
M  V30 15 C -1.732 -0.4999 0.0 0
M  V30 16 C -0.866 -1.9999 0.0 0
M  V30 17 C -1.732 -1.4999 0.0 0
M  V30 18 O -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 1 5 7
M  V30 7 1 6 8 CFG=1
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 2 15 17
M  V30 17 1 17 18
M  V30 18 1 6 7
M  V30 19 1 16 17
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001471637914

>  <name>
NA

>  <smiles>
Oc1ccc(NC(=O)C2CCNC(=O)C2)c(O)c1

$$$$
ZINC000332852717
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S -1.0093 0.9686 0.0 0
M  V30 2 C -0.1305 0.4914 0.0 0
M  V30 3 C -0.8271 1.9518 0.0 0
M  V30 4 N 0.5948 1.1797 0.0 0
M  V30 5 C 0.0 -0.5 0.0 0
M  V30 6 C 0.1643 2.0823 0.0 0
M  V30 7 N 0.866 0.0 0.0 0
M  V30 8 C -0.2588 -1.4659 0.0 0
M  V30 9 C -0.9659 -0.2411 0.0 0
M  V30 10 C 0.6414 2.9612 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0
M  V30 12 C -1.2247 -1.2071 0.0 0
M  V30 13 O 2.598 0.0 0.0 0
M  V30 14 C 1.732 -1.5 0.0 0
M  V30 15 C 0.866 -1.9999 0.0 0
M  V30 16 C 2.598 -2.0 0.0 0
M  V30 17 C 0.866 -2.9999 0.0 0
M  V30 18 C 2.598 -3.0 0.0 0
M  V30 19 O 0.0 -3.4999 0.0 0
M  V30 20 N 1.732 -3.5 0.0 0
M  V30 21 C 3.4641 -3.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 8 12
M  V30 12 2 11 13
M  V30 13 1 11 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 4 6
M  V30 22 1 9 12
M  V30 23 1 18 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000332852717

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)NC1(CCC1)c1nc(C)cs1

$$$$
ZINC000796115476
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.4641 2.5 0.0 0
M  V30 2 C 3.4641 2.5 0.0 0
M  V30 3 F 3.4641 3.5 0.0 0
M  V30 4 F 4.4641 2.5 0.0 0
M  V30 5 C 3.4641 1.5 0.0 0
M  V30 6 C 2.598 1.0 0.0 0
M  V30 7 C 4.3301 1.0 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 C 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.4999 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0 CFG=1
M  V30 12 O 1.732 -1.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 O 0.866 1.0 0.0 0
M  V30 15 N 0.0 -0.5 0.0 0
M  V30 16 C -0.8262 0.0633 0.0 0
M  V30 17 C 0.0747 -1.4972 0.0 0
M  V30 18 C -1.7818 -0.2314 0.0 0
M  V30 19 C -0.6583 -2.1773 0.0 0
M  V30 20 N -2.1471 -1.1623 0.0 0
M  V30 21 C -1.6471 -2.0283 0.0 0
M  V30 22 O -2.2104 -2.8545 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 11 8
M  V30 11 1 11 12 CFG=1
M  V30 12 1 11 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 21 22
M  V30 22 1 9 10
M  V30 23 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000796115476

>  <name>
NA

>  <smiles>
OC(C(=O)N1CCNC(=O)CC1)c1cccc(c1)C(F)(F)F

$$$$
ZINC000332863296
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 3.9999 0.0 0
M  V30 2 C 2.598 2.9999 0.0 0
M  V30 3 N 3.4641 2.4999 0.0 0
M  V30 4 C 1.732 2.4999 0.0 0
M  V30 5 C 3.4641 1.4999 0.0 0
M  V30 6 C 1.732 1.4999 0.0 0
M  V30 7 C 2.598 0.9999 0.0 0
M  V30 8 C 4.3301 0.9999 0.0 0
M  V30 9 C 0.866 0.9999 0.0 0
M  V30 10 O 0.0 1.5 0.0 0
M  V30 11 N 0.866 0.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C 0.8386 -1.0446 0.0 0
M  V30 14 C -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 N 0.891 -2.0432 0.0 0
M  V30 17 N 1.7722 -0.6862 0.0 0
M  V30 18 C -1.5826 -0.8364 0.0 0
M  V30 19 C -1.0826 -1.7024 0.0 0
M  V30 20 O 1.8569 -2.302 0.0 0
M  V30 21 C 2.4015 -1.4634 0.0 0
M  V30 22 C 3.4002 -1.411 0.0 0
M  V30 23 C 4.2912 -1.865 0.0 0
M  V30 24 C 4.2388 -0.8664 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 2 17 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 22 24
M  V30 24 1 6 7
M  V30 25 1 18 19
M  V30 26 1 20 21
M  V30 27 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000332863296

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1noc(n1)C1CC1

$$$$
ZINC001624555970
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9073 0.2318 0.0 0
M  V30 2 C 5.9128 0.3364 0.0 0
M  V30 3 N 5.4128 1.2024 0.0 0
M  V30 4 N 5.2436 -0.4067 0.0 0
M  V30 5 C 4.4346 0.9945 0.0 0
M  V30 6 C 4.3301 0.0 0.0 0
M  V30 7 O 3.6915 1.6636 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0
M  V30 9 C 2.598 0.0 0.0 0
M  V30 10 C 1.732 -0.5 0.0 0
M  V30 11 O 1.732 -1.5 0.0 0
M  V30 12 N 0.866 0.0 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0 CFG=2
M  V30 14 C 0.0 -1.5 0.0 0
M  V30 15 C -0.866 0.0 0.0 0
M  V30 16 C -0.866 -1.9999 0.0 0
M  V30 17 C 0.7431 -2.1691 0.0 0
M  V30 18 C -1.732 -0.4999 0.0 0
M  V30 19 N -0.6581 -2.9781 0.0 0
M  V30 20 C -1.732 -1.4999 0.0 0
M  V30 21 N 0.3364 -3.0826 0.0 0
M  V30 22 C -1.3272 -3.7212 0.0 0
M  V30 23 C -2.3053 -3.5133 0.0 0
M  V30 24 O -2.9745 -4.2565 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 13 12 CFG=3
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 16 20
M  V30 20 2 17 21
M  V30 21 1 19 22
M  V30 22 1 22 23
M  V30 23 1 23 24
M  V30 24 2 5 6
M  V30 25 1 18 20
M  V30 26 1 19 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001624555970

>  <name>
NA

>  <smiles>
OCCn1ncc2C(CCCc12)NC(=O)CCc1[nH]c(=O)[nH]c1O

$$$$
ZINC000876809532
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.4641 2.5 0.0 0
M  V30 2 C 3.4641 2.5 0.0 0
M  V30 3 F 3.4641 3.5 0.0 0
M  V30 4 F 4.4641 2.5 0.0 0
M  V30 5 C 3.4641 1.5 0.0 0
M  V30 6 C 2.598 1.0 0.0 0
M  V30 7 C 4.3301 1.0 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 C 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.4999 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0
M  V30 12 N 1.732 -1.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 O 0.866 1.0 0.0 0
M  V30 15 N 0.0 -0.5 0.0 0
M  V30 16 C -0.866 0.0 0.0 0
M  V30 17 C 0.0 -1.4999 0.0 0
M  V30 18 C -1.732 -0.4999 0.0 0
M  V30 19 C -0.866 -1.9999 0.0 0
M  V30 20 O -1.732 -1.4999 0.0 0
M  V30 21 C -2.598 0.0 0.0 0
M  V30 22 N -3.4641 -0.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 1 21 22
M  V30 22 1 9 10
M  V30 23 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000876809532

>  <name>
NA

>  <smiles>
NCC1CN(CCO1)C(=O)C(N)c1cccc(c1)C(F)(F)F

$$$$
ZINC000621273884
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 1.299 1.4999 0.0 0
M  V30 2 C 2.598 2.2499 0.0 0
M  V30 3 C 3.8971 1.5 0.0 0
M  V30 4 C 2.598 3.7499 0.0 0
M  V30 5 C 5.1961 2.25 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0 CFG=1
M  V30 7 C 3.8971 4.5 0.0 0
M  V30 8 C 5.1961 3.75 0.0 0
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 5.1961 -0.75 0.0 0
M  V30 11 F 6.4951 4.5 0.0 0
M  V30 12 C 1.299 0.0 0.0 0
M  V30 13 C 6.4951 0.0 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 N -1.299 0.0 0.0 0
M  V30 16 C 0.0 -2.2499 0.0 0
M  V30 17 C -2.598 -0.7499 0.0 0
M  V30 18 C -1.299 -2.9999 0.0 0
M  V30 19 N -4.0246 -0.2864 0.0 0
M  V30 20 N -2.598 -2.2499 0.0 0
M  V30 21 O -1.299 -4.4999 0.0 0
M  V30 22 C -4.9063 -1.4999 0.0 0
M  V30 23 N -4.0246 -2.7135 0.0 0
M  V30 24 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 3
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9 CFG=3
M  V30 9 1 6 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 2 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 22 24
M  V30 24 1 7 8
M  V30 25 1 18 20
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000621273884

>  <name>
NA

>  <smiles>
CCC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1cc(F)ccc1F

$$$$
ZINC001511105640
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 7.8298 -3.4249 0.0 0
M  V30 2 C 8.4176 -2.6159 0.0 0
M  V30 3 F 9.4121 -2.7205 0.0 0
M  V30 4 C 8.0108 -1.7024 0.0 0
M  V30 5 N 8.5108 -0.8364 0.0 0
M  V30 6 C 7.0327 -1.4945 0.0 0
M  V30 7 N 7.8417 -0.0932 0.0 0
M  V30 8 C 6.9282 -0.5 0.0 0
M  V30 9 C 6.0621 0.0 0.0 0
M  V30 10 O 6.0621 0.9999 0.0 0
M  V30 11 N 5.1961 -0.5 0.0 0
M  V30 12 C 4.3301 0.0 0.0 0
M  V30 13 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 14 N 2.598 0.0 0.0 0
M  V30 15 C 3.4641 -1.5 0.0 0
M  V30 16 C 1.732 -0.5 0.0 0
M  V30 17 O 4.3301 -2.0 0.0 0
M  V30 18 O 1.732 -1.5 0.0 0
M  V30 19 C 0.866 0.0 0.0 0
M  V30 20 C 0.0 -0.5 0.0 0
M  V30 21 N -0.9135 -0.0932 0.0 0
M  V30 22 C -0.1045 -1.4945 0.0 0
M  V30 23 C -1.5826 -0.8364 0.0 0
M  V30 24 N -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 4 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 13 12
M  V30 13 1 13 14 CFG=1
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 2 20 22
M  V30 22 2 21 23
M  V30 23 1 22 24
M  V30 24 2 7 8
M  V30 25 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001511105640

>  <name>
NA

>  <smiles>
OCC(CNC(=O)c1cc([nH]n1)C(F)F)NC(=O)Cc1c[nH]cn1

$$$$
ZINC001460175491
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 6.5664 -0.1398 0.0 0
M  V30 2 C 5.1961 -0.75 0.0 0
M  V30 3 C 7.5701 -1.2546 0.0 0
M  V30 4 N 5.3529 -2.2417 0.0 0
M  V30 5 C 3.8971 0.0 0.0 0 CFG=1
M  V30 6 C 6.8201 -2.5536 0.0 0
M  V30 7 N 2.598 -0.75 0.0 0
M  V30 8 C 3.8971 1.5 0.0 0
M  V30 9 C 7.4302 -3.9239 0.0 0
M  V30 10 C 1.299 0.0 0.0 0
M  V30 11 F 2.3971 1.5 0.0 0
M  V30 12 F 3.8971 3.0 0.0 0
M  V30 13 F 5.3971 1.5 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 N -1.299 0.0 0.0 0
M  V30 16 C 0.0 -2.2499 0.0 0
M  V30 17 C -2.598 -0.7499 0.0 0
M  V30 18 C -1.299 -2.9999 0.0 0
M  V30 19 N -4.0246 -0.2864 0.0 0
M  V30 20 N -2.598 -2.2499 0.0 0
M  V30 21 O -1.299 -4.4999 0.0 0
M  V30 22 C -4.9063 -1.4999 0.0 0
M  V30 23 N -4.0246 -2.7135 0.0 0
M  V30 24 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 5 2
M  V30 5 2 3 6
M  V30 6 1 5 7 CFG=1
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 1 8 11
M  V30 11 1 8 12
M  V30 12 1 8 13
M  V30 13 1 10 14
M  V30 14 1 14 15
M  V30 15 2 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 22 24
M  V30 24 1 4 6
M  V30 25 1 18 20
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001460175491

>  <name>
NA

>  <smiles>
Cc1csc(n1)C(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)C(F)(F)F

$$$$
ZINC000504652075
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 4.3301 -2.9999 0.0 0
M  V30 2 C 4.3301 -1.9999 0.0 0
M  V30 3 C 5.1961 -1.5 0.0 0
M  V30 4 C 3.4641 -1.5 0.0 0
M  V30 5 O 6.0621 -2.0 0.0 0
M  V30 6 N 5.1961 -0.5 0.0 0
M  V30 7 C 3.4641 -0.5 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 C 2.598 0.0 0.0 0
M  V30 10 C 4.3301 1.0 0.0 0
M  V30 11 O 2.598 1.0 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0
M  V30 15 C -0.866 0.0 0.0 0
M  V30 16 C 0.0 -1.4999 0.0 0
M  V30 17 C -1.732 -0.4999 0.0 0
M  V30 18 C -0.866 -1.9999 0.0 0
M  V30 19 C -1.732 -1.4999 0.0 0
M  V30 20 C -2.598 0.0 0.0 0
M  V30 21 F -3.098 -0.866 0.0 0
M  V30 22 F -3.4641 0.5 0.0 0
M  V30 23 F -2.098 0.866 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 2 4
M  V30 4 2 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 1 20 23
M  V30 23 2 7 8
M  V30 24 1 18 19
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000504652075

>  <name>
NA

>  <smiles>
Cc1[nH]c(=O)c(Br)cc1C(=O)NCc1cccc(c1)C(F)(F)F

$$$$
ZINC000825651684
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F -0.0693 -3.5872 0.0 0
M  V30 2 C 0.8965 -3.846 0.0 0
M  V30 3 F 0.6377 -4.8119 0.0 0
M  V30 4 F 1.8625 -4.1048 0.0 0
M  V30 5 C 1.1553 -2.8801 0.0 0
M  V30 6 C 0.4482 -2.173 0.0 0
M  V30 7 C 2.1213 -2.6213 0.0 0
M  V30 8 C 0.7071 -1.2071 0.0 0
M  V30 9 C 2.3801 -1.6553 0.0 0
M  V30 10 C 1.673 -0.9482 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 N 0.866 0.0 0.0 0
M  V30 13 C -1.0 -0.4999 0.0 0
M  V30 14 C -0.5 -1.366 0.0 0
M  V30 15 C 0.866 0.9999 0.0 0
M  V30 16 O 0.0 1.5 0.0 0
M  V30 17 C 1.732 1.4999 0.0 0
M  V30 18 C 1.732 2.4999 0.0 0 CFG=2
M  V30 19 N 0.923 3.0877 0.0 0
M  V30 20 C 2.541 3.0877 0.0 0
M  V30 21 C 1.232 4.0388 0.0 0
M  V30 22 C 2.232 4.0388 0.0 0
M  V30 23 O 0.6442 4.8478 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 18 17 CFG=3
M  V30 18 1 18 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 9 10
M  V30 24 1 13 14
M  V30 25 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 18)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000825651684

>  <name>
NA

>  <smiles>
FC(F)(F)c1cccc(c1)C1(CC1)NC(=O)CC1CCC(=O)N1

$$$$
ZINC001064458832
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 7.7942 -0.75 0.0 0
M  V30 2 C 6.4952 0.0 0.0 0
M  V30 3 F 6.4952 1.5 0.0 0
M  V30 4 C 5.1961 -0.75 0.0 0
M  V30 5 C 3.8971 0.0 0.0 0
M  V30 6 C 4.4461 -2.049 0.0 0
M  V30 7 C 5.9461 -2.049 0.0 0
M  V30 8 O 3.8971 1.5 0.0 0
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 1.299 0.0 0.0 0
M  V30 11 C 0.0 -0.75 0.0 0
M  V30 12 N 1.19 -1.6631 0.0 0
M  V30 13 C -1.4488 -0.3617 0.0 0
M  V30 14 C -0.3882 -2.1988 0.0 0
M  V30 15 C 0.9942 -3.1503 0.0 0
M  V30 16 C -1.8371 -1.8106 0.0 0
M  V30 17 O -0.3915 -3.7243 0.0 0
M  V30 18 C 2.1842 -4.0634 0.0 0 CFG=2
M  V30 19 C 1.9884 -5.5506 0.0 0
M  V30 20 C 3.57 -3.4894 0.0 0
M  V30 21 C 3.1785 -6.4637 0.0 0
M  V30 22 C 4.7601 -4.4025 0.0 0
M  V30 23 O 2.9827 -7.9509 0.0 0
M  V30 24 N 4.5643 -5.8897 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 4 5
M  V30 5 1 4 6
M  V30 6 1 4 7
M  V30 7 2 5 8
M  V30 8 1 5 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 2 15 17
M  V30 17 1 18 15 CFG=1
M  V30 18 1 18 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 21 24
M  V30 24 1 14 16
M  V30 25 1 22 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 18)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001064458832

>  <name>
NA

>  <smiles>
CC(C)(C(F)F)C(=O)NCC1(CCC1)NC(=O)C1CCNC(=O)C1

$$$$
ZINC001451082717
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 8.6393 0.2318 0.0 0
M  V30 2 C 7.6448 0.3364 0.0 0
M  V30 3 C 7.1448 1.2024 0.0 0
M  V30 4 C 6.9757 -0.4067 0.0 0
M  V30 5 N 6.1667 0.9945 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 O 5.1961 -1.4999 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 C 3.4641 -1.5 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 4.3301 -2.0 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.9135 -0.0932 0.0 0
M  V30 19 C -0.1045 -1.4945 0.0 0
M  V30 20 C -1.5826 -0.8364 0.0 0
M  V30 21 N -1.0826 -1.7024 0.0 0
M  V30 22 O -2.5771 -0.7318 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 5 6
M  V30 23 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001451082717

>  <name>
NA

>  <smiles>
CCC(CNC(O)c1c[nH]c(=O)[nH]1)NC(=O)c1cc(Cl)c[nH]1

$$$$
ZINC000184529594
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 -0.5 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 N 4.3301 1.0 0.0 0
M  V30 4 C 3.4641 -0.4999 0.0 0
M  V30 5 C 3.4641 1.5 0.0 0
M  V30 6 C 2.598 0.0 0.0 0
M  V30 7 C 2.598 1.0 0.0 0
M  V30 8 C 3.4641 2.5 0.0 0
M  V30 9 C 1.732 -0.5 0.0 0
M  V30 10 C 3.9641 3.366 0.0 0
M  V30 11 C 2.9641 3.366 0.0 0
M  V30 12 O 1.732 -1.5 0.0 0
M  V30 13 N 0.866 0.0 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0
M  V30 15 C -0.0523 0.4986 0.0 0
M  V30 16 C -0.1045 -1.4945 0.0 0
M  V30 17 C -0.9135 -0.0932 0.0 0
M  V30 18 C -0.9433 0.9526 0.0 0
M  V30 19 C 0.7863 1.0432 0.0 0
M  V30 20 C -1.0826 -1.7024 0.0 0
M  V30 21 C -1.5826 -0.8364 0.0 0
M  V30 22 C -0.9956 1.9512 0.0 0
M  V30 23 C 0.7339 2.0418 0.0 0
M  V30 24 C -0.157 2.4958 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 2 9 12
M  V30 12 1 9 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 1 17 21
M  V30 21 1 18 22
M  V30 22 2 19 23
M  V30 23 2 22 24
M  V30 24 1 6 7
M  V30 25 1 10 11
M  V30 26 1 20 21
M  V30 27 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000184529594

>  <name>
NA

>  <smiles>
O=C(NC1(CCCC1)c1ccccc1)c1cc([nH]c(=O)c1)C1CC1

$$$$
ZINC001307549881
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.598 2.9999 0.0 0
M  V30 2 C 3.4641 2.5 0.0 0
M  V30 3 C 3.4641 1.5 0.0 0
M  V30 4 C 4.3301 3.0 0.0 0
M  V30 5 N 2.598 0.9999 0.0 0
M  V30 6 C 4.3301 0.9999 0.0 0
M  V30 7 C 5.1961 2.5 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 C 1.732 1.4999 0.0 0
M  V30 10 C 5.1961 1.5 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 C 1.732 2.4999 0.0 0
M  V30 13 N 3.4641 -1.5 0.0 0
M  V30 14 C 4.3301 0.0 0.0 0
M  V30 15 C 4.3301 -2.0 0.0 0
M  V30 16 C 5.1961 -0.5 0.0 0
M  V30 17 N 4.538 -2.9781 0.0 0
M  V30 18 N 5.1961 -1.5 0.0 0
M  V30 19 O 6.0621 0.0 0.0 0
M  V30 20 C 5.5325 -3.0826 0.0 0
M  V30 21 N 5.9392 -2.1691 0.0 0
M  V30 22 N 6.0325 -3.9487 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 2 6 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 11 13
M  V30 13 2 11 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 2 20 22
M  V30 22 1 7 10
M  V30 23 1 16 18
M  V30 24 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001307549881

>  <name>
NA

>  <smiles>
CCN(Cc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccccc1F

$$$$
ZINC000359820394
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.8689 0.5 0.0 0
M  V30 2 C 5.8689 0.5 0.0 0
M  V30 3 N 5.2811 1.309 0.0 0
M  V30 4 N 5.2811 -0.309 0.0 0
M  V30 5 C 4.3301 1.0 0.0 0
M  V30 6 C 5.5902 2.26 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 5.5902 -1.26 0.0 0
M  V30 9 C 3.4641 1.4999 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.9999 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 O 1.732 1.4999 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 1.0 0.0 0
M  V30 22 C -0.866 -1.9999 0.0 0
M  V30 23 C -1.732 -1.4999 0.0 0
M  V30 24 C -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 2 20 23
M  V30 23 1 22 24
M  V30 24 2 5 7
M  V30 25 1 11 12
M  V30 26 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000359820394

>  <name>
NA

>  <smiles>
Cc1ccc(C)c(c1)C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1O

$$$$
ZINC001427862937
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 8.6393 0.2318 0.0 0
M  V30 2 C 7.6448 0.3364 0.0 0
M  V30 3 C 7.1448 1.2024 0.0 0
M  V30 4 C 6.9757 -0.4067 0.0 0
M  V30 5 N 6.1667 0.9945 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 O 5.1961 -1.4999 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0 CFG=2
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 1.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 3.098 1.866 0.0 0
M  V30 16 C 2.098 1.866 0.0 0
M  V30 17 O 0.866 1.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 N -0.9135 -0.0932 0.0 0
M  V30 20 C -0.1045 -1.4945 0.0 0
M  V30 21 C -1.5826 -0.8364 0.0 0
M  V30 22 C -1.0826 -1.7024 0.0 0
M  V30 23 F -1.4894 -2.6159 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 11 10
M  V30 11 1 11 12 CFG=3
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 14 18
M  V30 18 1 18 19
M  V30 19 2 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 22 23
M  V30 23 1 5 6
M  V30 24 1 15 16
M  V30 25 2 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001427862937

>  <name>
NA

>  <smiles>
Fc1c[nH]c(c1)C(=O)NC(CNC(=O)c1cc(Cl)c[nH]1)C1CC1

$$$$
ZINC001244511444
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 0.866 0.0 0.0 0
M  V30 2 C 1.732 -0.5 0.0 0
M  V30 3 C 0.0 -0.5 0.0 0
M  V30 4 C 1.732 -1.5 0.0 0
M  V30 5 C 2.598 0.0 0.0 0
M  V30 6 C 2.598 -2.0 0.0 0
M  V30 7 C 3.4641 -0.5 0.0 0
M  V30 8 C 2.598 -3.0 0.0 0
M  V30 9 C 3.4641 -1.5 0.0 0
M  V30 10 C 4.3301 0.0 0.0 0
M  V30 11 C 1.732 -3.5 0.0 0
M  V30 12 C 3.4641 -3.5 0.0 0
M  V30 13 F 3.8301 0.866 0.0 0
M  V30 14 F 5.1961 0.4999 0.0 0
M  V30 15 F 4.8301 -0.866 0.0 0
M  V30 16 C 1.732 -4.5 0.0 0
M  V30 17 C 0.866 -3.0 0.0 0
M  V30 18 N 3.4641 -4.5 0.0 0
M  V30 19 C 2.598 -5.0 0.0 0
M  V30 20 C 0.866 -4.9999 0.0 0
M  V30 21 C 0.0 -3.4999 0.0 0
M  V30 22 C 4.3301 -5.0 0.0 0
M  V30 23 O 2.598 -6.0 0.0 0
M  V30 24 C 0.0 -4.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 1 4 6
M  V30 6 2 5 7
M  V30 7 1 6 8
M  V30 8 2 6 9
M  V30 9 1 7 10
M  V30 10 1 8 11
M  V30 11 2 8 12
M  V30 12 1 10 13
M  V30 13 1 10 14
M  V30 14 1 10 15
M  V30 15 2 11 16
M  V30 16 1 11 17
M  V30 17 1 12 18
M  V30 18 1 16 19
M  V30 19 1 16 20
M  V30 20 2 17 21
M  V30 21 1 18 22
M  V30 22 2 19 23
M  V30 23 2 20 24
M  V30 24 1 7 9
M  V30 25 1 18 19
M  V30 26 1 21 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001244511444

>  <name>
NA

>  <smiles>
CSc1cc(cc(c1)C(F)(F)F)-c1cn(C)c(=O)c2ccccc12

$$$$
ZINC001362647266
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 7.7942 0.0 0.0 0
M  V30 2 C 6.9282 -0.5 0.0 0
M  V30 3 C 6.0621 0.0 0.0 0
M  V30 4 C 6.9282 -1.5 0.0 0
M  V30 5 C 5.1961 -0.5 0.0 0
M  V30 6 C 6.0621 -2.0 0.0 0
M  V30 7 C 5.1961 -1.5 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 10 O 3.4641 -1.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 O 0.866 1.0 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 N -0.9135 -0.0932 0.0 0
M  V30 17 C -0.1045 -1.4945 0.0 0
M  V30 18 C -1.5826 -0.8364 0.0 0
M  V30 19 C -1.0826 -1.7024 0.0 0
M  V30 20 C -1.4894 -2.6159 0.0 0
M  V30 21 N -1.8961 -3.5295 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 9 8
M  V30 9 1 9 10 CFG=3
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 2 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 3 20 21
M  V30 21 1 6 7
M  V30 22 2 18 19
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001362647266

>  <name>
NA

>  <smiles>
OC(CNC(=O)c1cc(c[nH]1)C#N)Cc1cccc(F)c1

$$$$
ZINC000658980572
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.8985 3.4487 0.0 0
M  V30 2 C 6.3985 2.5826 0.0 0
M  V30 3 N 5.404 2.4781 0.0 0
M  V30 4 N 6.8053 1.6691 0.0 0
M  V30 5 C 5.1961 1.5 0.0 0
M  V30 6 C 4.7349 3.2212 0.0 0
M  V30 7 C 6.0621 1.0 0.0 0
M  V30 8 C 7.7834 1.4612 0.0 0
M  V30 9 C 4.3301 1.0 0.0 0
M  V30 10 C 6.0621 0.0 0.0 0
M  V30 11 C 4.3301 0.0 0.0 0
M  V30 12 C 5.1961 -0.4999 0.0 0
M  V30 13 N 3.4641 -0.5 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 O 2.598 1.0 0.0 0
M  V30 16 C 1.732 -0.5 0.0 0
M  V30 17 O 1.732 -1.5 0.0 0
M  V30 18 N 0.866 0.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 C -0.9659 -0.2411 0.0 0
M  V30 21 C -0.2588 -1.4659 0.0 0
M  V30 22 C -1.2247 -1.2071 0.0 0
M  V30 23 O -2.0907 -1.7071 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 22 23
M  V30 23 2 5 7
M  V30 24 1 11 12
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000658980572

>  <name>
NA

>  <smiles>
Cn1c2ccc(NC(=O)C(=O)NC3CC(O)C3)cc2n(C)c1=O

$$$$
ZINC000797758918
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.0412 -0.7318 0.0 0
M  V30 2 C 5.0467 -0.8364 0.0 0
M  V30 3 O 4.3776 -0.0932 0.0 0
M  V30 4 C 4.5467 -1.7024 0.0 0
M  V30 5 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 6 C 3.5686 -1.4945 0.0 0
M  V30 7 C 4.8557 -2.6534 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 C 2.8994 -2.2376 0.0 0
M  V30 10 C 4.1866 -3.3966 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0
M  V30 12 C 3.2085 -3.1887 0.0 0
M  V30 13 O 1.732 -1.5 0.0 0
M  V30 14 N 0.866 0.0 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 C -0.1305 0.4914 0.0 0
M  V30 17 C -0.2588 -1.4659 0.0 0
M  V30 18 C -0.9659 -0.2411 0.0 0
M  V30 19 N -1.0093 0.9686 0.0 0
M  V30 20 N 0.5948 1.1797 0.0 0
M  V30 21 C -1.2247 -1.2071 0.0 0
M  V30 22 N -0.8271 1.9518 0.0 0
M  V30 23 C 0.1643 2.0823 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 3
M  V30 5 2 4 6
M  V30 6 1 4 7
M  V30 7 1 5 8 CFG=3
M  V30 8 1 6 9
M  V30 9 2 7 10
M  V30 10 1 8 11
M  V30 11 2 9 12
M  V30 12 2 11 13
M  V30 13 1 11 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 1 16 20
M  V30 20 1 17 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 5 6
M  V30 24 1 10 12
M  V30 25 1 18 21
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000797758918

>  <name>
NA

>  <smiles>
O=C(CC1OC(=O)c2ccccc12)NC1(CCC1)c1nc[nH]n1

$$$$
ZINC000131832522
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 3.4344 -0.9521 0.0 0
M  V30 2 C 2.5105 -1.3348 0.0 0
M  V30 3 C 1.7172 -0.726 0.0 0
M  V30 4 C 2.38 -2.3262 0.0 0
M  V30 5 C 0.7933 -1.1087 0.0 0
M  V30 6 C 1.4561 -2.7089 0.0 0
M  V30 7 C 0.6628 -2.1002 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.9659 -0.2411 0.0 0
M  V30 11 C -0.2588 -1.4659 0.0 0
M  V30 12 C 0.866 0.9999 0.0 0
M  V30 13 C -1.2247 -1.2071 0.0 0
M  V30 14 O 1.732 1.4999 0.0 0
M  V30 15 C 0.0 1.5 0.0 0 CFG=2
M  V30 16 C 0.0 2.5 0.0 0
M  V30 17 C -0.866 1.0 0.0 0
M  V30 18 C -0.866 3.0 0.0 0
M  V30 19 C -1.732 1.5 0.0 0
M  V30 20 O -0.866 4.0 0.0 0
M  V30 21 N -1.732 2.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 2 12 14
M  V30 14 1 15 12 CFG=1
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 6 7
M  V30 22 1 11 13
M  V30 23 1 19 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 15)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000131832522

>  <name>
NA

>  <smiles>
Brc1cccc(c1)C1(CCC1)NC(=O)C1CCNC(=O)C1

$$$$
ZINC000291634617
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.0325 -3.9487 0.0 0
M  V30 2 C 5.5325 -3.0826 0.0 0
M  V30 3 N 5.9392 -2.1691 0.0 0
M  V30 4 N 4.538 -2.9781 0.0 0
M  V30 5 C 5.1961 -1.4999 0.0 0
M  V30 6 C 6.9174 -1.9612 0.0 0
M  V30 7 C 4.3301 -1.9999 0.0 0
M  V30 8 C 3.8689 -3.7212 0.0 0
M  V30 9 C 5.1961 -0.5 0.0 0
M  V30 10 C 3.4641 -1.4999 0.0 0
M  V30 11 C 4.3301 0.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0
M  V30 13 O 4.3301 1.0 0.0 0
M  V30 14 N 2.598 0.0 0.0 0
M  V30 15 C 1.732 -0.5 0.0 0
M  V30 16 O 1.732 -1.5 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 N 0.0 -0.5 0.0 0
M  V30 19 N -0.9135 -0.0932 0.0 0
M  V30 20 C -0.1045 -1.4945 0.0 0
M  V30 21 C -1.5826 -0.8364 0.0 0
M  V30 22 C -1.0826 -1.7024 0.0 0
M  V30 23 C 0.6386 -2.1636 0.0 0
M  V30 24 C -2.5771 -0.7318 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 21 24
M  V30 24 2 5 7
M  V30 25 1 11 12
M  V30 26 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000291634617

>  <name>
NA

>  <smiles>
Cc1cc(C)n(CC(=O)Nc2cc3n(C)c(=O)n(C)c3cc2O)n1

$$$$
ZINC001176379494
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 0.0 0.0 0
M  V30 2 C 3.4641 -0.5 0.0 0
M  V30 3 N 3.4641 -1.5 0.0 0
M  V30 4 C 2.598 0.0 0.0 0 CFG=1
M  V30 5 C 2.598 -1.9999 0.0 0
M  V30 6 C 4.3301 -2.0 0.0 0
M  V30 7 N 2.598 0.9999 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 N 1.732 -1.4999 0.0 0
M  V30 10 C 2.598 -2.9999 0.0 0
M  V30 11 N 4.3301 -3.0 0.0 0
M  V30 12 C 5.1961 -1.5 0.0 0
M  V30 13 C 3.4641 1.4999 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 3.4641 -3.5 0.0 0
M  V30 16 C 1.732 -3.4999 0.0 0
M  V30 17 O 4.3301 1.0 0.0 0
M  V30 18 C 3.4641 2.5 0.0 0
M  V30 19 N -0.0475 -0.4067 0.0 0
M  V30 20 C 0.7614 0.9945 0.0 0
M  V30 21 N 1.732 -4.4999 0.0 0
M  V30 22 C -0.7166 0.3364 0.0 0
M  V30 23 N -0.2166 1.2024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 4 2
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7 CFG=3
M  V30 7 1 4 8
M  V30 8 2 5 9
M  V30 9 1 5 10
M  V30 10 2 6 11
M  V30 11 1 6 12
M  V30 12 1 7 13
M  V30 13 1 8 14
M  V30 14 2 10 15
M  V30 15 1 10 16
M  V30 16 2 13 17
M  V30 17 1 13 18
M  V30 18 1 14 19
M  V30 19 2 14 20
M  V30 20 1 16 21
M  V30 21 2 19 22
M  V30 22 1 20 23
M  V30 23 1 11 15
M  V30 24 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 4)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001176379494

>  <name>
NA

>  <smiles>
CC(=O)NC(Cc1c[nH]cn1)C(=O)n1c(C)ncc(CN)c1=N

$$$$
ZINC000539789228
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O -1.4894 -2.6159 0.0 0
M  V30 2 C -1.0826 -1.7024 0.0 0
M  V30 3 N -0.1045 -1.4945 0.0 0
M  V30 4 C -1.5826 -0.8364 0.0 0
M  V30 5 C 0.0 -0.5 0.0 0 CFG=2
M  V30 6 C -0.9135 -0.0932 0.0 0
M  V30 7 C 0.866 0.0 0.0 0
M  V30 8 C 0.8386 -1.0446 0.0 0
M  V30 9 C 1.732 -0.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 O 2.598 1.0 0.0 0
M  V30 12 N 3.4641 -0.5 0.0 0
M  V30 13 C 4.3301 0.0 0.0 0
M  V30 14 C 5.1961 -0.5 0.0 0
M  V30 15 C 6.0621 0.0 0.0 0
M  V30 16 N 6.9757 -0.4067 0.0 0
M  V30 17 C 6.1667 0.9945 0.0 0
M  V30 18 C 7.6448 0.3364 0.0 0
M  V30 19 C 7.1448 1.2024 0.0 0
M  V30 20 C 8.6448 0.3364 0.0 0
M  V30 21 C 7.6448 2.0684 0.0 0
M  V30 22 C 9.1448 1.2024 0.0 0
M  V30 23 C 8.6448 2.0684 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 3
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8 CFG=1
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 2 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 2 21 23
M  V30 23 1 5 6
M  V30 24 2 18 19
M  V30 25 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000539789228

>  <name>
NA

>  <smiles>
CC1(CCC(=O)NCCc2cc3ccccc3[nH]2)CCC(=O)N1

$$$$
ZINC001443934566
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 8.6602 -0.5 0.0 0
M  V30 2 C 7.7942 0.0 0.0 0
M  V30 3 N 7.7942 0.9999 0.0 0
M  V30 4 C 6.9282 -0.5 0.0 0
M  V30 5 C 6.9282 1.4999 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 6.0621 1.0 0.0 0
M  V30 8 C 5.1961 -0.5 0.0 0
M  V30 9 O 5.1961 -1.4999 0.0 0
M  V30 10 N 4.3301 0.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 2.598 1.0 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 C 1.732 1.5 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.9135 -0.0932 0.0 0
M  V30 19 N -0.1045 -1.4945 0.0 0
M  V30 20 C -1.5826 -0.8364 0.0 0
M  V30 21 N -1.0826 -1.7024 0.0 0
M  V30 22 C 0.6386 -2.1636 0.0 0
M  V30 23 C 0.4307 -3.1418 0.0 0
M  V30 24 C 1.5896 -1.8546 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 19 22
M  V30 22 1 22 23
M  V30 23 1 22 24
M  V30 24 1 6 7
M  V30 25 2 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001443934566

>  <name>
NA

>  <smiles>
CCC(CNC(=O)C1CCNC(=O)C1)NCc1ncnn1C(C)C

$$$$
ZINC000777460983
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 9.0932 0.0 0.0 0
M  V30 2 C 7.7942 -0.75 0.0 0
M  V30 3 N 6.4951 0.0 0.0 0
M  V30 4 C 7.7942 -2.2499 0.0 0
M  V30 5 C 5.1961 -0.75 0.0 0
M  V30 6 C 6.4951 -3.0 0.0 0
M  V30 7 C 5.1961 -2.2499 0.0 0
M  V30 8 C 3.8971 0.0 0.0 0
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 1.299 0.0 0.0 0
M  V30 11 O 1.299 1.5 0.0 0
M  V30 12 C 0.0 -0.75 0.0 0 CFG=1
M  V30 13 O -1.299 0.0 0.0 0
M  V30 14 C 0.0 -2.2499 0.0 0
M  V30 15 C -2.598 -0.7499 0.0 0
M  V30 16 N -1.299 -2.9999 0.0 0
M  V30 17 C -2.598 -2.2499 0.0 0
M  V30 18 C -3.8971 0.0 0.0 0
M  V30 19 C -1.299 -4.4999 0.0 0
M  V30 20 C -3.8971 -2.9999 0.0 0
M  V30 21 C -5.1961 -0.7499 0.0 0
M  V30 22 O -2.598 -5.2499 0.0 0
M  V30 23 C 0.0 -5.2499 0.0 0
M  V30 24 C -5.1961 -2.2499 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 12 10 CFG=3
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 2 19 22
M  V30 22 1 19 23
M  V30 23 2 20 24
M  V30 24 1 6 7
M  V30 25 1 16 17
M  V30 26 1 21 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000777460983

>  <name>
NA

>  <smiles>
CC(=O)N1CC(Oc2ccccc12)C(=O)NCc1cccc(=O)[nH]1

$$$$
ZINC001703827999
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 7.8139 1.9455 0.0 0
M  V30 2 C 7.1448 1.2024 0.0 0
M  V30 3 C 8.7275 1.5388 0.0 0
M  V30 4 C 7.6448 0.3364 0.0 0
M  V30 5 C 6.1667 0.9945 0.0 0
M  V30 6 C 8.623 0.5443 0.0 0
M  V30 7 N 6.9757 -0.4067 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 C 5.1961 -0.5 0.0 0
M  V30 10 O 5.1961 -1.4999 0.0 0
M  V30 11 N 4.3301 0.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 13 C 3.4641 -1.5 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 C 2.9641 -2.366 0.0 0
M  V30 16 C 3.9641 -2.366 0.0 0
M  V30 17 N 1.732 -0.5 0.0 0
M  V30 18 C 0.866 0.0 0.0 0
M  V30 19 O 0.866 1.0 0.0 0
M  V30 20 C 0.0 -0.5 0.0 0
M  V30 21 N -0.9135 -0.0932 0.0 0
M  V30 22 C -0.1045 -1.4945 0.0 0
M  V30 23 C -1.5826 -0.8364 0.0 0
M  V30 24 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 4 7
M  V30 7 2 5 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 12 11 CFG=3
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 2 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 4 6
M  V30 25 1 7 8
M  V30 26 1 15 16
M  V30 27 2 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001703827999

>  <name>
NA

>  <smiles>
O=C(NCC(NC(=O)c1cc2sccc2[nH]1)C1CC1)c1ccc[nH]1

$$$$
ZINC001318664555
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.359 -5.1298 0.0 0
M  V30 2 C 2.4113 -4.1311 0.0 0
M  V30 3 N 3.3023 -3.6771 0.0 0
M  V30 4 C 1.5726 -3.5865 0.0 0
M  V30 5 C 3.3546 -2.6785 0.0 0
M  V30 6 C 1.625 -2.5879 0.0 0
M  V30 7 O 4.2456 -2.2245 0.0 0
M  V30 8 C 2.516 -2.1339 0.0 0
M  V30 9 C 0.7863 -2.0432 0.0 0 CFG=2
M  V30 10 O -0.1046 -2.4972 0.0 0
M  V30 11 N 0.8386 -1.0446 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C -0.9135 -0.0932 0.0 0
M  V30 14 C -0.1045 -1.4945 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 C -1.5826 -0.8364 0.0 0
M  V30 17 C -1.0826 -1.7024 0.0 0
M  V30 18 N 1.732 -0.5 0.0 0
M  V30 19 C 2.598 0.0 0.0 0
M  V30 20 C 3.4641 -0.5 0.0 0
M  V30 21 C 2.598 1.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 9 6
M  V30 9 1 9 10 CFG=3
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 1 6 8
M  V30 22 1 16 17
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001318664555

>  <name>
NA

>  <smiles>
CC(C)NCC1(CCCC1)NC(O)c1cc(O)[nH]c(=O)c1

$$$$
ZINC000645309503
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.9535 -2.6159 0.0 0
M  V30 2 C 4.5467 -1.7024 0.0 0
M  V30 3 N 5.0467 -0.8364 0.0 0
M  V30 4 C 3.5686 -1.4945 0.0 0
M  V30 5 C 6.0412 -0.7318 0.0 0
M  V30 6 C 4.3776 -0.0932 0.0 0
M  V30 7 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 8 C 6.629 -1.5408 0.0 0
M  V30 9 C 6.448 0.1816 0.0 0
M  V30 10 N 2.598 0.0 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0
M  V30 12 O 1.732 -1.5 0.0 0
M  V30 13 N 0.866 0.0 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0
M  V30 15 C -0.1305 0.4914 0.0 0
M  V30 16 C -0.2588 -1.4659 0.0 0
M  V30 17 C -0.9659 -0.2411 0.0 0
M  V30 18 C -1.0544 0.8741 0.0 0
M  V30 19 C 0.6628 1.1002 0.0 0
M  V30 20 C -1.2247 -1.2071 0.0 0
M  V30 21 C -1.1849 1.8655 0.0 0
M  V30 22 C 0.5323 2.0916 0.0 0
M  V30 23 C -0.3915 2.4743 0.0 0
M  V30 24 C -2.1088 2.2482 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 7 4
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 7 10 CFG=3
M  V30 10 1 10 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 2 21 23
M  V30 23 1 21 24
M  V30 24 1 6 7
M  V30 25 1 17 20
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 7)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000645309503

>  <name>
NA

>  <smiles>
CC(C)N1CC(CC1=O)NC(=O)NC1(CCC1)c1cccc(C)c1

$$$$
ZINC001580113731
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.4641 1.4999 0.0 0
M  V30 2 C 4.3301 1.0 0.0 0
M  V30 3 C 4.3301 0.0 0.0 0
M  V30 4 C 5.1961 1.5 0.0 0
M  V30 5 C 5.1961 -0.4999 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 7 C 6.0621 1.0 0.0 0
M  V30 8 F 5.1961 -1.4999 0.0 0
M  V30 9 C 6.0621 0.0 0.0 0
M  V30 10 N 3.4641 -1.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 O 2.598 1.0 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 N -0.866 0.0 0.0 0
M  V30 17 C 0.0 -1.4999 0.0 0
M  V30 18 C -1.732 -0.4999 0.0 0
M  V30 19 C -0.866 -1.9999 0.0 0
M  V30 20 C -1.732 -1.4999 0.0 0
M  V30 21 O -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 3
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 5 9
M  V30 9 1 6 10 CFG=1
M  V30 10 1 6 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 2 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 2 19 21
M  V30 21 1 7 9
M  V30 22 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001580113731

>  <name>
NA

>  <smiles>
NC(C(=O)NCc1cc(=O)cc[nH]1)c1c(F)cccc1F

$$$$
ZINC000346652120
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.75 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 C 5.1961 2.25 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 5.1961 3.75 0.0 0
M  V30 9 C 2.598 -0.75 0.0 0
M  V30 10 C 3.8971 4.5 0.0 0
M  V30 11 O 2.598 -2.25 0.0 0
M  V30 12 N 1.299 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 C -0.3882 0.6988 0.0 0
M  V30 15 C -0.7499 -2.049 0.0 0
M  V30 16 C -1.4999 -0.75 0.0 0
M  V30 17 C -1.8371 1.0871 0.0 0
M  V30 18 C 0.6724 1.7595 0.0 0
M  V30 19 C -2.2253 2.536 0.0 0
M  V30 20 C 0.2842 3.2084 0.0 0
M  V30 21 C -1.1646 3.5966 0.0 0
M  V30 22 O -1.5529 5.0455 0.0 0
M  V30 23 C -0.4922 6.1062 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 14 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 2 19 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 6 7
M  V30 24 1 15 16
M  V30 25 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000346652120

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CC1)c1ccc(OC)cc1

$$$$
ZINC001627499877
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 5.8295 -2.981 0.0 0
M  V30 2 C 4.8785 -2.672 0.0 0
M  V30 3 C 4.6705 -1.6939 0.0 0
M  V30 4 C 4.1353 -3.3411 0.0 0
M  V30 5 C 3.7195 -1.3848 0.0 0
M  V30 6 C 3.1843 -3.0321 0.0 0
M  V30 7 N 3.5116 -0.4067 0.0 0
M  V30 8 C 2.9763 -2.054 0.0 0
M  V30 9 N 4.1807 0.3364 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 C 3.6807 1.2024 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.7026 0.9945 0.0 0
M  V30 14 C 4.0874 2.1159 0.0 0
M  V30 15 C 0.866 0.0 0.0 0 CFG=1
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 O -2.598 0.0 0.0 0
M  V30 23 N -1.732 -1.4999 0.0 0
M  V30 24 O -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 7 10
M  V30 10 1 9 11
M  V30 11 2 10 12 CFG=2
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 1 15 12
M  V30 15 1 15 16 CFG=3
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 2 21 24
M  V30 24 1 6 8
M  V30 25 2 11 13
M  V30 26 1 21 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 15)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001627499877

>  <name>
NA

>  <smiles>
Cc1cc(=NC(O)c2cc(=O)[nH]c(=O)[nH]2)n([nH]1)-c1cccc(Br)c1

$$$$
ZINC001718596922
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 7.8139 1.9455 0.0 0
M  V30 2 C 7.1448 1.2024 0.0 0
M  V30 3 C 8.7275 1.5388 0.0 0
M  V30 4 C 7.6448 0.3364 0.0 0
M  V30 5 C 6.1667 0.9945 0.0 0
M  V30 6 C 8.623 0.5443 0.0 0
M  V30 7 N 6.9757 -0.4067 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 C 5.1961 -0.5 0.0 0
M  V30 10 O 5.1961 -1.4999 0.0 0
M  V30 11 N 4.3301 0.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 13 C 3.4641 -1.5 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 O 4.3301 -2.0 0.0 0
M  V30 16 N 1.732 -0.5 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 O 0.866 1.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 C -0.866 0.0 0.0 0
M  V30 21 C 0.0 -1.4999 0.0 0
M  V30 22 N -1.732 -0.4999 0.0 0
M  V30 23 C -0.866 -1.9999 0.0 0
M  V30 24 C -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 4 7
M  V30 7 2 5 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 12 11 CFG=3
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 16 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 2 22 24
M  V30 24 1 4 6
M  V30 25 1 7 8
M  V30 26 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001718596922

>  <name>
NA

>  <smiles>
OCC(CNC(=O)c1cccnc1)NC(=O)c1cc2sccc2[nH]1

$$$$
ZINC001487941289
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 7.5515 2.1159 0.0 0
M  V30 2 C 7.1448 1.2024 0.0 0
M  V30 3 N 6.1667 0.9945 0.0 0
M  V30 4 C 7.6448 0.3364 0.0 0
M  V30 5 C 6.0621 0.0 0.0 0
M  V30 6 Cl 8.6393 0.2318 0.0 0
M  V30 7 C 6.9757 -0.4067 0.0 0
M  V30 8 C 5.1961 -0.5 0.0 0
M  V30 9 O 5.1961 -1.4999 0.0 0
M  V30 10 N 4.3301 0.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 12 C 3.4641 -1.5 0.0 0
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 O 4.3301 -2.0 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 O 0.866 1.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 N -0.9135 -0.0932 0.0 0
M  V30 20 C -0.1045 -1.4945 0.0 0
M  V30 21 C -1.5826 -0.8364 0.0 0
M  V30 22 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 11 10 CFG=3
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 2 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 5 7
M  V30 23 2 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001487941289

>  <name>
NA

>  <smiles>
OCC(CNC(=O)c1ccc[nH]1)NC(=O)c1cc(Cl)c(Cl)[nH]1

$$$$
ZINC001610900780
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 7.7942 -2.0 0.0 0
M  V30 2 C 6.9282 -1.5 0.0 0
M  V30 3 C 6.9282 -0.5 0.0 0
M  V30 4 C 6.0621 -2.0 0.0 0
M  V30 5 C 6.0621 0.0 0.0 0
M  V30 6 C 5.1961 -1.5 0.0 0
M  V30 7 O 6.0621 0.9999 0.0 0
M  V30 8 C 5.1961 -0.5 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 O 3.4641 -1.5 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 1.732 -1.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 C 0.866 -1.9999 0.0 0
M  V30 17 C 2.598 -2.0 0.0 0
M  V30 18 O 0.866 1.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 C 0.866 -2.9999 0.0 0
M  V30 21 C 2.598 -3.0 0.0 0
M  V30 22 C 1.732 -3.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 2 17 21
M  V30 21 2 20 22
M  V30 22 1 6 8
M  V30 23 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001610900780

>  <name>
NA

>  <smiles>
CC(=O)N(CC(=O)Nc1ccc(Cl)cc1O)c1ccccc1

$$$$
ZINC000528771399
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 -0.5 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 N 6.0621 0.9999 0.0 0
M  V30 4 C 5.1961 -0.4999 0.0 0
M  V30 5 N 6.8053 1.6691 0.0 0
M  V30 6 C 5.1961 1.4999 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 6.3985 2.5826 0.0 0
M  V30 9 N 5.404 2.4781 0.0 0
M  V30 10 N 4.3301 1.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 6.8985 3.4487 0.0 0
M  V30 13 N 2.598 0.0 0.0 0
M  V30 14 C 1.732 -0.5 0.0 0 CFG=2
M  V30 15 C 1.732 -1.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 0.866 -1.9999 0.0 0
M  V30 18 C 2.598 -2.0 0.0 0
M  V30 19 C 0.866 1.0 0.0 0
M  V30 20 C 0.0 -0.5 0.0 0
M  V30 21 C 0.866 -2.9999 0.0 0
M  V30 22 C 2.598 -3.0 0.0 0
M  V30 23 C 1.732 -3.5 0.0 0
M  V30 24 C 0.0 -3.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13 CFG=3
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 16 20
M  V30 20 1 17 21
M  V30 21 2 18 22
M  V30 22 2 21 23
M  V30 23 1 21 24
M  V30 24 1 7 10
M  V30 25 1 8 9
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000528771399

>  <name>
NA

>  <smiles>
CC(C)C(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1cccc(C)c1

$$$$
ZINC000802992027
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.1961 2.5 0.0 0
M  V30 2 C 5.1961 2.4999 0.0 0
M  V30 3 F 5.1961 3.4999 0.0 0
M  V30 4 F 6.1961 2.4999 0.0 0
M  V30 5 C 5.1961 1.4999 0.0 0
M  V30 6 C 4.3301 1.0 0.0 0
M  V30 7 C 6.0621 0.9999 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 C 6.0621 0.0 0.0 0
M  V30 10 C 5.1961 -0.5 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 12 O 3.4641 -1.5 0.0 0
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 O 2.598 1.0 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 O -2.598 0.0 0.0 0
M  V30 23 C -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 11 8
M  V30 11 1 11 12 CFG=1
M  V30 12 1 11 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 9 10
M  V30 24 2 21 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000802992027

>  <name>
NA

>  <smiles>
OC(C(=O)NCc1cccc(=O)[nH]1)c1cccc(c1)C(F)(F)F

$$$$
ZINC000645348350
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 1.3256 2.7004 0.0 0
M  V30 2 C 0.5323 2.0916 0.0 0
M  V30 3 C 0.6628 1.1002 0.0 0
M  V30 4 C -0.3915 2.4743 0.0 0
M  V30 5 C -0.1305 0.4914 0.0 0
M  V30 6 C -1.1849 1.8655 0.0 0
M  V30 7 C -1.0544 0.8741 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.2588 -1.4659 0.0 0
M  V30 11 C -0.9659 -0.2411 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 C -1.2247 -1.2071 0.0 0
M  V30 14 O 1.732 -1.5 0.0 0
M  V30 15 N 2.598 0.0 0.0 0
M  V30 16 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 17 C 3.5686 -1.4945 0.0 0
M  V30 18 C 4.3776 -0.0932 0.0 0
M  V30 19 N 4.5467 -1.7024 0.0 0
M  V30 20 C 5.0467 -0.8364 0.0 0
M  V30 21 C 4.9535 -2.6159 0.0 0
M  V30 22 O 6.0412 -0.7318 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 16 15 CFG=1
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 6 7
M  V30 23 1 11 13
M  V30 24 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 16)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000645348350

>  <name>
NA

>  <smiles>
CN1CC(CC1=O)NC(=O)NC1(CCC1)c1cccc(Cl)c1

$$$$
ZINC000108857781
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 -0.5 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 N 6.0621 0.9999 0.0 0
M  V30 4 C 5.1961 -0.4999 0.0 0
M  V30 5 N 6.8053 1.6691 0.0 0
M  V30 6 C 5.1961 1.4999 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 6.3985 2.5826 0.0 0
M  V30 9 N 4.3301 1.0 0.0 0
M  V30 10 C 5.404 2.4781 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 2.598 0.0 0.0 0
M  V30 13 C 1.732 -0.5 0.0 0 CFG=2
M  V30 14 C 1.732 -1.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 C 2.598 -0.9999 0.0 0
M  V30 17 C 0.866 -1.9999 0.0 0
M  V30 18 C 2.598 -2.0 0.0 0
M  V30 19 O 0.866 1.0 0.0 0
M  V30 20 N 0.0 -0.5 0.0 0
M  V30 21 C 0.866 -2.9999 0.0 0
M  V30 22 C 2.598 -3.0 0.0 0
M  V30 23 C 1.732 -3.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 11 12
M  V30 12 1 13 12
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 13 16 CFG=1
M  V30 16 2 14 17
M  V30 17 1 14 18
M  V30 18 2 15 19
M  V30 19 1 15 20
M  V30 20 1 17 21
M  V30 21 2 18 22
M  V30 22 2 21 23
M  V30 23 1 7 9
M  V30 24 2 8 10
M  V30 25 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000108857781

>  <name>
NA

>  <smiles>
CC(NCc1cc(=O)n2[nH]ccc2n1)(C(N)=O)c1ccccc1

$$$$
ZINC000296372378
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 9.0932 -3.0 0.0 0
M  V30 2 C 7.7942 -2.25 0.0 0
M  V30 3 C 7.7942 -0.75 0.0 0
M  V30 4 C 6.4951 -2.9999 0.0 0
M  V30 5 C 6.4951 0.0 0.0 0
M  V30 6 C 5.1961 -2.25 0.0 0
M  V30 7 N 6.4951 1.4999 0.0 0
M  V30 8 C 5.1961 -0.7499 0.0 0
M  V30 9 C 5.1961 2.25 0.0 0
M  V30 10 C 3.8971 0.0 0.0 0
M  V30 11 O 5.1961 3.75 0.0 0
M  V30 12 C 3.8971 1.4999 0.0 0
M  V30 13 C 2.598 -0.75 0.0 0 CFG=2
M  V30 14 O 2.598 -2.25 0.0 0
M  V30 15 N 1.299 0.0 0.0 0
M  V30 16 C 0.0 -0.75 0.0 0
M  V30 17 C -0.1567 -2.2417 0.0 0
M  V30 18 C -1.3703 -0.1398 0.0 0
M  V30 19 C -0.0785 0.7479 0.0 0
M  V30 20 C -1.624 -2.5536 0.0 0
M  V30 21 C -2.374 -1.2546 0.0 0
M  V30 22 C 1.1795 1.5649 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 13 10
M  V30 13 1 13 14 CFG=3
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 6 8
M  V30 23 2 10 12
M  V30 24 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000296372378

>  <name>
NA

>  <smiles>
CCC1(CCCC1)NC(O)c1cc(=O)[nH]c2cc(F)ccc12

$$$$
ZINC001637898759
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 3.3546 -2.6785 0.0 0
M  V30 2 C 2.516 -2.1339 0.0 0
M  V30 3 C 2.5683 -1.1352 0.0 0
M  V30 4 C 1.625 -2.5879 0.0 0
M  V30 5 C 1.7296 -0.5906 0.0 0
M  V30 6 C 0.7863 -2.0432 0.0 0
M  V30 7 C 0.8386 -1.0446 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.9135 -0.0932 0.0 0
M  V30 11 C -0.1045 -1.4945 0.0 0
M  V30 12 C 0.866 0.9999 0.0 0
M  V30 13 C -1.5826 -0.8364 0.0 0
M  V30 14 C -1.0826 -1.7024 0.0 0
M  V30 15 O 0.0 1.5 0.0 0
M  V30 16 N 1.732 1.4999 0.0 0
M  V30 17 C 1.732 2.4999 0.0 0 CFG=2
M  V30 18 C 0.923 3.0877 0.0 0
M  V30 19 C 2.541 3.0877 0.0 0
M  V30 20 O 1.232 4.0388 0.0 0
M  V30 21 C 2.232 4.0388 0.0 0
M  V30 22 O 2.8198 4.8478 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 17 16 CFG=3
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 21 22
M  V30 22 1 6 7
M  V30 23 1 13 14
M  V30 24 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 17)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001637898759

>  <name>
NA

>  <smiles>
Brc1ccc(cc1)C1(CCCC1)NC(=O)NC1COC(=O)C1

$$$$
ZINC001420724026
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 6.9757 -0.4067 0.0 0
M  V30 2 C 7.6448 0.3364 0.0 0
M  V30 3 C 6.0621 0.0 0.0 0
M  V30 4 C 8.6393 0.2318 0.0 0
M  V30 5 C 7.1448 1.2024 0.0 0
M  V30 6 C 6.1667 0.9945 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 N 9.6338 0.1273 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 1.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 3.098 1.866 0.0 0
M  V30 16 C 2.098 1.866 0.0 0
M  V30 17 O 0.866 1.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 C -0.866 0.0 0.0 0
M  V30 20 C 0.0 -1.4999 0.0 0
M  V30 21 C -1.732 -0.4999 0.0 0
M  V30 22 C -0.866 -1.9999 0.0 0
M  V30 23 O -2.598 0.0 0.0 0
M  V30 24 N -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 2 4
M  V30 4 2 2 5
M  V30 5 2 3 6
M  V30 6 1 3 7
M  V30 7 3 4 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 14 18
M  V30 18 1 18 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 21 24
M  V30 24 1 5 6
M  V30 25 1 15 16
M  V30 26 1 22 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001420724026

>  <name>
NA

>  <smiles>
O=C(NC(CNCc1ccc(s1)C#N)C1CC1)C1CCNC(=O)C1

$$$$
ZINC001365304300
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 8.6602 2.4999 0.0 0
M  V30 2 C 7.7942 2.9999 0.0 0
M  V30 3 N 7.7942 3.9999 0.0 0
M  V30 4 C 6.9282 2.4999 0.0 0
M  V30 5 N 8.5373 4.6691 0.0 0
M  V30 6 C 6.9282 4.4999 0.0 0
M  V30 7 C 6.0621 2.9999 0.0 0
M  V30 8 C 8.1306 5.5826 0.0 0
M  V30 9 N 7.1361 5.4781 0.0 0
M  V30 10 N 6.0621 3.9999 0.0 0
M  V30 11 C 5.1961 2.4999 0.0 0
M  V30 12 N 8.6306 6.4487 0.0 0
M  V30 13 N 5.1961 1.4999 0.0 0
M  V30 14 C 4.3301 1.0 0.0 0
M  V30 15 C 6.0621 0.9999 0.0 0
M  V30 16 C 4.3301 0.0 0.0 0 CFG=2
M  V30 17 C 6.0621 0.0 0.0 0
M  V30 18 C 5.1961 -0.5 0.0 0
M  V30 19 C 3.4641 -0.5 0.0 0
M  V30 20 C 2.598 0.0 0.0 0
M  V30 21 N 1.732 -0.5 0.0 0
M  V30 22 C 0.866 0.0 0.0 0
M  V30 23 O 0.866 1.0 0.0 0
M  V30 24 C 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 16 14
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 16 19 CFG=3
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 1 21 22
M  V30 22 2 22 23
M  V30 23 1 22 24
M  V30 24 1 7 10
M  V30 25 1 8 9
M  V30 26 1 17 18
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 16)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001365304300

>  <name>
NA

>  <smiles>
CC(=O)NCCC1CCCN(Cc2cc(=O)n3[nH]c(=N)nc3[nH]2)C1

$$$$
ZINC000759870090
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 5.1961 1.5 0.0 0
M  V30 2 C 6.0621 1.0 0.0 0
M  V30 3 C 6.0621 0.0 0.0 0
M  V30 4 C 6.9282 1.4999 0.0 0
M  V30 5 C 6.9282 -0.5 0.0 0
M  V30 6 C 5.1961 -0.5 0.0 0
M  V30 7 C 7.7942 1.0 0.0 0
M  V30 8 C 7.7942 0.0 0.0 0
M  V30 9 O 5.1961 -1.4999 0.0 0
M  V30 10 C 4.3301 0.0 0.0 0
M  V30 11 F 8.6602 1.5 0.0 0
M  V30 12 N 3.4641 -0.5 0.0 0
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 C 2.598 1.0 0.0 0
M  V30 15 C 1.732 -0.5 0.0 0
M  V30 16 C 3.4641 1.5 0.0 0
M  V30 17 C 1.732 1.4999 0.0 0
M  V30 18 O 1.732 -1.5 0.0 0
M  V30 19 O 0.866 0.0 0.0 0
M  V30 20 C 3.4641 2.5 0.0 0
M  V30 21 C 1.732 2.5 0.0 0
M  V30 22 C 0.0 -0.5 0.0 0
M  V30 23 O 4.3301 3.0 0.0 0
M  V30 24 C 2.598 3.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 2 17 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 20 24
M  V30 24 1 7 8
M  V30 25 1 21 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000759870090

>  <name>
NA

>  <smiles>
COC(=O)C(NCC(O)c1ccc(F)cc1F)c1cccc(O)c1

$$$$
ZINC000542648455
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F -0.157 -3.7458 0.0 0
M  V30 2 C 1.1795 -3.0649 0.0 0
M  V30 3 C 1.258 -1.5669 0.0 0
M  V30 4 C 2.4375 -3.8818 0.0 0
M  V30 5 C 2.5945 -0.8859 0.0 0
M  V30 6 C 0.0 -0.75 0.0 0
M  V30 7 C 3.774 -3.2008 0.0 0
M  V30 8 C 3.8525 -1.7029 0.0 0
M  V30 9 N 1.299 0.0 0.0 0
M  V30 10 C -1.3703 -0.1398 0.0 0
M  V30 11 C -0.1567 -2.2417 0.0 0
M  V30 12 F 5.032 -4.0178 0.0 0
M  V30 13 C 1.299 1.4999 0.0 0
M  V30 14 C -2.374 -1.2546 0.0 0
M  V30 15 C -1.624 -2.5536 0.0 0
M  V30 16 O 2.598 2.2499 0.0 0
M  V30 17 C 0.0 2.25 0.0 0
M  V30 18 C -1.299 1.5 0.0 0
M  V30 19 C 0.0 3.75 0.0 0
M  V30 20 C -2.598 2.25 0.0 0
M  V30 21 C -1.299 4.5 0.0 0
M  V30 22 O -3.8971 1.5 0.0 0
M  V30 23 N -2.598 3.75 0.0 0
M  V30 24 C -1.299 6.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 6 11
M  V30 11 1 7 12
M  V30 12 1 9 13
M  V30 13 1 10 14
M  V30 14 1 11 15
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 21 24
M  V30 24 1 7 8
M  V30 25 1 14 15
M  V30 26 1 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000542648455

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1ccc(F)cc1F

$$$$
ZINC001176131833
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.598 -2.9999 0.0 0
M  V30 2 C 2.598 -3.0 0.0 0
M  V30 3 F 2.598 -4.0 0.0 0
M  V30 4 F 1.598 -3.0 0.0 0
M  V30 5 C 2.598 -1.9999 0.0 0
M  V30 6 C 3.4641 -1.5 0.0 0
M  V30 7 C 1.732 -1.5 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0
M  V30 9 C 1.732 -0.5 0.0 0
M  V30 10 N 4.3301 0.0 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 N 0.866 0.0 0.0 0
M  V30 13 C 5.2436 -0.4067 0.0 0
M  V30 14 C 4.4346 0.9945 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 N 5.9128 0.3364 0.0 0
M  V30 17 C 5.4128 1.2024 0.0 0
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C 5.8195 2.1159 0.0 0
M  V30 21 N -1.732 -0.4999 0.0 0
M  V30 22 C -0.866 -1.9999 0.0 0
M  V30 23 C -1.732 -1.4999 0.0 0
M  V30 24 O -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 1 8 10
M  V30 10 2 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 10 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 2 14 17
M  V30 17 2 15 18
M  V30 18 1 15 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 1 21 23
M  V30 23 2 23 24
M  V30 24 1 9 11
M  V30 25 1 16 17
M  V30 26 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001176131833

>  <name>
NA

>  <smiles>
Cc1cn(cn1)-c1cc(Nc2ccc(=O)[nH]c2)cc(c1)C(F)(F)F

$$$$
ZINC000187135063
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 9.0932 -3.0 0.0 0
M  V30 2 C 7.7942 -2.25 0.0 0
M  V30 3 C 7.7942 -0.75 0.0 0
M  V30 4 C 6.4951 -2.9999 0.0 0
M  V30 5 C 6.4951 0.0 0.0 0
M  V30 6 C 5.1961 -2.25 0.0 0
M  V30 7 N 6.4951 1.4999 0.0 0
M  V30 8 C 5.1961 -0.7499 0.0 0
M  V30 9 C 5.1961 2.25 0.0 0
M  V30 10 C 3.8971 0.0 0.0 0
M  V30 11 O 5.1961 3.75 0.0 0
M  V30 12 C 3.8971 1.4999 0.0 0
M  V30 13 C 2.598 -0.75 0.0 0
M  V30 14 O 2.598 -2.25 0.0 0
M  V30 15 N 1.299 0.0 0.0 0
M  V30 16 C 0.0 -0.75 0.0 0
M  V30 17 C -1.299 0.0 0.0 0
M  V30 18 C 0.0 -2.2499 0.0 0
M  V30 19 O -1.299 1.5 0.0 0
M  V30 20 C -2.598 -0.7499 0.0 0
M  V30 21 C -1.299 -2.9999 0.0 0
M  V30 22 C -2.598 -2.2499 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 20 22
M  V30 22 1 6 8
M  V30 23 2 10 12
M  V30 24 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000187135063

>  <name>
NA

>  <smiles>
OC(NC1CCCCC1O)c1cc(=O)[nH]c2cc(F)ccc12

$$$$
ZINC001434471242
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.423 -7.8036 0.0 0
M  V30 2 C 5.722 -7.0536 0.0 0
M  V30 3 N 7.0211 -7.8036 0.0 0
M  V30 4 C 5.722 -5.5536 0.0 0
M  V30 5 N 7.3329 -9.2708 0.0 0
M  V30 6 C 8.3201 -7.0536 0.0 0
M  V30 7 C 7.0211 -4.8036 0.0 0
M  V30 8 C 8.8247 -9.4276 0.0 0
M  V30 9 N 9.4348 -8.0573 0.0 0
M  V30 10 N 8.3201 -5.5536 0.0 0
M  V30 11 C 7.0211 -3.3036 0.0 0
M  V30 12 N 9.5747 -10.7267 0.0 0
M  V30 13 N 5.722 -2.5536 0.0 0
M  V30 14 C 4.3517 -3.1637 0.0 0
M  V30 15 C 5.5652 -1.0618 0.0 0
M  V30 16 C 3.348 -2.049 0.0 0
M  V30 17 C 4.098 -0.75 0.0 0
M  V30 18 C 2.598 -0.75 0.0 0
M  V30 19 C 1.299 0.0 0.0 0
M  V30 20 O 0.0 -0.75 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 7 10
M  V30 21 1 8 9
M  V30 22 1 16 17
M  V30 23 1 17 18
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001434471242

>  <name>
NA

>  <smiles>
OCC1C2CN(Cc3cc(=O)n4[nH]c(=N)nc4[nH]3)CC12

$$$$
ZINC001580113986
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.1961 2.5 0.0 0
M  V30 2 C 5.1961 2.4999 0.0 0
M  V30 3 F 5.1961 3.4999 0.0 0
M  V30 4 F 6.1961 2.4999 0.0 0
M  V30 5 C 5.1961 1.4999 0.0 0
M  V30 6 C 4.3301 1.0 0.0 0
M  V30 7 C 6.0621 0.9999 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 C 6.0621 0.0 0.0 0
M  V30 10 C 5.1961 -0.5 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 12 N 3.4641 -1.5 0.0 0
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 O 2.598 1.0 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 O -2.598 0.0 0.0 0
M  V30 23 C -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 11 8
M  V30 11 1 11 12 CFG=1
M  V30 12 1 11 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 9 10
M  V30 24 2 21 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001580113986

>  <name>
NA

>  <smiles>
NC(C(=O)NCc1cccc(=O)[nH]1)c1cccc(c1)C(F)(F)F

$$$$
ZINC001175569604
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.4641 2.4999 0.0 0
M  V30 2 C 3.4641 1.4999 0.0 0
M  V30 3 N 2.598 1.0 0.0 0
M  V30 4 N 4.3301 0.9999 0.0 0
M  V30 5 C 2.598 0.0 0.0 0
M  V30 6 C 1.732 1.5 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 C 3.4641 -0.5 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 1.732 -1.5 0.0 0
M  V30 12 C 3.4641 -1.5 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0
M  V30 14 C 2.598 -2.0 0.0 0
M  V30 15 C -0.866 0.0 0.0 0
M  V30 16 C 0.0 -1.4999 0.0 0
M  V30 17 C -1.732 -0.4999 0.0 0
M  V30 18 C -0.866 -1.9999 0.0 0
M  V30 19 C -1.732 -1.4999 0.0 0
M  V30 20 C -2.598 -1.9999 0.0 0
M  V30 21 O -2.598 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 2 5 8
M  V30 8 1 5 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 2 9 12
M  V30 12 1 10 13
M  V30 13 2 11 14
M  V30 14 2 13 15
M  V30 15 1 13 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 2 17 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 1 7 9
M  V30 22 1 12 14
M  V30 23 1 18 19
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001175569604

>  <name>
NA

>  <smiles>
CN1C(=O)NCc2cccc(Nc3ccc(CO)cc3)c12

$$$$
ZINC001642477616
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 6.4951 0.0 0.0 0
M  V30 2 O 7.7942 -0.75 0.0 0
M  V30 3 C 5.1961 -0.75 0.0 0
M  V30 4 C 6.4951 1.5 0.0 0
M  V30 5 C 3.8971 0.0 0.0 0
M  V30 6 N 2.598 -0.75 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 1.299 0.0 0.0 0
M  V30 9 C 5.1961 2.25 0.0 0
M  V30 10 C 2.598 2.2499 0.0 0
M  V30 11 C 0.0 -0.75 0.0 0
M  V30 12 C 5.1961 3.75 0.0 0
M  V30 13 C 2.598 3.75 0.0 0
M  V30 14 N -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.2499 0.0 0
M  V30 16 C 3.8971 4.5 0.0 0
M  V30 17 C -2.598 -0.7499 0.0 0
M  V30 18 C -1.299 -2.9999 0.0 0
M  V30 19 N -4.0246 -0.2864 0.0 0
M  V30 20 N -2.598 -2.2499 0.0 0
M  V30 21 O -1.299 -4.4999 0.0 0
M  V30 22 C -4.9063 -1.4999 0.0 0
M  V30 23 N -4.0246 -2.7135 0.0 0
M  V30 24 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 1 3
M  V30 3 1 1 4
M  V30 4 1 3 5
M  V30 5 1 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 1 7 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 2 10 13
M  V30 13 1 11 14
M  V30 14 2 11 15
M  V30 15 2 12 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 22 24
M  V30 24 1 13 16
M  V30 25 1 18 20
M  V30 26 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001642477616

>  <name>
NA

>  <smiles>
C[S+]([O-])CC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccccc1

$$$$
ZINC001499217894
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 8.4176 -2.6159 0.0 0
M  V30 2 C 8.0108 -1.7024 0.0 0
M  V30 3 C 8.5108 -0.8364 0.0 0
M  V30 4 C 7.0327 -1.4945 0.0 0
M  V30 5 N 7.8417 -0.0932 0.0 0
M  V30 6 C 6.9282 -0.5 0.0 0
M  V30 7 C 6.0621 0.0 0.0 0
M  V30 8 O 6.0621 0.9999 0.0 0
M  V30 9 N 5.1961 -0.5 0.0 0
M  V30 10 C 4.3301 0.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 12 N 2.598 0.0 0.0 0
M  V30 13 C 3.4641 -1.5 0.0 0
M  V30 14 C 1.732 -0.5 0.0 0
M  V30 15 C 4.3301 -2.0 0.0 0
M  V30 16 O 1.732 -1.5 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 N -0.9135 -0.0932 0.0 0
M  V30 20 N -0.1045 -1.4945 0.0 0
M  V30 21 N -1.5826 -0.8364 0.0 0
M  V30 22 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 11 10
M  V30 11 1 11 12 CFG=3
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 5 6
M  V30 23 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001499217894

>  <name>
NA

>  <smiles>
CCC(CNC(=O)c1cc(F)c[nH]1)NC(=O)Cc1nc[nH]n1

$$$$
ZINC000645310215
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 1.3256 2.7004 0.0 0
M  V30 2 C 0.5323 2.0916 0.0 0
M  V30 3 C 0.6628 1.1002 0.0 0
M  V30 4 C -0.3915 2.4743 0.0 0
M  V30 5 C -0.1305 0.4914 0.0 0
M  V30 6 C -1.1849 1.8655 0.0 0
M  V30 7 C -1.0544 0.8741 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.2588 -1.4659 0.0 0
M  V30 11 C -0.9659 -0.2411 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 C -1.2247 -1.2071 0.0 0
M  V30 14 O 1.732 -1.5 0.0 0
M  V30 15 N 2.598 0.0 0.0 0
M  V30 16 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 17 C 3.5686 -1.4945 0.0 0
M  V30 18 C 4.3776 -0.0932 0.0 0
M  V30 19 N 4.5467 -1.7024 0.0 0
M  V30 20 C 5.0467 -0.8364 0.0 0
M  V30 21 C 4.9535 -2.6159 0.0 0
M  V30 22 O 6.0412 -0.7318 0.0 0
M  V30 23 C 4.3657 -3.4249 0.0 0
M  V30 24 C 5.948 -2.7205 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 16 15 CFG=1
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 21 23
M  V30 23 1 21 24
M  V30 24 1 6 7
M  V30 25 1 11 13
M  V30 26 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 16)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000645310215

>  <name>
NA

>  <smiles>
CC(C)N1CC(CC1=O)NC(=O)NC1(CCC1)c1cccc(F)c1

$$$$
ZINC001433878362
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 1.0 0.0 0
M  V30 2 C 2.598 0.0 0.0 0
M  V30 3 N 3.4641 -0.5 0.0 0
M  V30 4 C 1.732 -0.5 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0
M  V30 6 N 0.866 0.0 0.0 0
M  V30 7 C 4.3301 0.9999 0.0 0
M  V30 8 C 5.1961 -0.5 0.0 0
M  V30 9 C 0.866 1.0 0.0 0
M  V30 10 C 0.0 -0.5 0.0 0
M  V30 11 C 5.1961 1.4999 0.0 0
M  V30 12 C 3.5869 1.6691 0.0 0
M  V30 13 C 6.0621 0.0 0.0 0
M  V30 14 C 0.057 1.5877 0.0 0
M  V30 15 C 1.675 1.5877 0.0 0
M  V30 16 N 4.9882 2.4781 0.0 0
M  V30 17 C 6.0621 0.9999 0.0 0
M  V30 18 N 3.9937 2.5826 0.0 0
M  V30 19 O -0.894 1.2787 0.0 0
M  V30 20 C 0.366 2.5388 0.0 0
M  V30 21 C 1.366 2.5388 0.0 0
M  V30 22 C 5.6573 3.2212 0.0 0
M  V30 23 C 6.6355 3.0133 0.0 0
M  V30 24 O 7.3046 3.7565 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 2 7 11
M  V30 11 1 7 12
M  V30 12 1 8 13
M  V30 13 1 9 14
M  V30 14 1 9 15
M  V30 15 1 11 16
M  V30 16 1 11 17
M  V30 17 2 12 18
M  V30 18 1 14 19
M  V30 19 1 14 20
M  V30 20 1 15 21
M  V30 21 1 16 22
M  V30 22 1 22 23
M  V30 23 1 23 24
M  V30 24 1 13 17
M  V30 25 1 16 18
M  V30 26 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001433878362

>  <name>
NA

>  <smiles>
CN(CC(=O)NC1CCCc2c1cnn2CCO)C1CCCC1O

$$$$
ZINC000335552942
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.5185 0.8741 0.0 0
M  V30 2 C 3.5946 0.4914 0.0 0
M  V30 3 C 3.4641 -0.4999 0.0 0
M  V30 4 N 2.598 0.0 0.0 0
M  V30 5 C 3.7229 -1.4659 0.0 0
M  V30 6 C 4.43 -0.2411 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0 CFG=1
M  V30 8 C 4.6888 -1.2071 0.0 0
M  V30 9 O 0.866 0.0 0.0 0
M  V30 10 C 1.732 -1.5 0.0 0
M  V30 11 C 0.866 -1.9999 0.0 0
M  V30 12 C 2.598 -2.0 0.0 0
M  V30 13 C 0.866 -2.9999 0.0 0
M  V30 14 C 0.0 -1.4999 0.0 0
M  V30 15 C 2.598 -3.0 0.0 0
M  V30 16 N 1.732 -3.5 0.0 0
M  V30 17 C 0.0 -3.4999 0.0 0
M  V30 18 C -0.866 -1.9999 0.0 0
M  V30 19 O 3.4641 -3.5 0.0 0
M  V30 20 C -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 7 4
M  V30 7 1 5 8
M  V30 8 1 7 9 CFG=3
M  V30 9 1 7 10
M  V30 10 1 10 11
M  V30 11 2 10 12
M  V30 12 2 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 13 17
M  V30 17 2 14 18
M  V30 18 2 15 19
M  V30 19 2 17 20
M  V30 20 1 6 8
M  V30 21 1 15 16
M  V30 22 1 18 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 7)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000335552942

>  <name>
NA

>  <smiles>
OC(NC1(CF)CCC1)c1cc(=O)[nH]c2ccccc12

$$$$
ZINC000003507286
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 1.732 -0.5 0.0 0
M  V30 2 C 2.598 0.0 0.0 0
M  V30 3 C 0.866 0.0 0.0 0
M  V30 4 N 3.4641 -0.4999 0.0 0
M  V30 5 N 2.598 0.9999 0.0 0
M  V30 6 C 0.0 -0.5 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 3.4641 1.5 0.0 0
M  V30 9 C 1.732 1.4999 0.0 0
M  V30 10 C -0.866 0.0 0.0 0
M  V30 11 C 0.0 -1.4999 0.0 0
M  V30 12 C 4.3301 1.0 0.0 0
M  V30 13 C 5.1961 -0.4999 0.0 0
M  V30 14 O 3.4641 2.5 0.0 0
M  V30 15 C -1.732 -0.4999 0.0 0
M  V30 16 C -0.866 -1.9999 0.0 0
M  V30 17 C 5.1961 1.5 0.0 0
M  V30 18 C 6.0621 0.0 0.0 0
M  V30 19 C -1.732 -1.4999 0.0 0
M  V30 20 C -2.598 0.0 0.0 0
M  V30 21 C 6.0621 1.0 0.0 0
M  V30 22 F -3.098 -0.866 0.0 0
M  V30 23 F -3.4641 0.5 0.0 0
M  V30 24 F -2.098 0.866 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 2 6 10
M  V30 10 1 6 11
M  V30 11 2 7 12
M  V30 12 1 7 13
M  V30 13 2 8 14
M  V30 14 1 10 15
M  V30 15 2 11 16
M  V30 16 1 12 17
M  V30 17 2 13 18
M  V30 18 2 15 19
M  V30 19 1 15 20
M  V30 20 2 17 21
M  V30 21 1 20 22
M  V30 22 1 20 23
M  V30 23 1 20 24
M  V30 24 1 8 12
M  V30 25 1 16 19
M  V30 26 1 18 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000003507286

>  <name>
NA

>  <smiles>
Cn1c(SCc2cccc(c2)C(F)(F)F)nc2ccccc2c1=O

$$$$
ZINC001118746772
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 0.7248 1.1279 0.0 0
M  V30 2 C -0.0523 0.4986 0.0 0
M  V30 3 C 0.3664 2.0615 0.0 0
M  V30 4 N -0.891 1.0432 0.0 0
M  V30 5 C 0.0 -0.5 0.0 0
M  V30 6 C -0.6321 2.0091 0.0 0
M  V30 7 N 0.866 0.0 0.0 0
M  V30 8 C -0.1045 -1.4945 0.0 0
M  V30 9 C -0.9135 -0.0932 0.0 0
M  V30 10 C -1.2615 2.7863 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0
M  V30 12 C -1.0826 -1.7024 0.0 0
M  V30 13 C -1.5826 -0.8364 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 N 3.4641 -0.5 0.0 0
M  V30 16 C 2.598 0.9999 0.0 0
M  V30 17 C 4.3301 0.0 0.0 0
M  V30 18 C 3.4641 1.5 0.0 0
M  V30 19 N 5.2811 -0.309 0.0 0
M  V30 20 N 4.3301 1.0 0.0 0
M  V30 21 O 3.4641 2.5 0.0 0
M  V30 22 C 5.8689 0.5 0.0 0
M  V30 23 N 5.2811 1.309 0.0 0
M  V30 24 N 6.8689 0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 8 12
M  V30 12 1 9 13
M  V30 13 1 11 14
M  V30 14 1 14 15
M  V30 15 2 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 22 24
M  V30 24 1 4 6
M  V30 25 1 12 13
M  V30 26 1 18 20
M  V30 27 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001118746772

>  <name>
NA

>  <smiles>
Cc1csc(n1)C1(CCCC1)NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC000238900584
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 1.0 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 N 3.4641 -0.5 0.0 0
M  V30 4 N 5.1961 -0.4999 0.0 0
M  V30 5 C 3.4641 -1.5 0.0 0
M  V30 6 C 2.598 0.0 0.0 0
M  V30 7 C 5.1961 -1.4999 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 O 2.598 -2.0 0.0 0
M  V30 10 C 4.3301 -1.9999 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0 CFG=2
M  V30 12 N 5.9392 -2.1691 0.0 0
M  V30 13 N 4.538 -2.9781 0.0 0
M  V30 14 O 1.732 -1.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 C 5.5325 -3.0826 0.0 0
M  V30 17 C 4.1313 -3.8916 0.0 0
M  V30 18 O 0.0 -0.5 0.0 0
M  V30 19 N 5.7404 -4.0608 0.0 0
M  V30 20 C 4.8744 -4.5608 0.0 0
M  V30 21 C 6.654 -4.4675 0.0 0
M  V30 22 C 4.7699 -5.5553 0.0 0
M  V30 23 C 6.7585 -5.462 0.0 0
M  V30 24 O 7.672 -5.8688 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 2 5 9
M  V30 9 1 5 10
M  V30 10 1 11 6
M  V30 11 1 7 12
M  V30 12 1 10 13
M  V30 13 1 11 14 CFG=3
M  V30 14 1 11 15
M  V30 15 2 12 16
M  V30 16 1 13 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 23 24
M  V30 24 2 7 10
M  V30 25 1 13 16
M  V30 26 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000238900584

>  <name>
NA

>  <smiles>
Cc1cn2c(nc3n(C)c(=O)n(CC(O)CO)c(=O)c23)n1CCO

$$$$
ZINC000621322162
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 7.1361 3.1557 0.0 0
M  V30 2 C 6.0365 2.1354 0.0 0
M  V30 3 C 6.3703 0.6731 0.0 0
M  V30 4 C 4.6032 2.5776 0.0 0
M  V30 5 C 5.2707 -0.3471 0.0 0
M  V30 6 C 3.5036 1.5573 0.0 0
M  V30 7 C 3.8374 0.0949 0.0 0
M  V30 8 C 5.8188 -1.7434 0.0 0
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 5.0688 -3.0425 0.0 0
M  V30 11 C 2.4859 -2.2458 0.0 0
M  V30 12 C 1.299 0.0 0.0 0
M  V30 13 C 3.5855 -3.266 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 N 0.0 -2.25 0.0 0
M  V30 16 C -1.299 0.0 0.0 0
M  V30 17 C -1.299 -3.0 0.0 0
M  V30 18 C -2.598 -0.75 0.0 0
M  V30 19 N -1.6109 -4.4672 0.0 0
M  V30 20 N -2.598 -2.25 0.0 0
M  V30 21 O -3.8971 0.0 0.0 0
M  V30 22 C -3.1026 -4.624 0.0 0
M  V30 23 N -3.7127 -3.2536 0.0 0
M  V30 24 N -3.8526 -5.923 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 2 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 22 24
M  V30 24 1 6 7
M  V30 25 1 11 13
M  V30 26 1 18 20
M  V30 27 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000621322162

>  <name>
NA

>  <smiles>
Clc1ccc2N(Cc3cc(=O)n4[nH]c(=N)nc4[nH]3)CCCCc2c1

$$$$
ZINC000582556927
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 9.0932 -3.0 0.0 0
M  V30 2 C 7.7942 -2.25 0.0 0
M  V30 3 C 7.7942 -0.75 0.0 0
M  V30 4 C 6.4951 -2.9999 0.0 0
M  V30 5 C 6.4951 0.0 0.0 0
M  V30 6 C 5.1961 -2.25 0.0 0
M  V30 7 N 6.4951 1.4999 0.0 0
M  V30 8 C 5.1961 -0.7499 0.0 0
M  V30 9 C 5.1961 2.25 0.0 0
M  V30 10 C 3.8971 0.0 0.0 0
M  V30 11 O 5.1961 3.75 0.0 0
M  V30 12 C 3.8971 1.4999 0.0 0
M  V30 13 C 2.598 -0.75 0.0 0
M  V30 14 O 2.598 -2.25 0.0 0
M  V30 15 N 1.299 0.0 0.0 0
M  V30 16 C 0.0 -0.75 0.0 0
M  V30 17 C -0.0785 0.7479 0.0 0
M  V30 18 C -0.1567 -2.2417 0.0 0
M  V30 19 C -1.3703 -0.1398 0.0 0
M  V30 20 O -1.415 1.4289 0.0 0
M  V30 21 N 1.1795 1.5649 0.0 0
M  V30 22 O -1.624 -2.5536 0.0 0
M  V30 23 C -2.374 -1.2546 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 17 21
M  V30 21 1 18 22
M  V30 22 1 19 23
M  V30 23 1 6 8
M  V30 24 2 10 12
M  V30 25 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000582556927

>  <name>
NA

>  <smiles>
NC(=O)C1(CCOC1)NC(O)c1cc(=O)[nH]c2cc(F)ccc12

$$$$
ZINC001346873102
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 10.3626 3.4487 0.0 0
M  V30 2 C 9.8626 2.5826 0.0 0
M  V30 3 N 8.8681 2.4781 0.0 0
M  V30 4 N 10.2694 1.6691 0.0 0
M  V30 5 C 8.6602 1.5 0.0 0
M  V30 6 C 8.199 3.2212 0.0 0
M  V30 7 C 9.5262 1.0 0.0 0
M  V30 8 C 11.2475 1.4612 0.0 0
M  V30 9 C 7.7942 1.0 0.0 0
M  V30 10 C 9.5262 0.0 0.0 0
M  V30 11 C 7.7942 0.0 0.0 0
M  V30 12 C 8.6602 -0.5 0.0 0
M  V30 13 N 6.9282 -0.5 0.0 0
M  V30 14 C 6.0621 0.0 0.0 0
M  V30 15 O 6.0621 0.9999 0.0 0
M  V30 16 C 5.1961 -0.5 0.0 0
M  V30 17 O 5.1961 -1.4999 0.0 0
M  V30 18 N 4.3301 0.0 0.0 0
M  V30 19 C 3.4641 -0.5 0.0 0
M  V30 20 C 2.598 0.0 0.0 0
M  V30 21 C 1.732 -0.5 0.0 0
M  V30 22 C 0.866 0.0 0.0 0
M  V30 23 O 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 2 20 21 CFG=2
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 2 5 7
M  V30 24 1 11 12
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001346873102

>  <name>
NA

>  <smiles>
Cn1c2ccc(NC(=O)C(=O)NCC=CCO)cc2n(C)c1=O

$$$$
ZINC000621245569
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 3.8971 6.0 0.0 0
M  V30 2 C 3.8971 4.5 0.0 0
M  V30 3 C 2.598 3.75 0.0 0
M  V30 4 C 5.1961 3.75 0.0 0
M  V30 5 C 2.598 2.25 0.0 0
M  V30 6 C 5.1961 2.25 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 3.8971 0.0 0.0 0 CFG=1
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 5.1961 -0.75 0.0 0
M  V30 11 C 1.299 0.0 0.0 0
M  V30 12 C 6.4951 0.0 0.0 0
M  V30 13 C 5.1961 -2.25 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 N -1.299 0.0 0.0 0
M  V30 16 C 0.0 -2.2499 0.0 0
M  V30 17 C -2.598 -0.7499 0.0 0
M  V30 18 C -1.299 -2.9999 0.0 0
M  V30 19 N -4.0246 -0.2864 0.0 0
M  V30 20 N -2.598 -2.2499 0.0 0
M  V30 21 O -1.299 -4.4999 0.0 0
M  V30 22 C -4.9063 -1.4999 0.0 0
M  V30 23 N -4.0246 -2.7135 0.0 0
M  V30 24 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 7
M  V30 8 1 8 9 CFG=3
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 1 14 15
M  V30 15 2 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 22 24
M  V30 24 1 6 7
M  V30 25 1 18 20
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000621245569

>  <name>
NA

>  <smiles>
CC(C)C(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccc(Cl)cc1

$$$$
ZINC001176399476
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 1.4999 0.0 0
M  V30 2 C 6.0621 0.9999 0.0 0
M  V30 3 N 5.1961 1.4999 0.0 0
M  V30 4 C 6.0621 0.0 0.0 0
M  V30 5 C 4.3301 0.9999 0.0 0
M  V30 6 N 6.9282 -0.5 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 N 3.4641 1.5 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 O 3.4641 -1.5 0.0 0
M  V30 12 C 2.598 0.0 0.0 0 CFG=1
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 2.598 1.0 0.0 0
M  V30 15 C 1.732 -1.5 0.0 0
M  V30 16 C 1.732 1.5 0.0 0
M  V30 17 O 2.598 -2.0 0.0 0
M  V30 18 C 0.866 -2.0 0.0 0
M  V30 19 N 1.6275 2.4945 0.0 0
M  V30 20 C 0.8185 1.0932 0.0 0
M  V30 21 C 0.6493 2.7024 0.0 0
M  V30 22 N 0.1493 1.8364 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 5 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 12 10
M  V30 12 1 12 13 CFG=1
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 2 16 20
M  V30 20 2 19 21
M  V30 21 1 20 22
M  V30 22 1 7 9
M  V30 23 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001176399476

>  <name>
NA

>  <smiles>
CC(=O)NC(Cc1c[nH]cn1)C(=O)n1cc(N)c(=O)[nH]c1=N

$$$$
ZINC001487967400
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 9.5262 0.0 0.0 0
M  V30 2 C 8.6602 -0.5 0.0 0
M  V30 3 N 7.7942 0.0 0.0 0
M  V30 4 C 8.6602 -1.5 0.0 0
M  V30 5 C 6.9282 -0.5 0.0 0
M  V30 6 C 7.7942 -2.0 0.0 0
M  V30 7 C 6.0621 0.0 0.0 0
M  V30 8 C 6.9282 -1.5 0.0 0
M  V30 9 O 6.0621 0.9999 0.0 0
M  V30 10 N 5.1961 -0.5 0.0 0
M  V30 11 C 4.3301 0.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 13 N 2.598 0.0 0.0 0
M  V30 14 C 3.4641 -1.5 0.0 0
M  V30 15 C 1.732 -0.5 0.0 0
M  V30 16 O 4.3301 -2.0 0.0 0
M  V30 17 O 1.732 -1.5 0.0 0
M  V30 18 C 0.866 0.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 N -0.9135 -0.0932 0.0 0
M  V30 21 C -0.1045 -1.4945 0.0 0
M  V30 22 N -1.5826 -0.8364 0.0 0
M  V30 23 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 2 7 9
M  V30 9 1 7 10
M  V30 10 1 10 11
M  V30 11 1 12 11
M  V30 12 1 12 13 CFG=1
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 6 8
M  V30 24 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001487967400

>  <name>
NA

>  <smiles>
OCC(CNC(=O)c1cccc(=O)[nH]1)NC(=O)Cc1cc[nH]n1

$$$$
ZINC001244365287
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.8971 -4.5 0.0 0
M  V30 2 C 3.8971 -3.0 0.0 0
M  V30 3 C 5.1961 -2.25 0.0 0
M  V30 4 C 2.598 -2.25 0.0 0
M  V30 5 C 5.1961 -0.75 0.0 0
M  V30 6 C 6.4952 -3.0 0.0 0
M  V30 7 C 2.598 -0.75 0.0 0
M  V30 8 F 6.4952 0.0 0.0 0
M  V30 9 C 3.8971 0.0 0.0 0
M  V30 10 C 6.4952 -4.5 0.0 0
M  V30 11 C 7.7942 -2.25 0.0 0
M  V30 12 C 1.299 0.0 0.0 0
M  V30 13 C 7.7942 -5.25 0.0 0
M  V30 14 C 9.0932 -3.0 0.0 0
M  V30 15 O 0.0 -0.75 0.0 0
M  V30 16 N 7.7942 -6.75 0.0 0
M  V30 17 C 9.0932 -4.5 0.0 0
M  V30 18 C 9.0932 -7.5 0.0 0
M  V30 19 C 10.3923 -5.25 0.0 0
M  V30 20 O 9.0932 -9.0 0.0 0
M  V30 21 N 10.3923 -6.75 0.0 0
M  V30 22 C 11.8922 -5.25 0.0 0
M  V30 23 C 11.1422 -3.9509 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 5 9
M  V30 9 2 6 10
M  V30 10 1 6 11
M  V30 11 1 7 12
M  V30 12 1 10 13
M  V30 13 2 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 2 13 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 19 23
M  V30 23 1 7 9
M  V30 24 1 14 17
M  V30 25 1 19 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001244365287

>  <name>
NA

>  <smiles>
CC1(C)NC(=O)Nc2cc(ccc12)-c1c(F)cc(CO)cc1F

$$$$
ZINC000817676623
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.4641 2.5 0.0 0
M  V30 2 C 3.4641 2.5 0.0 0
M  V30 3 F 3.4641 3.5 0.0 0
M  V30 4 F 4.4641 2.5 0.0 0
M  V30 5 C 3.4641 1.5 0.0 0
M  V30 6 C 2.598 1.0 0.0 0
M  V30 7 C 4.3301 1.0 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 C 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.4999 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0
M  V30 12 O 1.732 -1.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 O 0.866 1.0 0.0 0
M  V30 15 N 0.0 -0.5 0.0 0
M  V30 16 C -0.866 0.0 0.0 0
M  V30 17 C 0.0 -1.4999 0.0 0
M  V30 18 C -1.732 -0.4999 0.0 0
M  V30 19 C -0.1589 0.7071 0.0 0
M  V30 20 C -1.5731 0.7071 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 C -1.732 -1.4999 0.0 0
M  V30 23 C -0.866 1.4142 0.0 0
M  V30 24 O -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 1 16 20
M  V30 20 1 17 21
M  V30 21 1 18 22
M  V30 22 1 19 23
M  V30 23 1 22 24
M  V30 24 1 9 10
M  V30 25 1 20 23
M  V30 26 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000817676623

>  <name>
NA

>  <smiles>
OC(C(=O)N1CCC(O)CC11CCC1)c1cccc(c1)C(F)(F)F

$$$$
ZINC001118805512
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 -0.5 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 N 6.0621 0.9999 0.0 0
M  V30 4 C 5.1961 -0.4999 0.0 0
M  V30 5 N 6.8053 1.6691 0.0 0
M  V30 6 C 5.1961 1.4999 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 6.3985 2.5826 0.0 0
M  V30 9 N 5.404 2.4781 0.0 0
M  V30 10 N 4.3301 1.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 6.8985 3.4487 0.0 0
M  V30 13 N 2.598 0.0 0.0 0
M  V30 14 C 1.732 -0.5 0.0 0 CFG=2
M  V30 15 C 1.732 -1.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 0.866 -1.9999 0.0 0
M  V30 18 C 2.598 -2.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 C 0.866 -2.9999 0.0 0
M  V30 21 C 2.598 -3.0 0.0 0
M  V30 22 C 1.732 -3.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13 CFG=3
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 2 20 22
M  V30 22 1 7 10
M  V30 23 1 8 9
M  V30 24 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001118805512

>  <name>
NA

>  <smiles>
CCC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccccc1

$$$$
ZINC000267103178
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 7.7942 -2.0 0.0 0
M  V30 2 C 6.9282 -1.5 0.0 0
M  V30 3 C 6.9282 -0.5 0.0 0
M  V30 4 C 6.0621 -2.0 0.0 0
M  V30 5 C 6.0621 0.0 0.0 0
M  V30 6 C 5.1961 -1.5 0.0 0
M  V30 7 N 6.0621 0.9999 0.0 0
M  V30 8 C 5.1961 -0.5 0.0 0
M  V30 9 C 5.1961 1.4999 0.0 0
M  V30 10 C 4.3301 0.0 0.0 0
M  V30 11 O 5.1961 2.4999 0.0 0
M  V30 12 C 4.3301 0.9999 0.0 0
M  V30 13 C 3.4641 -0.5 0.0 0
M  V30 14 O 3.4641 -1.5 0.0 0
M  V30 15 N 2.598 0.0 0.0 0
M  V30 16 C 1.732 -0.5 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 O 0.866 1.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 F 0.4999 -1.366 0.0 0
M  V30 21 F -0.866 -0.9999 0.0 0
M  V30 22 F -0.4999 0.366 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 1 19 22
M  V30 22 1 6 8
M  V30 23 2 10 12
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000267103178

>  <name>
NA

>  <smiles>
OC(NCC(O)C(F)(F)F)c1cc(=O)[nH]c2cc(F)ccc12

$$$$
ZINC000582250644
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.75 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 C 5.1961 2.25 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 5.1961 3.75 0.0 0
M  V30 9 C 2.598 -0.75 0.0 0
M  V30 10 C 3.8971 4.5 0.0 0
M  V30 11 O 2.598 -2.25 0.0 0
M  V30 12 N 1.299 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 C -1.3703 -0.1398 0.0 0
M  V30 15 C -0.1567 -2.2417 0.0 0
M  V30 16 N -2.374 -1.2546 0.0 0
M  V30 17 C -1.6821 1.3273 0.0 0
M  V30 18 N -1.624 -2.5536 0.0 0
M  V30 19 C -0.6784 2.442 0.0 0
M  V30 20 C -3.0525 1.9374 0.0 0
M  V30 21 C -2.2341 -3.9239 0.0 0
M  V30 22 N -1.4284 3.741 0.0 0
M  V30 23 N -2.8957 3.4292 0.0 0
M  V30 24 C -4.0104 4.4329 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 17 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 6 7
M  V30 25 1 16 18
M  V30 26 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000582250644

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)Nc1cn(C)nc1-c1cnn(C)c1

$$$$
ZINC000796389120
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.1961 2.5 0.0 0
M  V30 2 C 5.1961 2.4999 0.0 0
M  V30 3 F 5.1961 3.4999 0.0 0
M  V30 4 F 6.1961 2.4999 0.0 0
M  V30 5 C 5.1961 1.4999 0.0 0
M  V30 6 C 4.3301 1.0 0.0 0
M  V30 7 C 6.0621 0.9999 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 C 6.0621 0.0 0.0 0
M  V30 10 C 5.1961 -0.5 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 12 O 3.4641 -1.5 0.0 0
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 O 2.598 1.0 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.9135 -0.0932 0.0 0
M  V30 19 C -0.1045 -1.4945 0.0 0
M  V30 20 N -1.5826 -0.8364 0.0 0
M  V30 21 C -1.0826 -1.7024 0.0 0
M  V30 22 C -1.4894 -2.6159 0.0 0
M  V30 23 C -0.9016 -3.4249 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 11 8
M  V30 11 1 11 12 CFG=1
M  V30 12 1 11 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 9 10
M  V30 24 2 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000796389120

>  <name>
NA

>  <smiles>
CCc1cc(CNC(=O)C(O)c2cccc(c2)C(F)(F)F)[nH]n1

$$$$
ZINC001460977566
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 8.37 0.7957 0.0 0
M  V30 2 C 6.9028 0.4838 0.0 0
M  V30 3 C 6.4393 -0.9427 0.0 0
M  V30 4 C 5.8991 1.5985 0.0 0
M  V30 5 C 4.972 -1.2546 0.0 0
M  V30 6 C 4.4319 1.2866 0.0 0
M  V30 7 C 3.9683 -0.1398 0.0 0
M  V30 8 C 4.222 -2.5536 0.0 0
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 2.7548 -2.2417 0.0 0 CFG=1
M  V30 11 C 1.299 0.0 0.0 0
M  V30 12 C 1.6401 -3.2454 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 N -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.2499 0.0 0
M  V30 16 C -2.598 -0.7499 0.0 0
M  V30 17 C -1.299 -2.9999 0.0 0
M  V30 18 N -4.0246 -0.2864 0.0 0
M  V30 19 N -2.598 -2.2499 0.0 0
M  V30 20 O -1.299 -4.4999 0.0 0
M  V30 21 C -4.9063 -1.4999 0.0 0
M  V30 22 N -4.0246 -2.7135 0.0 0
M  V30 23 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 1 10 8
M  V30 10 1 9 11
M  V30 11 1 10 12 CFG=3
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 21 23
M  V30 23 1 6 7
M  V30 24 1 9 10
M  V30 25 1 17 19
M  V30 26 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 10)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001460977566

>  <name>
NA

>  <smiles>
CC1Cc2cc(Cl)ccc2N1Cc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC001412479386
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 0.9999 0.0 0
M  V30 2 C 3.4641 1.4999 0.0 0
M  V30 3 C 2.598 0.9999 0.0 0
M  V30 4 C 3.4641 2.4999 0.0 0
M  V30 5 C 1.732 1.4999 0.0 0
M  V30 6 C 2.598 3.0 0.0 0
M  V30 7 N 1.732 2.4999 0.0 0
M  V30 8 C 0.866 0.9999 0.0 0
M  V30 9 O 0.0 1.5 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C 0.8386 -1.0446 0.0 0
M  V30 13 C -0.9135 -0.0932 0.0 0
M  V30 14 C -0.1045 -1.4945 0.0 0
M  V30 15 C 0.7863 -2.0432 0.0 0
M  V30 16 C 1.7296 -0.5906 0.0 0
M  V30 17 C -1.5826 -0.8364 0.0 0
M  V30 18 C -1.0826 -1.7024 0.0 0
M  V30 19 C 1.625 -2.5879 0.0 0
M  V30 20 C 2.5683 -1.1352 0.0 0
M  V30 21 C 2.516 -2.1339 0.0 0
M  V30 22 O 3.3546 -2.6785 0.0 0
M  V30 23 C 4.2456 -2.2245 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 2 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 13 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 2 16 20
M  V30 20 2 19 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 6 7
M  V30 24 1 17 18
M  V30 25 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001412479386

>  <name>
NA

>  <smiles>
COc1ccc(cc1)C1(CCCC1)NC(=O)c1cc(=O)cc[nH]1

$$$$
ZINC000667725196
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 1.5726 2.5865 0.0 0
M  V30 2 C 0.7339 2.0418 0.0 0
M  V30 3 C 0.7863 1.0432 0.0 0
M  V30 4 C -0.157 2.4958 0.0 0
M  V30 5 C -0.0523 0.4986 0.0 0
M  V30 6 C -0.9956 1.9512 0.0 0
M  V30 7 C -0.9433 0.9526 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.1045 -1.4945 0.0 0
M  V30 11 C -0.9135 -0.0932 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 C -1.0826 -1.7024 0.0 0
M  V30 14 C -1.5826 -0.8364 0.0 0
M  V30 15 O 1.732 -1.5 0.0 0
M  V30 16 N 2.598 0.0 0.0 0
M  V30 17 C 3.4641 -0.5 0.0 0
M  V30 18 C 3.4641 -1.5 0.0 0
M  V30 19 C 4.3301 0.0 0.0 0
M  V30 20 C 4.3301 -2.0 0.0 0
M  V30 21 C 5.1961 -0.5 0.0 0
M  V30 22 C 5.1961 -1.5 0.0 0
M  V30 23 C 4.3301 -3.0 0.0 0
M  V30 24 N 5.1961 -3.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 16 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 6 7
M  V30 25 1 13 14
M  V30 26 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000667725196

>  <name>
NA

>  <smiles>
NCc1cccc(NC(=O)NC2(CCCC2)c2cccc(Cl)c2)c1

$$$$
ZINC001158320119
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 8.3853 3.3901 0.0 0
M  V30 2 C 7.9217 1.9635 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 8.8034 0.75 0.0 0
M  V30 5 C 6.4951 0.0 0.0 0
M  V30 6 C 5.1961 2.25 0.0 0
M  V30 7 C 7.9217 -0.4635 0.0 0
M  V30 8 C 10.2952 0.5932 0.0 0
M  V30 9 C 5.1961 -0.7499 0.0 0
M  V30 10 C 3.8971 1.4999 0.0 0
M  V30 11 C 8.5318 -1.8338 0.0 0
M  V30 12 C 10.9053 -0.7771 0.0 0
M  V30 13 N 3.8971 0.0 0.0 0
M  V30 14 C 10.0236 -1.9906 0.0 0
M  V30 15 C 2.598 -0.75 0.0 0
M  V30 16 O 2.598 -2.25 0.0 0
M  V30 17 C 1.299 0.0 0.0 0
M  V30 18 N 1.299 1.5 0.0 0
M  V30 19 C 0.0 -0.75 0.0 0
M  V30 20 C -1.299 0.0 0.0 0
M  V30 21 C 0.0 -2.2499 0.0 0
M  V30 22 C -2.598 -0.7499 0.0 0
M  V30 23 C -1.299 -2.9999 0.0 0
M  V30 24 C -2.598 -2.2499 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 9 13
M  V30 13 2 11 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 2 22 24
M  V30 24 1 5 7
M  V30 25 1 10 13
M  V30 26 1 12 14
M  V30 27 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001158320119

>  <name>
NA

>  <smiles>
NC(C(=O)N1CCN2C(C1)c1ccccc1C2=O)c1ccccc1

$$$$
ZINC000923757089
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 17 18 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F -3.337 -1.8106 0.0 0
M  V30 2 C -1.8371 -1.8106 0.0 0
M  V30 3 F -2.587 -3.1096 0.0 0
M  V30 4 C -0.3882 -2.1988 0.0 0
M  V30 5 C -1.4488 -0.3617 0.0 0
M  V30 6 C 0.0 -0.75 0.0 0
M  V30 7 N 1.299 0.0 0.0 0
M  V30 8 C 1.19 -1.6631 0.0 0
M  V30 9 C 2.598 -0.75 0.0 0
M  V30 10 O 2.598 -2.25 0.0 0
M  V30 11 N 3.8971 0.0 0.0 0
M  V30 12 C 5.1961 -0.75 0.0 0 CFG=2
M  V30 13 C 5.3529 -2.2417 0.0 0
M  V30 14 C 6.5664 -0.1398 0.0 0
M  V30 15 O 6.8201 -2.5536 0.0 0
M  V30 16 C 7.5701 -1.2546 0.0 0
M  V30 17 O 9.0619 -1.0978 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 4 6
M  V30 6 1 6 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 12 11 CFG=1
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 5 6
M  V30 18 1 15 16
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000923757089

>  <name>
NA

>  <smiles>
CC1(CC(F)(F)C1)NC(=O)NC1COC(=O)C1

$$$$
ZINC001622356360
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 3.4641 1.4999 0.0 0
M  V30 2 C 4.3301 1.0 0.0 0
M  V30 3 C 4.3301 0.0 0.0 0
M  V30 4 C 5.1961 1.5 0.0 0
M  V30 5 C 5.1961 -0.4999 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0
M  V30 7 C 6.0621 1.0 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 O 3.4641 -1.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 Cl 6.9282 1.5 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 O 0.866 1.0 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 N -0.9135 -0.0932 0.0 0
M  V30 17 C -0.1045 -1.4945 0.0 0
M  V30 18 N -1.5826 -0.8364 0.0 0
M  V30 19 N -1.0826 -1.7024 0.0 0
M  V30 20 C -1.4894 -2.6159 0.0 0
M  V30 21 C -2.4229 -2.9743 0.0 0
M  V30 22 C -1.131 -3.5495 0.0 0
M  V30 23 O -3.3365 -2.5676 0.0 0
M  V30 24 C -2.0646 -3.9079 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 2 15 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 21 24
M  V30 24 1 7 8
M  V30 25 1 18 19
M  V30 26 1 22 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001622356360

>  <name>
NA

>  <smiles>
OC(CNC(=O)c1cn(nn1)C1CCC1O)c1ccc(Cl)cc1Cl

$$$$
ZINC000965841065
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.6456 -3.9142 0.0 0
M  V30 2 C 6.7796 -3.4142 0.0 0
M  V30 3 N 6.7796 -2.4142 0.0 0
M  V30 4 C 5.9135 -3.9142 0.0 0
M  V30 5 C 5.9135 -1.9142 0.0 0
M  V30 6 N 5.0 -3.5074 0.0 0
M  V30 7 C 5.809 -4.9087 0.0 0
M  V30 8 C 5.6547 -0.9482 0.0 0
M  V30 9 C 4.9476 -2.173 0.0 0
M  V30 10 C 4.3309 -4.2506 0.0 0
M  V30 11 C 4.8309 -5.1166 0.0 0
M  V30 12 C 4.6888 -1.2071 0.0 0
M  V30 13 C 3.3527 -4.4585 0.0 0
M  V30 14 C 4.1617 -5.8597 0.0 0
M  V30 15 C 4.43 -0.2411 0.0 0
M  V30 16 C 3.7229 -1.4659 0.0 0
M  V30 17 C 3.2482 -5.453 0.0 0
M  V30 18 C 3.4641 -0.5 0.0 0
M  V30 19 N 2.598 0.0 0.0 0
M  V30 20 C 1.732 -0.5 0.0 0
M  V30 21 C 0.866 0.0 0.0 0
M  V30 22 O 0.866 1.0 0.0 0
M  V30 23 N 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 8 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 12 16
M  V30 16 1 13 17
M  V30 17 1 15 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 2 21 22
M  V30 22 1 21 23
M  V30 23 1 9 12
M  V30 24 2 10 11
M  V30 25 1 14 17
M  V30 26 1 16 18
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000965841065

>  <name>
NA

>  <smiles>
NC(=O)CNC1CC2(C1)CC(C2)NC(=O)c1cc2CCCc2[nH]1

$$$$
ZINC001633359175
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 19 20 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 5.1961 1.5 0.0 0
M  V30 2 C 4.3301 1.0 0.0 0
M  V30 3 C 3.4641 1.5 0.0 0
M  V30 4 C 4.3301 0.0 0.0 0
M  V30 5 C 2.598 0.9999 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 O 1.732 1.4999 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 N 1.732 -0.5 0.0 0
M  V30 10 C 0.866 0.0 0.0 0 CFG=1
M  V30 11 O 0.866 1.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 N -0.866 0.0 0.0 0
M  V30 14 C 0.0 -1.4999 0.0 0
M  V30 15 C -1.732 -0.4999 0.0 0
M  V30 16 C -0.866 -1.9999 0.0 0
M  V30 17 O -2.598 0.0 0.0 0
M  V30 18 N -1.732 -1.4999 0.0 0
M  V30 19 O -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 8 9
M  V30 9 1 10 9
M  V30 10 1 10 11 CFG=3
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 2 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 1 6 8
M  V30 20 1 16 18
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 10)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001633359175

>  <name>
NA

>  <smiles>
OC(Nc1ccc(Cl)cc1O)c1cc(=O)[nH]c(=O)[nH]1

$$$$
ZINC000335712654
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 21 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 2.598 1.9999 0.0 0
M  V30 2 C 1.732 1.5 0.0 0
M  V30 3 C 3.4641 1.4999 0.0 0
M  V30 4 C 1.732 0.5 0.0 0
M  V30 5 C 3.4641 0.4999 0.0 0
M  V30 6 C 2.598 0.0 0.0 0
M  V30 7 N 1.732 -0.5 0.0 0
M  V30 8 C 2.598 -1.0 0.0 0
M  V30 9 C 0.866 0.0 0.0 0
M  V30 10 N 2.598 -1.9999 0.0 0
M  V30 11 O 0.866 1.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C -0.866 0.0 0.0 0
M  V30 14 C 0.0 -1.4999 0.0 0
M  V30 15 C -1.732 -0.4999 0.0 0
M  V30 16 C -0.866 -1.9999 0.0 0
M  V30 17 O -2.598 0.0 0.0 0
M  V30 18 N -1.732 -1.4999 0.0 0
M  V30 19 C -0.866 -2.9999 0.0 0
M  V30 20 C 0.0 -3.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 6 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 3 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 19 20
M  V30 20 1 5 6
M  V30 21 1 16 18
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000335712654

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CCSCC1)C#N

$$$$
ZINC001144834592
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 9.5262 0.0 0.0 0
M  V30 2 C 8.6602 -0.5 0.0 0
M  V30 3 C 7.7942 0.0 0.0 0
M  V30 4 C 8.6602 -1.5 0.0 0
M  V30 5 C 6.9282 -0.5 0.0 0
M  V30 6 C 7.7942 -2.0 0.0 0
M  V30 7 C 6.9282 -1.5 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 O 6.0621 0.9999 0.0 0
M  V30 10 C 5.1961 -0.5 0.0 0
M  V30 11 O 5.1961 -1.4999 0.0 0
M  V30 12 N 4.3301 0.0 0.0 0
M  V30 13 C 3.4641 -0.5 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 C 3.4641 -1.5 0.0 0
M  V30 16 O 2.598 1.0 0.0 0
M  V30 17 O 1.732 -0.5 0.0 0
M  V30 18 C 2.598 -2.0 0.0 0
M  V30 19 C 0.866 0.0 0.0 0
M  V30 20 N 2.4935 -2.9945 0.0 0
M  V30 21 C 1.6845 -1.5932 0.0 0
M  V30 22 C 0.0 -0.5 0.0 0
M  V30 23 C 1.5154 -3.2024 0.0 0
M  V30 24 N 1.0154 -2.3364 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 21 24
M  V30 24 1 6 7
M  V30 25 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001144834592

>  <name>
NA

>  <smiles>
CCOC(=O)C(Cc1c[nH]cn1)NC(=O)C(O)c1cccc(Cl)c1

$$$$
ZINC000441359242
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 14.2005 -1.4999 0.0 0
M  V30 2 C 12.7005 -1.4999 0.0 0
M  V30 3 N 11.8188 -0.2864 0.0 0
M  V30 4 N 11.8188 -2.7135 0.0 0
M  V30 5 C 10.3923 -0.7499 0.0 0
M  V30 6 C 12.2824 1.1401 0.0 0
M  V30 7 C 10.3923 -2.2499 0.0 0
M  V30 8 C 12.2824 -4.1401 0.0 0
M  V30 9 C 9.0932 0.0 0.0 0
M  V30 10 C 9.0932 -3.0 0.0 0
M  V30 11 C 7.7942 -0.75 0.0 0
M  V30 12 C 7.7942 -2.2499 0.0 0
M  V30 13 N 6.4951 0.0 0.0 0
M  V30 14 C 5.1961 -0.75 0.0 0
M  V30 15 O 5.1961 -2.25 0.0 0
M  V30 16 C 3.8971 0.0 0.0 0
M  V30 17 O 3.8971 1.5 0.0 0
M  V30 18 N 2.598 -0.75 0.0 0
M  V30 19 C 1.299 0.0 0.0 0
M  V30 20 C 0.0 -0.75 0.0 0
M  V30 21 N -1.3703 -0.1398 0.0 0
M  V30 22 C -0.1567 -2.2417 0.0 0
M  V30 23 C -2.374 -1.2546 0.0 0
M  V30 24 C -1.624 -2.5536 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 2 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 2 5 7
M  V30 25 1 11 12
M  V30 26 2 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000441359242

>  <name>
NA

>  <smiles>
Cn1c2ccc(NC(=O)C(=O)NCc3ccc[nH]3)cc2n(C)c1=O

$$$$
ZINC000922488491
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 17 18 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 7.5701 0.9747 0.0 0
M  V30 2 C 6.5664 -0.1398 0.0 0
M  V30 3 F 6.1029 1.2866 0.0 0
M  V30 4 C 5.1961 -0.75 0.0 0
M  V30 5 C 7.5701 -1.2546 0.0 0
M  V30 6 N 3.8971 0.0 0.0 0
M  V30 7 C 5.3529 -2.2417 0.0 0
M  V30 8 C 6.8201 -2.5536 0.0 0
M  V30 9 C 2.598 -0.75 0.0 0
M  V30 10 O 2.598 -2.25 0.0 0
M  V30 11 N 1.299 0.0 0.0 0
M  V30 12 C 0.0 -0.75 0.0 0
M  V30 13 C -1.3703 -0.1398 0.0 0
M  V30 14 C -0.1567 -2.2417 0.0 0
M  V30 15 O -2.374 -1.2546 0.0 0
M  V30 16 C -1.624 -2.5536 0.0 0
M  V30 17 O -2.2341 -3.9239 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 4 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 7 8
M  V30 18 1 15 16
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000922488491

>  <name>
NA

>  <smiles>
FC1(F)CCCC1NC(=O)NC1COC(=O)C1

$$$$
ZINC000332479097
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 21 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 1.9884 -5.3006 0.0 0
M  V30 2 C 2.119 -4.3091 0.0 0
M  V30 3 N 3.0428 -3.9264 0.0 0
M  V30 4 C 1.3256 -3.7004 0.0 0
M  V30 5 C 3.1734 -2.935 0.0 0
M  V30 6 C 1.4561 -2.7089 0.0 0
M  V30 7 C 2.38 -2.3262 0.0 0
M  V30 8 C 4.0972 -2.5523 0.0 0
M  V30 9 C 0.6628 -2.1002 0.0 0
M  V30 10 C 4.2278 -1.5609 0.0 0
M  V30 11 O -0.261 -2.4828 0.0 0
M  V30 12 N 0.7933 -1.1087 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0
M  V30 14 C -0.9659 -0.2411 0.0 0
M  V30 15 C -0.2588 -1.4659 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C -1.2247 -1.2071 0.0 0
M  V30 18 C 1.732 -0.5 0.0 0
M  V30 19 O 2.598 0.0 0.0 0
M  V30 20 C 3.4641 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 6 7
M  V30 21 1 15 17
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000332479097

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CCOC)CCC1

$$$$
ZINC001645993538
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 9.0932 -3.0 0.0 0
M  V30 2 C 7.7942 -2.25 0.0 0
M  V30 3 C 7.7942 -0.75 0.0 0
M  V30 4 C 6.4952 -3.0 0.0 0
M  V30 5 C 6.4952 0.0 0.0 0
M  V30 6 C 5.1961 -2.25 0.0 0
M  V30 7 N 6.4952 1.5 0.0 0
M  V30 8 C 5.1961 -0.75 0.0 0
M  V30 9 C 5.1961 2.25 0.0 0
M  V30 10 C 3.8971 0.0 0.0 0
M  V30 11 O 5.1961 3.75 0.0 0
M  V30 12 C 3.8971 1.5 0.0 0
M  V30 13 C 2.598 -0.75 0.0 0
M  V30 14 O 2.598 -2.25 0.0 0
M  V30 15 N 1.299 0.0 0.0 0
M  V30 16 C 0.0 -0.75 0.0 0
M  V30 17 C -1.299 0.0 0.0 0
M  V30 18 C 0.0 -2.25 0.0 0
M  V30 19 C -2.598 -0.75 0.0 0
M  V30 20 C -1.299 -3.0 0.0 0
M  V30 21 C -3.8971 -1.5 0.0 0
M  V30 22 C -2.598 -2.25 0.0 0
M  V30 23 F -5.1961 -0.75 0.0 0
M  V30 24 F -5.1961 -2.25 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 19 22
M  V30 22 1 21 23
M  V30 23 1 21 24
M  V30 24 1 6 8
M  V30 25 2 10 12
M  V30 26 1 20 22
M  V30 27 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001645993538

>  <name>
NA

>  <smiles>
OC(NC1CCC2C(C1)C2(F)F)c1cc(=O)[nH]c2cc(F)ccc12

$$$$
ZINC000923755485
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 0.6442 4.8478 0.0 0
M  V30 2 C 1.232 4.0388 0.0 0
M  V30 3 O 2.232 4.0388 0.0 0
M  V30 4 C 0.923 3.0877 0.0 0
M  V30 5 C 2.541 3.0877 0.0 0
M  V30 6 C 1.732 2.4999 0.0 0 CFG=1
M  V30 7 N 1.732 1.4999 0.0 0
M  V30 8 C 0.866 0.9999 0.0 0
M  V30 9 O 0.0 1.5 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C 0.7933 -1.1087 0.0 0
M  V30 13 C -0.9659 -0.2411 0.0 0
M  V30 14 C -0.2588 -1.4659 0.0 0
M  V30 15 C 0.6628 -2.1002 0.0 0
M  V30 16 C 1.7172 -0.726 0.0 0
M  V30 17 C -1.2247 -1.2071 0.0 0
M  V30 18 C 1.4561 -2.7089 0.0 0
M  V30 19 C 2.5105 -1.3348 0.0 0
M  V30 20 C 2.38 -2.3262 0.0 0
M  V30 21 C 1.3256 -3.7004 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 1 6 7 CFG=1
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 13 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 5 6
M  V30 22 1 14 17
M  V30 23 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000923755485

>  <name>
NA

>  <smiles>
Cc1cccc(c1)C1(CCC1)NC(=O)NC1COC(=O)C1

$$$$
ZINC001532705352
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.1836 -1.3848 0.0 0
M  V30 2 C 6.9757 -0.4067 0.0 0
M  V30 3 N 7.6448 0.3364 0.0 0
M  V30 4 C 6.0621 0.0 0.0 0
M  V30 5 C 7.1448 1.2024 0.0 0
M  V30 6 C 5.1961 -0.5 0.0 0
M  V30 7 C 6.1667 0.9945 0.0 0
M  V30 8 O 5.1961 -1.4999 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 3.4641 -1.5 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 C 2.598 -1.9999 0.0 0
M  V30 14 C 4.3301 -2.0 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 O 0.866 1.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 N -0.9135 -0.0932 0.0 0
M  V30 20 C -0.1045 -1.4945 0.0 0
M  V30 21 C -1.5826 -0.8364 0.0 0
M  V30 22 C -1.0826 -1.7024 0.0 0
M  V30 23 C -1.4894 -2.6159 0.0 0
M  V30 24 N -1.8961 -3.5295 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 4 7
M  V30 7 2 6 8
M  V30 8 1 6 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 15 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 2 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 22 23
M  V30 23 3 23 24
M  V30 24 1 5 7
M  V30 25 2 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001532705352

>  <name>
NA

>  <smiles>
CC(C)C(CNC(=O)c1cc(c[nH]1)C#N)NC(=O)C1CCNC1=O

$$$$
ZINC000612416989
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.75 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 C 5.1961 2.25 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 5.1961 3.75 0.0 0
M  V30 9 C 2.598 -0.75 0.0 0
M  V30 10 C 3.8971 4.5 0.0 0
M  V30 11 O 2.598 -2.25 0.0 0
M  V30 12 N 1.299 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 C -0.3882 0.6988 0.0 0
M  V30 15 C -0.7499 -2.049 0.0 0
M  V30 16 C -1.4999 -0.75 0.0 0
M  V30 17 C -1.8371 1.0871 0.0 0
M  V30 18 C 0.6724 1.7595 0.0 0
M  V30 19 C -2.2253 2.536 0.0 0
M  V30 20 C 0.2842 3.2084 0.0 0
M  V30 21 C -3.6742 2.9242 0.0 0
M  V30 22 C -1.1646 3.5966 0.0 0
M  V30 23 N -5.1231 3.3124 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 14 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 19 21
M  V30 21 2 19 22
M  V30 22 3 21 23
M  V30 23 1 6 7
M  V30 24 1 15 16
M  V30 25 1 20 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000612416989

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CC1)c1cccc(c1)C#N

$$$$
ZINC001578398771
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 4.8757 -3.9075 0.0 0
M  V30 2 C 5.2824 -2.994 0.0 0
M  V30 3 C 6.2606 -2.7861 0.0 0
M  V30 4 C 4.7824 -2.128 0.0 0
M  V30 5 N 6.3651 -1.7916 0.0 0
M  V30 6 C 5.4515 -1.3848 0.0 0
M  V30 7 C 5.2436 -0.4067 0.0 0
M  V30 8 N 5.9128 0.3364 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 N 5.4128 1.2024 0.0 0
M  V30 11 C 4.4346 0.9945 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0
M  V30 13 N 3.6915 1.6636 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 C 3.796 2.6581 0.0 0
M  V30 16 C 2.7133 1.4557 0.0 0
M  V30 17 C 1.732 -0.5 0.0 0
M  V30 18 C 2.8824 3.0649 0.0 0 CFG=2
M  V30 19 C 2.2133 2.3217 0.0 0
M  V30 20 O 1.732 -1.5 0.0 0
M  V30 21 N 0.866 0.0 0.0 0
M  V30 22 N 2.6745 4.043 0.0 0
M  V30 23 C 0.866 1.0 0.0 0
M  V30 24 C 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 9 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 18 15
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 17 21
M  V30 21 1 18 22 CFG=3
M  V30 22 1 21 23
M  V30 23 1 21 24
M  V30 24 1 5 6
M  V30 25 2 10 11
M  V30 26 1 18 19
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 18)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001578398771

>  <name>
NA

>  <smiles>
CN(C)C(=O)CCn1c(nnc1-c1cc(Br)c[nH]1)N1CCC(N)C1

$$$$
ZINC001363134947
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.4641 1.4999 0.0 0
M  V30 2 C 4.3301 1.0 0.0 0
M  V30 3 C 4.3301 0.0 0.0 0
M  V30 4 C 5.1961 1.5 0.0 0
M  V30 5 C 5.1961 -0.4999 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0
M  V30 7 C 6.0621 1.0 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 C 2.598 0.0 0.0 0
M  V30 10 F 6.9282 -0.4999 0.0 0
M  V30 11 O 2.598 1.0 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0
M  V30 15 N -0.866 0.0 0.0 0
M  V30 16 C 0.0 -1.4999 0.0 0
M  V30 17 C -1.732 -0.4999 0.0 0
M  V30 18 C -0.866 -1.9999 0.0 0
M  V30 19 O -2.598 0.0 0.0 0
M  V30 20 N -1.732 -1.4999 0.0 0
M  V30 21 O -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 2 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 7 8
M  V30 22 1 18 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001363134947

>  <name>
NA

>  <smiles>
Fc1ccc(F)c(CC(=O)NCc2cc(=O)[nH]c(=O)[nH]2)c1

$$$$
ZINC001331328322
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 9.0932 0.0 0.0 0
M  V30 2 C 7.7942 -0.75 0.0 0
M  V30 3 C 6.4952 0.0 0.0 0
M  V30 4 C 7.7942 -2.25 0.0 0
M  V30 5 C 5.1961 -0.75 0.0 0
M  V30 6 C 6.4952 -3.0 0.0 0
M  V30 7 C 5.1961 -2.25 0.0 0
M  V30 8 C 3.8971 0.0 0.0 0
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 4.6471 1.299 0.0 0
M  V30 11 C 3.1471 1.299 0.0 0
M  V30 12 C 1.299 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 N -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.25 0.0 0
M  V30 16 C -2.598 -0.75 0.0 0
M  V30 17 C -1.299 -3.0 0.0 0
M  V30 18 N -4.0246 -0.2864 0.0 0
M  V30 19 N -2.598 -2.25 0.0 0
M  V30 20 O -1.299 -4.5 0.0 0
M  V30 21 C -4.9063 -1.5 0.0 0
M  V30 22 N -4.0246 -2.7135 0.0 0
M  V30 23 N -6.4063 -1.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 21 23
M  V30 23 1 6 7
M  V30 24 1 17 19
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001331328322

>  <name>
NA

>  <smiles>
CC(C)(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1cccc(F)c1

$$$$
ZINC001362609172
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 19 20 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 4.3301 -3.0 0.0 0
M  V30 2 C 4.3301 -1.9999 0.0 0
M  V30 3 C 5.1961 -3.5 0.0 0
M  V30 4 N 5.1961 -1.5 0.0 0
M  V30 5 N 3.4641 -1.5 0.0 0
M  V30 6 C 5.1961 -0.5 0.0 0
M  V30 7 C 3.4641 -0.5 0.0 0
M  V30 8 O 6.0621 0.0 0.0 0
M  V30 9 C 4.3301 0.0 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 N 1.732 -0.5 0.0 0
M  V30 12 C 0.866 0.0 0.0 0
M  V30 13 O 0.866 1.0 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0
M  V30 15 N -0.9135 -0.0932 0.0 0
M  V30 16 C -0.1045 -1.4945 0.0 0
M  V30 17 C -1.5826 -0.8364 0.0 0
M  V30 18 C -1.0826 -1.7024 0.0 0
M  V30 19 F -1.4894 -2.6159 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 2 6 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 2 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 2 7 9
M  V30 20 2 17 18
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001362609172

>  <name>
NA

>  <smiles>
CSc1nc(=O)cc(CNC(=O)c2cc(F)c[nH]2)[nH]1

$$$$
ZINC001386215920
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 2.4999 0.0 0
M  V30 2 C 6.9282 1.4999 0.0 0
M  V30 3 N 6.0621 0.9999 0.0 0
M  V30 4 C 7.7942 0.9999 0.0 0
M  V30 5 C 6.0621 0.0 0.0 0
M  V30 6 C 7.7942 0.0 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 C 6.9282 -0.5 0.0 0
M  V30 9 O 5.1961 -1.4999 0.0 0
M  V30 10 N 4.3301 0.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 C 2.598 0.0 0.0 0 CFG=1
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 2.598 1.0 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.9135 -0.0932 0.0 0
M  V30 19 C -0.1045 -1.4945 0.0 0
M  V30 20 C -1.5826 -0.8364 0.0 0
M  V30 21 C -1.1214 0.8848 0.0 0
M  V30 22 N -1.0826 -1.7024 0.0 0
M  V30 23 O -2.5771 -0.7318 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 2 7 9
M  V30 9 1 7 10
M  V30 10 1 10 11
M  V30 11 1 12 11
M  V30 12 1 12 13 CFG=1
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 6 8
M  V30 24 1 20 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001386215920

>  <name>
NA

>  <smiles>
CC(CNC(=O)c1cccc(=O)[nH]1)NC(=O)c1c[nH]c(=O)n1C

$$$$
ZINC001362812038
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 6.4952 0.0 0.0 0
M  V30 2 O 7.2452 1.299 0.0 0
M  V30 3 O 5.7452 1.299 0.0 0
M  V30 4 N 5.1961 -0.75 0.0 0
M  V30 5 N 7.7942 -0.75 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0
M  V30 7 C 9.0932 0.0 0.0 0
M  V30 8 C 2.598 -0.75 0.0 0
M  V30 9 O 2.598 -2.25 0.0 0
M  V30 10 N 1.299 0.0 0.0 0
M  V30 11 C 0.0 -0.75 0.0 0 CFG=2
M  V30 12 C 0.0 -2.25 0.0 0
M  V30 13 C -1.299 0.0 0.0 0
M  V30 14 C -1.299 -3.0 0.0 0
M  V30 15 C 1.1147 -3.2537 0.0 0
M  V30 16 C -2.598 -0.75 0.0 0
M  V30 17 N -0.9871 -4.4672 0.0 0
M  V30 18 C -2.598 -2.25 0.0 0
M  V30 19 N 0.5046 -4.624 0.0 0
M  V30 20 C -1.9908 -5.5819 0.0 0
M  V30 21 C -3.458 -5.27 0.0 0
M  V30 22 O -4.4617 -6.3848 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 2 1 3
M  V30 3 1 1 4
M  V30 4 1 1 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 11 10 CFG=3
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 14 18
M  V30 18 2 15 19
M  V30 19 1 17 20
M  V30 20 1 20 21
M  V30 21 1 21 22
M  V30 22 1 16 18
M  V30 23 1 17 19
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001362812038

>  <name>
NA

>  <smiles>
CNS(=O)(=O)NCC(=O)NC1CCCc2c1cnn2CCO

$$$$
ZINC001362601911
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.5855 0.8848 0.0 0
M  V30 2 C 4.3776 -0.0932 0.0 0
M  V30 3 N 3.4641 -0.5 0.0 0
M  V30 4 N 5.0467 -0.8364 0.0 0
M  V30 5 C 3.5686 -1.4945 0.0 0
M  V30 6 C 2.598 0.0 0.0 0
M  V30 7 N 4.5467 -1.7024 0.0 0
M  V30 8 O 2.8254 -2.1636 0.0 0
M  V30 9 C 1.732 -0.5 0.0 0
M  V30 10 O 1.732 -1.5 0.0 0
M  V30 11 N 0.866 0.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0 CFG=2
M  V30 13 C 0.0 -1.5 0.0 0
M  V30 14 C -0.866 0.0 0.0 0
M  V30 15 C -0.866 -1.9999 0.0 0
M  V30 16 C 0.7431 -2.1691 0.0 0
M  V30 17 C -1.732 -0.4999 0.0 0
M  V30 18 N -0.6581 -2.9781 0.0 0
M  V30 19 C -1.732 -1.4999 0.0 0
M  V30 20 N 0.3364 -3.0826 0.0 0
M  V30 21 C -1.3272 -3.7212 0.0 0
M  V30 22 C -2.3053 -3.5133 0.0 0
M  V30 23 O -2.9745 -4.2565 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 12 11 CFG=3
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 2 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 15 19
M  V30 19 2 16 20
M  V30 20 1 18 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 5 7
M  V30 24 1 17 19
M  V30 25 1 18 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001362601911

>  <name>
NA

>  <smiles>
OCCn1ncc2C(CCCc12)NC(=O)Cn1c(=O)[nH][nH]c1=O

$$$$
ZINC001329490298
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.4952 1.5 0.0 0
M  V30 2 C 6.4952 0.0 0.0 0
M  V30 3 C 5.1961 -0.75 0.0 0
M  V30 4 C 7.7942 -0.75 0.0 0
M  V30 5 C 5.1961 -2.25 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0
M  V30 7 C 7.7942 -2.25 0.0 0
M  V30 8 C 6.4952 -3.0 0.0 0
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 4.6471 1.299 0.0 0
M  V30 11 C 3.1471 1.299 0.0 0
M  V30 12 C 1.299 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 N -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.25 0.0 0
M  V30 16 C -2.598 -0.75 0.0 0
M  V30 17 C -1.299 -3.0 0.0 0
M  V30 18 N -4.0246 -0.2864 0.0 0
M  V30 19 N -2.598 -2.25 0.0 0
M  V30 20 O -1.299 -4.5 0.0 0
M  V30 21 C -4.9063 -1.5 0.0 0
M  V30 22 N -4.0246 -2.7135 0.0 0
M  V30 23 N -6.4063 -1.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 6 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 21 23
M  V30 23 1 7 8
M  V30 24 1 17 19
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001329490298

>  <name>
NA

>  <smiles>
CC(C)(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccccc1F

$$$$
ZINC001433874330
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 0.9999 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 O 5.1961 -0.5 0.0 0
M  V30 4 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 5 C 6.0621 0.0 0.0 0
M  V30 6 N 2.598 0.0 0.0 0
M  V30 7 C 3.4641 -1.5 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 C 4.3301 -2.0 0.0 0
M  V30 10 O 1.732 -1.5 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 N 4.4346 -2.9945 0.0 0
M  V30 13 C 5.2436 -1.5932 0.0 0
M  V30 14 N 0.0 -0.5 0.0 0
M  V30 15 C 5.4128 -3.2024 0.0 0
M  V30 16 N 5.9128 -2.3364 0.0 0
M  V30 17 C -0.866 0.0 0.0 0
M  V30 18 C 0.0 -1.4999 0.0 0
M  V30 19 C -1.732 -0.4999 0.0 0
M  V30 20 C -0.866 -1.9999 0.0 0
M  V30 21 C -1.732 -1.4999 0.0 0
M  V30 22 C -2.598 -1.9999 0.0 0
M  V30 23 O -2.598 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 4 2
M  V30 4 1 3 5
M  V30 5 1 4 6 CFG=3
M  V30 6 1 4 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 2 9 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 14 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 15 16
M  V30 24 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 4)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001433874330

>  <name>
NA

>  <smiles>
COC(=O)C(Cc1c[nH]cn1)NC(=O)CN1CCC(CO)CC1

$$$$
ZINC001698634564
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.3301 0.0 0.0 0
M  V30 2 C 3.4641 -0.5 0.0 0
M  V30 3 C 2.598 0.0 0.0 0
M  V30 4 N 1.732 -0.5 0.0 0
M  V30 5 C 0.866 0.0 0.0 0
M  V30 6 C 0.0 -0.5 0.0 0
M  V30 7 N 0.8386 -1.0446 0.0 0
M  V30 8 C -0.9135 -0.0932 0.0 0
M  V30 9 C -0.1045 -1.4945 0.0 0
M  V30 10 C 0.7863 -2.0432 0.0 0 CFG=1
M  V30 11 C -1.5826 -0.8364 0.0 0
M  V30 12 C -1.0826 -1.7024 0.0 0
M  V30 13 O -0.1046 -2.4972 0.0 0
M  V30 14 C 1.625 -2.5879 0.0 0
M  V30 15 C 1.5726 -3.5865 0.0 0
M  V30 16 C 2.516 -2.1339 0.0 0
M  V30 17 C 2.4113 -4.1311 0.0 0
M  V30 18 C 3.3546 -2.6785 0.0 0
M  V30 19 O 2.359 -5.1298 0.0 0
M  V30 20 N 3.3023 -3.6771 0.0 0
M  V30 21 O 4.2456 -2.2245 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 5 6
M  V30 6 1 6 7
M  V30 7 1 6 8
M  V30 8 1 6 9
M  V30 9 1 10 7
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13 CFG=3
M  V30 13 1 10 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 11 12
M  V30 22 1 18 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 10)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001698634564

>  <name>
NA

>  <smiles>
OC(NC1(CNCCF)CCCC1)c1cc(O)[nH]c(=O)c1

$$$$
ZINC001399477859
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.0621 0.0 0.0 0
M  V30 2 C 5.1961 -0.5 0.0 0
M  V30 3 N 4.3301 0.0 0.0 0
M  V30 4 C 5.1961 -1.4999 0.0 0
M  V30 5 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 6 N 4.3871 -2.0877 0.0 0
M  V30 7 N 6.0051 -2.0877 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 C 3.4641 -1.5 0.0 0
M  V30 10 N 4.6961 -3.0388 0.0 0
M  V30 11 C 5.6961 -3.0388 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 -2.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 1.732 -1.4999 0.0 0
M  V30 16 C 2.598 -3.0 0.0 0
M  V30 17 O 0.866 1.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 N -0.9135 -0.0932 0.0 0
M  V30 20 C -0.1045 -1.4945 0.0 0
M  V30 21 C -1.5826 -0.8364 0.0 0
M  V30 22 C -1.0826 -1.7024 0.0 0
M  V30 23 C -1.4894 -2.6159 0.0 0
M  V30 24 N -1.8961 -3.5295 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 3 CFG=1
M  V30 5 2 4 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 2 7 11
M  V30 11 1 8 12
M  V30 12 1 9 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 14 18
M  V30 18 1 18 19
M  V30 19 2 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 22 23
M  V30 23 3 23 24
M  V30 24 1 10 11
M  V30 25 2 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001399477859

>  <name>
NA

>  <smiles>
CC(C)CC(CNC(=O)c1cc(c[nH]1)C#N)NC(=O)c1nc[nH]n1

$$$$
ZINC001363228598
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.7499 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 N 7.6099 2.5036 0.0 0
M  V30 6 C 5.1961 2.25 0.0 0
M  V30 7 C 3.8971 0.0 0.0 0
M  V30 8 C 6.9998 3.874 0.0 0
M  V30 9 N 5.508 3.7172 0.0 0
M  V30 10 N 3.8971 1.5 0.0 0
M  V30 11 C 2.598 -0.75 0.0 0
M  V30 12 N 7.7498 5.173 0.0 0
M  V30 13 N 1.299 0.0 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 C -1.3703 -0.1398 0.0 0
M  V30 16 C -0.1567 -2.2417 0.0 0
M  V30 17 C -2.374 -1.2546 0.0 0
M  V30 18 C -1.6821 1.3273 0.0 0
M  V30 19 C -1.624 -2.5536 0.0 0
M  V30 20 C -0.5674 2.331 0.0 0
M  V30 21 O -0.8793 3.7982 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 1 7 10
M  V30 22 1 8 9
M  V30 23 1 17 19
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001363228598

>  <name>
NA

>  <smiles>
OCCC1CCCC1NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC001531128866
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 7.6448 0.3364 0.0 0
M  V30 2 C 7.1448 1.2024 0.0 0
M  V30 3 C 6.9757 -0.4067 0.0 0
M  V30 4 O 7.5515 2.1159 0.0 0
M  V30 5 N 6.1667 0.9945 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 O 5.1961 -1.4999 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 C 3.4641 -1.5 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 4.3301 -2.0 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 O -2.598 0.0 0.0 0
M  V30 23 C -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 10 9 CFG=1
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 5 6
M  V30 24 2 21 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 10)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001531128866

>  <name>
NA

>  <smiles>
CCC(CNC(=O)c1cccc(=O)[nH]1)NC(=O)c1csc(=O)[nH]1

$$$$
ZINC000189488212
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.4641 -1.4999 0.0 0
M  V30 2 C 3.4641 -0.4999 0.0 0
M  V30 3 N 4.3301 0.0 0.0 0
M  V30 4 C 2.598 0.0 0.0 0
M  V30 5 C 4.3301 1.0 0.0 0
M  V30 6 N 1.732 -0.5 0.0 0
M  V30 7 C 2.598 1.0 0.0 0
M  V30 8 F 5.1961 1.5 0.0 0
M  V30 9 C 3.4641 1.5 0.0 0
M  V30 10 C 0.866 0.0 0.0 0 CFG=1
M  V30 11 O 0.866 1.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C -0.866 0.0 0.0 0
M  V30 14 C 0.0 -1.4999 0.0 0
M  V30 15 C -1.732 -0.4999 0.0 0
M  V30 16 C -0.866 1.0 0.0 0
M  V30 17 C -0.866 -1.9999 0.0 0
M  V30 18 N -1.732 -1.4999 0.0 0
M  V30 19 C -2.598 0.0 0.0 0
M  V30 20 C -1.732 1.5 0.0 0
M  V30 21 O -0.866 -2.9999 0.0 0
M  V30 22 C -2.598 1.0 0.0 0
M  V30 23 F -3.4641 1.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 5 9
M  V30 9 1 10 6
M  V30 10 1 10 11 CFG=3
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 2 12 14
M  V30 14 2 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 15 19
M  V30 19 2 16 20
M  V30 20 2 17 21
M  V30 21 2 19 22
M  V30 22 1 22 23
M  V30 23 1 7 9
M  V30 24 1 17 18
M  V30 25 1 20 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 10)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000189488212

>  <name>
NA

>  <smiles>
OC(Nc1ccc(F)nc1F)c1cc(=O)[nH]c2cc(F)ccc12

$$$$
ZINC000334479458
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 18 19 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 5.1961 1.5 0.0 0
M  V30 2 C 4.3301 1.0 0.0 0
M  V30 3 C 3.4641 1.5 0.0 0
M  V30 4 C 4.3301 0.0 0.0 0
M  V30 5 C 2.598 0.9999 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 O 1.732 1.4999 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 N 1.732 -0.5 0.0 0
M  V30 10 C 0.866 0.0 0.0 0
M  V30 11 O 0.866 1.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0 CFG=2
M  V30 13 C -0.866 0.0 0.0 0
M  V30 14 C 0.0 -1.4999 0.0 0
M  V30 15 C -1.732 -0.4999 0.0 0
M  V30 16 C -0.866 -1.9999 0.0 0
M  V30 17 O -2.598 0.0 0.0 0
M  V30 18 N -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 12 10 CFG=1
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 6 8
M  V30 19 1 16 18
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000334479458

>  <name>
NA

>  <smiles>
Oc1cc(F)ccc1NC(=O)C1CCNC(=O)C1

$$$$
ZINC001646008641
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 1.732 -0.5 0.0 0
M  V30 2 C 0.866 0.0 0.0 0
M  V30 3 F 0.866 1.0 0.0 0
M  V30 4 C 0.0 -0.5 0.0 0
M  V30 5 O -0.866 0.0 0.0 0
M  V30 6 C 0.0 -1.4999 0.0 0
M  V30 7 C 0.866 -1.0 0.0 0
M  V30 8 C -1.732 -0.4999 0.0 0
M  V30 9 N -0.866 -1.9999 0.0 0
M  V30 10 C -1.732 -1.4999 0.0 0
M  V30 11 C -2.598 0.0 0.0 0
M  V30 12 C -0.866 -2.9999 0.0 0
M  V30 13 C 0.0 -3.4999 0.0 0
M  V30 14 N 0.0 -4.4999 0.0 0
M  V30 15 C 0.866 -2.9999 0.0 0
M  V30 16 C 0.866 -5.0 0.0 0
M  V30 17 C 1.732 -3.4999 0.0 0
M  V30 18 N 1.0739 -5.9781 0.0 0
M  V30 19 N 1.732 -4.4999 0.0 0
M  V30 20 O 2.598 -3.0 0.0 0
M  V30 21 C 2.0684 -6.0826 0.0 0
M  V30 22 N 2.4751 -5.1691 0.0 0
M  V30 23 N 2.5684 -6.9487 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 4 5
M  V30 5 1 4 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 21 23
M  V30 23 1 9 10
M  V30 24 1 17 19
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001646008641

>  <name>
NA

>  <smiles>
CC1CN(Cc2cc(=O)n3[nH]c(=N)nc3[nH]2)CC(C)(O1)C(F)F

$$$$
ZINC000349698052
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.8971 10.5 0.0 0
M  V30 2 C 3.8971 9.0 0.0 0
M  V30 3 N 2.598 8.25 0.0 0
M  V30 4 C 5.1961 8.25 0.0 0
M  V30 5 C 2.598 6.75 0.0 0
M  V30 6 C 5.1961 6.75 0.0 0
M  V30 7 C 3.8971 6.0 0.0 0 CFG=2
M  V30 8 N 3.8971 4.5 0.0 0
M  V30 9 C 5.1961 3.75 0.0 0
M  V30 10 O 6.4952 4.5 0.0 0
M  V30 11 N 5.1961 2.25 0.0 0
M  V30 12 C 6.4952 1.5 0.0 0
M  V30 13 C 6.4952 0.0 0.0 0
M  V30 14 C 7.7942 2.25 0.0 0
M  V30 15 C 7.7942 -0.75 0.0 0
M  V30 16 C 5.1961 -0.75 0.0 0
M  V30 17 C 9.0932 1.5 0.0 0
M  V30 18 C 9.0932 0.0 0.0 0
M  V30 19 O 3.8971 0.0 0.0 0
M  V30 20 C 2.598 -0.75 0.0 0
M  V30 21 C 1.299 0.0 0.0 0
M  V30 22 C 1.848 -2.049 0.0 0
M  V30 23 C 3.348 -2.049 0.0 0
M  V30 24 C 0.0 -0.75 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 7 5
M  V30 7 1 7 8 CFG=3
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 2 15 18
M  V30 18 1 16 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 1 20 23
M  V30 23 1 21 24
M  V30 24 1 6 7
M  V30 25 1 17 18
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 7)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000349698052

>  <name>
NA

>  <smiles>
CCC(C)(C)OCc1ccccc1NC(=O)NC1CCC(=O)NC1

$$$$
ZINC001188217008
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 1.732 -0.5 0.0 0
M  V30 2 C 2.598 0.0 0.0 0
M  V30 3 C 0.866 0.0 0.0 0
M  V30 4 N 3.4641 -0.4999 0.0 0
M  V30 5 N 2.598 0.9999 0.0 0
M  V30 6 C 0.0 -0.5 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 3.4641 1.5 0.0 0
M  V30 9 C 1.732 1.4999 0.0 0
M  V30 10 C -0.866 0.0 0.0 0
M  V30 11 C 0.0 -1.4999 0.0 0
M  V30 12 C 4.3301 1.0 0.0 0
M  V30 13 C 5.1961 -0.4999 0.0 0
M  V30 14 O 3.4641 2.5 0.0 0
M  V30 15 C 0.866 0.9999 0.0 0
M  V30 16 F -0.866 1.0 0.0 0
M  V30 17 C -1.732 -0.4999 0.0 0
M  V30 18 C -0.866 -1.9999 0.0 0
M  V30 19 C 5.1961 1.5 0.0 0
M  V30 20 C 6.0621 0.0 0.0 0
M  V30 21 C -1.732 -1.4999 0.0 0
M  V30 22 C -0.866 -2.9999 0.0 0
M  V30 23 C 6.0621 1.0 0.0 0
M  V30 24 O 0.0 -3.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 2 6 10
M  V30 10 1 6 11
M  V30 11 2 7 12
M  V30 12 1 7 13
M  V30 13 2 8 14
M  V30 14 1 9 15
M  V30 15 1 10 16
M  V30 16 1 10 17
M  V30 17 2 11 18
M  V30 18 1 12 19
M  V30 19 2 13 20
M  V30 20 2 17 21
M  V30 21 1 18 22
M  V30 22 2 19 23
M  V30 23 1 22 24
M  V30 24 1 8 12
M  V30 25 1 18 21
M  V30 26 1 20 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001188217008

>  <name>
NA

>  <smiles>
CCn1c(SCc2cc(CO)ccc2F)nc2ccccc2c1=O

$$$$
ZINC001174841177
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 12.841 0.3364 0.0 0
M  V30 2 C 12.341 1.2024 0.0 0
M  V30 3 C 12.1718 -0.4067 0.0 0
M  V30 4 O 12.7477 2.1159 0.0 0
M  V30 5 N 11.3628 0.9945 0.0 0
M  V30 6 C 11.2583 0.0 0.0 0
M  V30 7 C 10.3923 -0.5 0.0 0
M  V30 8 O 10.3923 -1.5 0.0 0
M  V30 9 N 9.5262 0.0 0.0 0
M  V30 10 C 8.6602 -0.5 0.0 0 CFG=2
M  V30 11 C 7.7942 0.0 0.0 0
M  V30 12 C 8.6602 -1.4999 0.0 0
M  V30 13 C 6.9282 -0.5 0.0 0
M  V30 14 C 6.0621 0.0 0.0 0
M  V30 15 C 5.1961 -0.5 0.0 0
M  V30 16 N 4.3301 0.0 0.0 0
M  V30 17 C 3.4641 -0.5 0.0 0
M  V30 18 C 2.598 0.0 0.0 0
M  V30 19 O 2.598 1.0 0.0 0
M  V30 20 N 1.732 -0.5 0.0 0
M  V30 21 C 0.866 0.0 0.0 0
M  V30 22 O 0.866 1.0 0.0 0
M  V30 23 N 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 10 9 CFG=1
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 2 21 22
M  V30 22 1 21 23
M  V30 23 1 5 6
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 10)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001174841177

>  <name>
NA

>  <smiles>
CC(CCCCNCC(=O)NC(N)=O)NC(=O)c1csc(=O)[nH]1

$$$$
ZINC001141823321
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 10.3761 -2.9418 0.0 0
M  V30 2 C 8.9089 -3.2536 0.0 0
M  V30 3 N 7.7942 -2.2499 0.0 0
M  V30 4 C 8.2988 -4.624 0.0 0
M  V30 5 C 6.4951 -2.9999 0.0 0 CFG=2
M  V30 6 C 7.7942 -0.7499 0.0 0
M  V30 7 C 6.807 -4.4672 0.0 0
M  V30 8 C 8.9089 -5.9943 0.0 0
M  V30 9 C 5.1961 -2.25 0.0 0
M  V30 10 C 6.4951 0.0 0.0 0
M  V30 11 C 5.9253 -5.6807 0.0 0
M  V30 12 C 8.0272 -7.2078 0.0 0
M  V30 13 N 5.1961 -0.75 0.0 0
M  V30 14 C 6.5354 -7.051 0.0 0
M  V30 15 C 3.8971 0.0 0.0 0
M  V30 16 O 3.8971 1.5 0.0 0
M  V30 17 C 2.598 -0.75 0.0 0
M  V30 18 C 1.299 0.0 0.0 0
M  V30 19 N 0.0 -0.75 0.0 0
M  V30 20 N -1.3703 -0.1398 0.0 0
M  V30 21 C -0.1567 -2.2417 0.0 0
M  V30 22 C -2.374 -1.2546 0.0 0
M  V30 23 C -1.624 -2.5536 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 3 CFG=3
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 9 13
M  V30 13 2 11 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 2 21 23
M  V30 23 1 5 7
M  V30 24 1 10 13
M  V30 25 1 12 14
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001141823321

>  <name>
NA

>  <smiles>
O=C(CCn1cccn1)N1CCN2C(C1)c1ccccc1C2=O

$$$$
ZINC001459706053
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 5.9461 0.549 0.0 0
M  V30 2 C 5.1961 -0.75 0.0 0
M  V30 3 F 6.4951 -1.5 0.0 0
M  V30 4 F 4.4461 -2.049 0.0 0
M  V30 5 C 3.8971 0.0 0.0 0 CFG=2
M  V30 6 N 2.598 -0.75 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 1.299 0.0 0.0 0
M  V30 9 C 5.1961 2.25 0.0 0
M  V30 10 C 2.598 2.2499 0.0 0
M  V30 11 C 0.0 -0.75 0.0 0
M  V30 12 C 5.1961 3.75 0.0 0
M  V30 13 C 2.598 3.75 0.0 0
M  V30 14 N -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.2499 0.0 0
M  V30 16 C 3.8971 4.5 0.0 0
M  V30 17 C -2.598 -0.7499 0.0 0
M  V30 18 C -1.299 -2.9999 0.0 0
M  V30 19 N -4.0246 -0.2864 0.0 0
M  V30 20 N -2.598 -2.2499 0.0 0
M  V30 21 O -1.299 -4.4999 0.0 0
M  V30 22 C -4.9063 -1.4999 0.0 0
M  V30 23 N -4.0246 -2.7135 0.0 0
M  V30 24 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 2
M  V30 5 1 5 6 CFG=3
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 1 7 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 2 10 13
M  V30 13 1 11 14
M  V30 14 2 11 15
M  V30 15 2 12 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 22 24
M  V30 24 1 13 16
M  V30 25 1 18 20
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001459706053

>  <name>
NA

>  <smiles>
FC(F)(F)C(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccccc1

$$$$
ZINC000446094065
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 0.866 2.9999 0.0 0
M  V30 2 C 1.732 2.4999 0.0 0
M  V30 3 C 2.598 2.9999 0.0 0
M  V30 4 C 1.732 1.4999 0.0 0
M  V30 5 O 2.598 3.9999 0.0 0
M  V30 6 N 3.4641 2.4999 0.0 0
M  V30 7 C 0.866 0.9999 0.0 0
M  V30 8 C 2.598 0.9999 0.0 0
M  V30 9 C 3.4641 1.4999 0.0 0
M  V30 10 O 0.0 1.5 0.0 0
M  V30 11 N 0.866 0.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C 0.8386 -1.0446 0.0 0
M  V30 14 C -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 C 0.7863 -2.0432 0.0 0
M  V30 17 C 1.7296 -0.5906 0.0 0
M  V30 18 C -1.5826 -0.8364 0.0 0
M  V30 19 C -1.0826 -1.7024 0.0 0
M  V30 20 C 1.625 -2.5879 0.0 0
M  V30 21 C 2.5683 -1.1352 0.0 0
M  V30 22 C 2.516 -2.1339 0.0 0
M  V30 23 O 3.3546 -2.6785 0.0 0
M  V30 24 C 4.2456 -2.2245 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 2 4
M  V30 4 2 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 6 9
M  V30 9 2 7 10
M  V30 10 1 7 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 2 17 21
M  V30 21 2 20 22
M  V30 22 1 22 23
M  V30 23 1 23 24
M  V30 24 2 8 9
M  V30 25 1 18 19
M  V30 26 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000446094065

>  <name>
NA

>  <smiles>
COc1ccc(cc1)C1(CCCC1)NC(=O)c1cc[nH]c(=O)c1Br

$$$$
ZINC001351140161
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -3.0 0.0 0
M  V30 2 C 2.598 -1.9999 0.0 0
M  V30 3 N 3.4641 -1.4999 0.0 0
M  V30 4 C 1.732 -1.4999 0.0 0
M  V30 5 N 4.4151 -1.809 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 C 5.0029 -0.9999 0.0 0
M  V30 9 N 4.4151 -0.1909 0.0 0
M  V30 10 N 2.598 0.0 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 N 6.0029 -0.9999 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C 0.0747 -1.4972 0.0 0
M  V30 15 C -0.8262 0.0633 0.0 0
M  V30 16 C -0.6583 -2.1773 0.0 0
M  V30 17 C -1.7818 -0.2314 0.0 0
M  V30 18 C -1.6471 -2.0283 0.0 0
M  V30 19 C -0.2929 -3.1082 0.0 0
M  V30 20 O -2.1471 -1.1623 0.0 0
M  V30 21 C -2.2706 -2.8101 0.0 0
M  V30 22 C -0.9164 -3.89 0.0 0
M  V30 23 C -1.9053 -3.741 0.0 0
M  V30 24 O -0.5511 -4.8209 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 2 21 23
M  V30 23 1 22 24
M  V30 24 1 7 10
M  V30 25 1 8 9
M  V30 26 1 18 20
M  V30 27 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001351140161

>  <name>
NA

>  <smiles>
Oc1ccc2OCCN(Cc3cc(=O)n4[nH]c(=N)nc4[nH]3)Cc2c1

$$$$
ZINC001390642506
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 8.6393 0.2318 0.0 0
M  V30 2 C 7.6448 0.3364 0.0 0
M  V30 3 C 7.1448 1.2024 0.0 0
M  V30 4 C 6.9757 -0.4067 0.0 0
M  V30 5 N 6.1667 0.9945 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 O 5.1961 -1.4999 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 C 3.4641 -1.5 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 4.3301 -2.0 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.9135 -0.0932 0.0 0
M  V30 19 C -0.1045 -1.4945 0.0 0
M  V30 20 C -1.5826 -0.8364 0.0 0
M  V30 21 N -1.0826 -1.7024 0.0 0
M  V30 22 O -2.5771 -0.7318 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 5 6
M  V30 23 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001390642506

>  <name>
NA

>  <smiles>
CCC(CNC(O)c1c[nH]c(=O)[nH]1)NC(=O)c1cc(F)c[nH]1

$$$$
ZINC000238900583
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 1.0 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 N 3.4641 -0.5 0.0 0
M  V30 4 N 5.1961 -0.4999 0.0 0
M  V30 5 C 3.4641 -1.5 0.0 0
M  V30 6 C 2.598 0.0 0.0 0
M  V30 7 C 5.1961 -1.4999 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 O 2.598 -2.0 0.0 0
M  V30 10 C 4.3301 -1.9999 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0 CFG=2
M  V30 12 N 5.9392 -2.1691 0.0 0
M  V30 13 N 4.538 -2.9781 0.0 0
M  V30 14 O 1.732 -1.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 C 5.5325 -3.0826 0.0 0
M  V30 17 C 4.1313 -3.8916 0.0 0
M  V30 18 O 0.0 -0.5 0.0 0
M  V30 19 N 5.7404 -4.0608 0.0 0
M  V30 20 C 4.8744 -4.5608 0.0 0
M  V30 21 C 6.654 -4.4675 0.0 0
M  V30 22 C 4.7699 -5.5553 0.0 0
M  V30 23 C 6.7585 -5.462 0.0 0
M  V30 24 O 7.672 -5.8688 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 2 5 9
M  V30 9 1 5 10
M  V30 10 1 11 6
M  V30 11 1 7 12
M  V30 12 1 10 13
M  V30 13 1 11 14 CFG=3
M  V30 14 1 11 15
M  V30 15 2 12 16
M  V30 16 1 13 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 23 24
M  V30 24 2 7 10
M  V30 25 1 13 16
M  V30 26 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000238900583

>  <name>
NA

>  <smiles>
Cc1cn2c(nc3n(C)c(=O)n(CC(O)CO)c(=O)c23)n1CCO

$$$$
ZINC000781971444
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 10.3923 2.25 0.0 0
M  V30 2 C 11.6913 1.5 0.0 0
M  V30 3 C 11.6913 0.0 0.0 0
M  V30 4 C 12.9903 2.25 0.0 0
M  V30 5 C 12.9903 -0.75 0.0 0
M  V30 6 C 10.3923 -0.75 0.0 0
M  V30 7 C 14.2894 1.5 0.0 0
M  V30 8 C 14.2894 0.0 0.0 0
M  V30 9 O 10.3923 -2.25 0.0 0
M  V30 10 C 9.0932 0.0 0.0 0
M  V30 11 Cl 15.5884 2.25 0.0 0
M  V30 12 N 7.7942 -0.75 0.0 0
M  V30 13 C 6.4951 0.0 0.0 0
M  V30 14 O 6.4951 1.5 0.0 0
M  V30 15 C 5.1961 -0.75 0.0 0
M  V30 16 O 5.1961 -2.25 0.0 0
M  V30 17 N 3.8971 0.0 0.0 0
M  V30 18 C 2.598 -0.75 0.0 0
M  V30 19 C 1.299 0.0 0.0 0
M  V30 20 S 1.299 1.5 0.0 0
M  V30 21 C 0.0 -0.75 0.0 0
M  V30 22 O 2.799 1.5 0.0 0
M  V30 23 O -0.2009 1.5 0.0 0
M  V30 24 N 1.299 3.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 2 20 23
M  V30 23 1 20 24
M  V30 24 1 7 8
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000781971444

>  <name>
NA

>  <smiles>
CC(CNC(=O)C(=O)NCC(O)c1ccc(Cl)cc1Cl)S(N)(=O)=O

$$$$
ZINC000362872570
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.8301 -4.1339 0.0 0
M  V30 2 C 4.3301 -4.9999 0.0 0
M  V30 3 F 5.1961 -5.4999 0.0 0
M  V30 4 F 3.8301 -5.866 0.0 0
M  V30 5 C 3.4641 -4.5 0.0 0
M  V30 6 C 3.4641 -3.5 0.0 0
M  V30 7 C 2.598 -5.0 0.0 0
M  V30 8 C 2.598 -3.0 0.0 0
M  V30 9 C 1.732 -4.4999 0.0 0
M  V30 10 C 1.732 -3.5 0.0 0
M  V30 11 C 2.598 -2.0 0.0 0
M  V30 12 O 3.4641 -1.5 0.0 0
M  V30 13 C 1.732 -1.5 0.0 0
M  V30 14 C 3.4641 -0.5 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 2.598 0.0 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 O 0.866 1.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 C -0.9135 -0.0932 0.0 0
M  V30 21 C -0.1045 -1.4945 0.0 0
M  V30 22 C -1.5826 -0.8364 0.0 0
M  V30 23 C -1.0826 -1.7024 0.0 0
M  V30 24 O -2.5771 -0.7318 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 9 10
M  V30 25 1 15 16
M  V30 26 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000362872570

>  <name>
NA

>  <smiles>
OC1CCC(C1)C(=O)N1CCOC(C1)c1cccc(c1)C(F)(F)F

$$$$
ZINC000910396388
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.2942 3.75 0.0 0
M  V30 2 C 7.7942 3.75 0.0 0
M  V30 3 F 7.7942 5.25 0.0 0
M  V30 4 F 9.2942 3.75 0.0 0
M  V30 5 C 7.7942 2.25 0.0 0
M  V30 6 C 6.4952 1.5 0.0 0
M  V30 7 C 9.0932 1.5 0.0 0
M  V30 8 C 6.4952 0.0 0.0 0
M  V30 9 C 9.0932 0.0 0.0 0
M  V30 10 C 7.7942 -0.75 0.0 0
M  V30 11 C 5.1961 -0.75 0.0 0 CFG=1
M  V30 12 O 4.4461 -2.049 0.0 0
M  V30 13 C 3.8971 0.0 0.0 0
M  V30 14 C 5.9461 -2.049 0.0 0
M  V30 15 O 3.8971 1.5 0.0 0
M  V30 16 N 2.598 -0.75 0.0 0
M  V30 17 C 1.299 0.0 0.0 0
M  V30 18 C 0.0 -0.75 0.0 0
M  V30 19 N -1.299 0.0 0.0 0
M  V30 20 C 0.0 -2.25 0.0 0
M  V30 21 C -2.598 -0.75 0.0 0
M  V30 22 C -1.299 -3.0 0.0 0
M  V30 23 C -2.598 -2.25 0.0 0
M  V30 24 O -1.299 -4.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 11 8
M  V30 11 1 11 12 CFG=1
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 13 15
M  V30 15 1 13 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 2 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 2 22 24
M  V30 24 1 9 10
M  V30 25 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000910396388

>  <name>
NA

>  <smiles>
CC(O)(C(=O)NCc1cc(=O)cc[nH]1)c1cccc(c1)C(F)(F)F

$$$$
ZINC001364374829
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.9535 -2.6159 0.0 0
M  V30 2 C 4.5467 -1.7024 0.0 0
M  V30 3 O 5.0467 -0.8364 0.0 0
M  V30 4 C 3.5686 -1.4945 0.0 0
M  V30 5 C 4.3776 -0.0932 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 7 N 2.598 0.0 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 O 1.732 -1.5 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 N -0.9135 -0.0932 0.0 0
M  V30 13 C -0.1045 -1.4945 0.0 0
M  V30 14 N -1.5826 -0.8364 0.0 0
M  V30 15 C -1.1214 0.8848 0.0 0
M  V30 16 C -1.0826 -1.7024 0.0 0
M  V30 17 N -0.3783 1.554 0.0 0
M  V30 18 C -2.0725 1.1939 0.0 0
M  V30 19 C -0.5862 2.5321 0.0 0
M  V30 20 C -2.2804 2.172 0.0 0
M  V30 21 C -1.5372 2.8411 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 1 6 7 CFG=3
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 2 10 11 CFG=2
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 2 19 21
M  V30 21 1 5 6
M  V30 22 1 14 16
M  V30 23 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001364374829

>  <name>
NA

>  <smiles>
O=C(NC1COC(=O)C1)N=c1cc[nH]n1-c1ccccn1

$$$$
ZINC000291440149
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 9.0619 -1.0978 0.0 0
M  V30 2 C 7.5701 -1.2546 0.0 0
M  V30 3 S 6.5664 -0.1398 0.0 0
M  V30 4 C 6.8201 -2.5536 0.0 0
M  V30 5 C 5.1961 -0.75 0.0 0
M  V30 6 C 5.3529 -2.2417 0.0 0
M  V30 7 C 3.8971 0.0 0.0 0 CFG=2
M  V30 8 C 2.598 -0.75 0.0 0
M  V30 9 C 3.8971 1.5 0.0 0
M  V30 10 O 2.598 -2.25 0.0 0
M  V30 11 N 1.299 0.0 0.0 0
M  V30 12 C 0.0 -0.75 0.0 0
M  V30 13 C -1.299 0.0 0.0 0
M  V30 14 C 0.0 -2.2499 0.0 0
M  V30 15 O -1.299 1.5 0.0 0
M  V30 16 C -2.598 -0.7499 0.0 0
M  V30 17 C -1.299 -2.9999 0.0 0
M  V30 18 C -2.598 -2.2499 0.0 0
M  V30 19 N -1.6109 -4.4672 0.0 0
M  V30 20 N -3.7127 -3.2536 0.0 0
M  V30 21 C -3.1026 -4.624 0.0 0
M  V30 22 C -0.6072 -5.5819 0.0 0
M  V30 23 C -5.18 -2.9418 0.0 0
M  V30 24 O -3.8526 -5.923 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 7 5
M  V30 7 1 7 8
M  V30 8 1 7 9 CFG=3
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 11 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 21 24
M  V30 24 2 5 6
M  V30 25 1 17 18
M  V30 26 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 7)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000291440149

>  <name>
NA

>  <smiles>
CC(C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1O)c1ccc(Cl)s1

$$$$
ZINC000888954357
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 1.5 0.0 0
M  V30 2 C 4.3301 1.0 0.0 0
M  V30 3 N 3.4641 1.5 0.0 0
M  V30 4 C 4.3301 0.0 0.0 0
M  V30 5 C 2.598 0.9999 0.0 0
M  V30 6 C 3.4641 2.5 0.0 0
M  V30 7 C 3.4641 -0.4999 0.0 0
M  V30 8 C 5.1961 -0.4999 0.0 0
M  V30 9 C 2.598 0.0 0.0 0
M  V30 10 C 3.4641 -1.4999 0.0 0
M  V30 11 C 5.1961 -1.4999 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 C 4.3301 -1.9999 0.0 0
M  V30 14 O 1.732 -1.5 0.0 0
M  V30 15 N 0.866 0.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 C -1.0 -0.4999 0.0 0
M  V30 18 C -0.5 -1.366 0.0 0
M  V30 19 C -1.2588 0.4659 0.0 0
M  V30 20 C -1.9659 -0.7588 0.0 0
M  V30 21 C -2.2247 0.2071 0.0 0
M  V30 22 O -3.0907 0.7071 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 8 11
M  V30 11 1 9 12
M  V30 12 2 10 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 17 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 1 7 9
M  V30 23 1 11 13
M  V30 24 1 17 18
M  V30 25 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000888954357

>  <name>
NA

>  <smiles>
CN1CC(C(=O)NC2CC22CC(O)C2)c2ccccc2C1=O

$$$$
ZINC000330901433
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 19 20 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 5.1961 1.5 0.0 0
M  V30 2 C 4.3301 1.0 0.0 0
M  V30 3 C 3.4641 1.5 0.0 0
M  V30 4 C 4.3301 0.0 0.0 0
M  V30 5 C 2.598 0.9999 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 O 1.732 1.4999 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 N 1.732 -0.5 0.0 0
M  V30 10 C 0.866 0.0 0.0 0
M  V30 11 O 0.866 1.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C -0.866 0.0 0.0 0
M  V30 14 C 0.0 -1.4999 0.0 0
M  V30 15 C -1.732 -0.4999 0.0 0
M  V30 16 C -0.866 -1.9999 0.0 0
M  V30 17 O -2.598 0.0 0.0 0
M  V30 18 N -1.732 -1.4999 0.0 0
M  V30 19 C -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 6 8
M  V30 20 1 16 18
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000330901433

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)Nc1ccc(Cl)cc1O

$$$$
ZINC001347918434
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 1.299 1.4999 0.0 0
M  V30 2 C 2.598 2.2499 0.0 0
M  V30 3 C 3.8971 1.5 0.0 0
M  V30 4 C 2.598 3.7499 0.0 0
M  V30 5 C 5.1961 2.25 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0 CFG=1
M  V30 7 C 3.8971 4.5 0.0 0
M  V30 8 C 5.1961 3.75 0.0 0
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 5.1961 -0.75 0.0 0
M  V30 11 C 1.299 0.0 0.0 0
M  V30 12 C 6.4951 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 N -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.2499 0.0 0
M  V30 16 C -2.598 -0.7499 0.0 0
M  V30 17 C -1.299 -2.9999 0.0 0
M  V30 18 N -4.0246 -0.2864 0.0 0
M  V30 19 N -2.598 -2.2499 0.0 0
M  V30 20 O -1.299 -4.4999 0.0 0
M  V30 21 C -4.9063 -1.4999 0.0 0
M  V30 22 N -4.0246 -2.7135 0.0 0
M  V30 23 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 3
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9 CFG=3
M  V30 9 1 6 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 21 23
M  V30 23 1 7 8
M  V30 24 1 17 19
M  V30 25 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001347918434

>  <name>
NA

>  <smiles>
CCC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccccc1F

$$$$
ZINC000027819670
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 5.2811 1.309 0.0 0
M  V30 2 C 4.3301 1.0 0.0 0
M  V30 3 C 5.8689 0.5 0.0 0
M  V30 4 C 3.4641 1.5 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0
M  V30 6 C 5.2811 -0.309 0.0 0
M  V30 7 O 3.4641 2.5 0.0 0
M  V30 8 N 2.598 1.0 0.0 0
M  V30 9 N 3.4641 -0.4999 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 C 1.732 1.4999 0.0 0
M  V30 12 S 1.732 -0.5 0.0 0
M  V30 13 C 0.866 1.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 C -0.866 0.0 0.0 0
M  V30 17 C 0.0 -1.4999 0.0 0
M  V30 18 C -1.732 -0.4999 0.0 0
M  V30 19 C -0.866 -1.9999 0.0 0
M  V30 20 C -1.732 -1.4999 0.0 0
M  V30 21 C -2.598 0.0 0.0 0
M  V30 22 F -3.098 -0.866 0.0 0
M  V30 23 F -3.4641 0.5 0.0 0
M  V30 24 F -2.098 0.866 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 2 4
M  V30 4 2 2 5
M  V30 5 2 3 6
M  V30 6 2 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 21 22
M  V30 22 1 21 23
M  V30 23 1 21 24
M  V30 24 1 5 6
M  V30 25 2 9 10
M  V30 26 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000027819670

>  <name>
NA

>  <smiles>
CCn1c(SCc2cccc(c2)C(F)(F)F)nc2ccsc2c1=O

$$$$
ZINC000964989389
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 8.5472 -6.8392 0.0 0
M  V30 2 C 9.135 -6.0301 0.0 0
M  V30 3 F 10.1295 -6.1347 0.0 0
M  V30 4 C 8.7283 -5.1166 0.0 0
M  V30 5 N 9.2283 -4.2506 0.0 0
M  V30 6 C 7.7501 -4.9087 0.0 0
M  V30 7 N 8.5591 -3.5074 0.0 0
M  V30 8 C 7.6456 -3.9142 0.0 0
M  V30 9 C 6.7796 -3.4142 0.0 0
M  V30 10 O 5.9135 -3.9142 0.0 0
M  V30 11 N 6.7796 -2.4142 0.0 0
M  V30 12 C 5.9135 -1.9142 0.0 0
M  V30 13 C 5.6547 -0.9482 0.0 0
M  V30 14 C 4.9476 -2.173 0.0 0
M  V30 15 C 4.6888 -1.2071 0.0 0
M  V30 16 C 4.43 -0.2411 0.0 0
M  V30 17 C 3.7229 -1.4659 0.0 0
M  V30 18 C 3.4641 -0.5 0.0 0
M  V30 19 N 2.598 0.0 0.0 0
M  V30 20 C 1.732 -0.5 0.0 0
M  V30 21 C 0.866 0.0 0.0 0
M  V30 22 O 0.866 1.0 0.0 0
M  V30 23 N 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 4 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 2 21 22
M  V30 22 1 21 23
M  V30 23 2 7 8
M  V30 24 1 14 15
M  V30 25 1 17 18
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000964989389

>  <name>
NA

>  <smiles>
NC(=O)CNC1CC2(C1)CC(C2)NC(=O)c1cc([nH]n1)C(F)F

$$$$
ZINC001337749938
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 10.3714 0.2318 0.0 0
M  V30 2 C 9.3769 0.3364 0.0 0
M  V30 3 C 8.8769 1.2024 0.0 0
M  V30 4 C 8.7077 -0.4067 0.0 0
M  V30 5 N 7.8987 0.9945 0.0 0
M  V30 6 C 7.7942 0.0 0.0 0
M  V30 7 C 6.9282 -0.5 0.0 0
M  V30 8 O 6.9282 -1.4999 0.0 0
M  V30 9 N 6.0621 0.0 0.0 0
M  V30 10 C 5.1961 -0.5 0.0 0
M  V30 11 C 4.3301 0.0 0.0 0
M  V30 12 N 3.4641 -0.5 0.0 0
M  V30 13 C 4.3301 1.0 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 O 3.4641 1.5 0.0 0
M  V30 16 O 2.598 1.0 0.0 0
M  V30 17 C 1.732 -0.5 0.0 0
M  V30 18 C 0.866 0.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 N -0.9135 -0.0932 0.0 0
M  V30 21 C -0.1045 -1.4945 0.0 0
M  V30 22 C -1.5826 -0.8364 0.0 0
M  V30 23 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 2 11 12 CFG=2
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 2 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 5 6
M  V30 24 2 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001337749938

>  <name>
NA

>  <smiles>
OCC(CNC(=O)c1cc(F)c[nH]1)=NC(=O)CCc1ccc[nH]1

$$$$
ZINC000843208191
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.4237 -7.1978 0.0 0
M  V30 2 C 4.8791 -6.3591 0.0 0
M  V30 3 N 5.2375 -5.4255 0.0 0
M  V30 4 N 3.8805 -6.3068 0.0 0
M  V30 5 C 4.4603 -4.7962 0.0 0
M  V30 6 C 3.6217 -5.3408 0.0 0 CFG=1
M  V30 7 O 4.5127 -3.7976 0.0 0
M  V30 8 C 2.6881 -4.9825 0.0 0
M  V30 9 C 3.5171 -4.3463 0.0 0
M  V30 10 C 2.5316 -3.9948 0.0 0
M  V30 11 C 1.9109 -5.6118 0.0 0
M  V30 12 C 1.5981 -3.6364 0.0 0
M  V30 13 C 0.9774 -5.2534 0.0 0
M  V30 14 C 1.4416 -2.6487 0.0 0
M  V30 15 C 0.8209 -4.2657 0.0 0
M  V30 16 N 2.1487 -1.9416 0.0 0
M  V30 17 N 0.5506 -2.1947 0.0 0
M  V30 18 O 1.6947 -1.0506 0.0 0
M  V30 19 C 0.7071 -1.2071 0.0 0
M  V30 20 C 0.0 -0.5 0.0 0
M  V30 21 C -1.0 -0.4999 0.0 0
M  V30 22 C -0.5 -1.366 0.0 0
M  V30 23 C 0.866 0.0 0.0 0
M  V30 24 N 0.866 0.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 2 5 7
M  V30 7 1 6 8
M  V30 8 1 6 9 CFG=1
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 10 12
M  V30 12 2 11 13
M  V30 13 1 12 14
M  V30 14 2 12 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 5 6
M  V30 25 1 13 15
M  V30 26 1 18 19
M  V30 27 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000843208191

>  <name>
NA

>  <smiles>
CC1(NC(=O)NC1=O)c1cccc(c1)-c1noc(n1)C1(CN)CC1

$$$$
ZINC000732299680
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 8.6602 1.5 0.0 0
M  V30 2 C 9.5262 1.0 0.0 0
M  V30 3 C 9.5262 0.0 0.0 0
M  V30 4 C 10.3923 1.4999 0.0 0
M  V30 5 C 10.3923 -0.5 0.0 0
M  V30 6 C 8.6602 -0.5 0.0 0 CFG=1
M  V30 7 C 11.2583 0.9999 0.0 0
M  V30 8 C 11.2583 0.0 0.0 0
M  V30 9 O 8.6602 -1.4999 0.0 0
M  V30 10 C 7.7942 0.0 0.0 0
M  V30 11 Cl 12.1243 1.4999 0.0 0
M  V30 12 N 6.9282 -0.5 0.0 0
M  V30 13 C 6.0621 0.0 0.0 0
M  V30 14 O 6.0621 0.9999 0.0 0
M  V30 15 C 5.1961 -0.5 0.0 0
M  V30 16 N 4.3301 0.0 0.0 0
M  V30 17 C 3.4641 -0.5 0.0 0
M  V30 18 O 3.4641 -1.5 0.0 0
M  V30 19 C 2.598 0.0 0.0 0
M  V30 20 N 1.732 -0.5 0.0 0
M  V30 21 C 0.866 0.0 0.0 0
M  V30 22 O 0.866 1.0 0.0 0
M  V30 23 C 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 3
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9 CFG=1
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 2 21 22
M  V30 22 1 21 23
M  V30 23 1 7 8
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000732299680

>  <name>
NA

>  <smiles>
CC(=O)NCC(=O)NCC(=O)NCC(O)c1ccc(Cl)cc1Cl

$$$$
ZINC001212791337
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.6172 -3.7385 0.0 0
M  V30 2 C 4.6227 -3.634 0.0 0
M  V30 3 N 4.2159 -2.7205 0.0 0
M  V30 4 C 4.0349 -4.443 0.0 0
M  V30 5 C 3.2214 -2.6159 0.0 0
M  V30 6 C 3.0404 -4.3385 0.0 0
M  V30 7 N 2.8147 -1.7024 0.0 0
M  V30 8 C 2.6336 -3.4249 0.0 0
M  V30 9 C 3.3147 -0.8364 0.0 0
M  V30 10 C 1.8365 -1.4945 0.0 0
M  V30 11 C 2.6455 -0.0932 0.0 0
M  V30 12 C 4.2928 -0.6284 0.0 0
M  V30 13 C 1.732 -0.5 0.0 0
M  V30 14 C 2.9546 0.8577 0.0 0
M  V30 15 C 4.6018 0.3225 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 3.9327 1.0657 0.0 0
M  V30 18 O 0.866 1.0 0.0 0
M  V30 19 N 0.0 -0.5 0.0 0
M  V30 20 N 4.2417 2.0167 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 2 10 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 6 8
M  V30 21 1 11 13
M  V30 22 1 15 17
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001212791337

>  <name>
NA

>  <smiles>
NC(=O)c1cn(-c2cccc(=O)[nH]2)c2ccc(N)cc12

$$$$
ZINC001328895259
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 9.0932 -4.5 0.0 0
M  V30 2 C 9.0932 -3.0 0.0 0
M  V30 3 N 10.3923 -2.25 0.0 0
M  V30 4 C 7.7942 -2.2499 0.0 0
M  V30 5 N 11.8188 -2.7135 0.0 0
M  V30 6 C 10.3923 -0.75 0.0 0
M  V30 7 C 7.7942 -0.75 0.0 0
M  V30 8 C 12.7005 -1.5 0.0 0
M  V30 9 N 11.8188 -0.2864 0.0 0
M  V30 10 N 9.0932 0.0 0.0 0
M  V30 11 C 6.4951 0.0 0.0 0
M  V30 12 N 14.2005 -1.5 0.0 0
M  V30 13 N 5.1961 -0.75 0.0 0
M  V30 14 C 3.8971 0.0 0.0 0 CFG=2
M  V30 15 C 3.8971 1.5 0.0 0
M  V30 16 C 2.598 -0.75 0.0 0
M  V30 17 O 5.1106 2.3816 0.0 0
M  V30 18 C 2.6835 2.3816 0.0 0
M  V30 19 O 1.299 0.0 0.0 0
M  V30 20 C 4.6471 3.8082 0.0 0
M  V30 21 C 3.1471 3.8082 0.0 0
M  V30 22 C 0.0 -0.75 0.0 0
M  V30 23 C 5.5287 5.0217 0.0 0
M  V30 24 C 4.9186 6.3921 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13 CFG=1
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 7 10
M  V30 25 1 8 9
M  V30 26 2 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001328895259

>  <name>
NA

>  <smiles>
CCc1ccc(o1)C(COC)NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC001642964620
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 19 21 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.8971 -4.5 0.0 0
M  V30 2 C 3.8971 -3.0 0.0 0
M  V30 3 N 5.1961 -2.25 0.0 0
M  V30 4 C 2.598 -2.25 0.0 0
M  V30 5 N 6.6227 -2.7135 0.0 0
M  V30 6 C 5.1961 -0.75 0.0 0
M  V30 7 C 2.598 -0.75 0.0 0
M  V30 8 C 7.5044 -1.5 0.0 0
M  V30 9 N 6.6227 -0.2864 0.0 0
M  V30 10 N 3.8971 0.0 0.0 0
M  V30 11 C 1.299 0.0 0.0 0
M  V30 12 N 9.0044 -1.5 0.0 0
M  V30 13 N 0.0 -0.75 0.0 0
M  V30 14 C -1.3703 -0.1398 0.0 0
M  V30 15 C -0.1567 -2.2417 0.0 0
M  V30 16 C -2.374 -1.2546 0.0 0 CFG=2
M  V30 17 C -1.624 -2.5536 0.0 0
M  V30 18 O -3.5875 -0.3729 0.0 0
M  V30 19 C -3.7443 -1.8647 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 16 14
M  V30 16 1 15 17
M  V30 17 1 16 18 CFG=3
M  V30 18 1 16 19
M  V30 19 1 7 10
M  V30 20 1 8 9
M  V30 21 1 16 17
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 16)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001642964620

>  <name>
NA

>  <smiles>
CC1(O)CCN(Cc2cc(=O)n3[nH]c(=N)nc3[nH]2)C1

$$$$
ZINC000910394127
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 5.1961 -3.5 0.0 0
M  V30 2 C 4.3301 -3.0 0.0 0
M  V30 3 C 4.3301 -2.0 0.0 0
M  V30 4 C 3.4641 -3.5 0.0 0
M  V30 5 C 3.4641 -1.5 0.0 0
M  V30 6 C 2.598 -3.0 0.0 0
M  V30 7 C 2.598 -2.0 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 C 5.1961 -0.5 0.0 0
M  V30 12 C 4.3301 1.0 0.0 0
M  V30 13 O 2.598 1.0 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 N -0.866 0.0 0.0 0
M  V30 18 C 0.0 -1.4999 0.0 0
M  V30 19 C -1.732 -0.4999 0.0 0
M  V30 20 C -0.866 -1.9999 0.0 0
M  V30 21 C -1.732 -1.4999 0.0 0
M  V30 22 O -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 5
M  V30 8 1 8 9 CFG=3
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 9 12
M  V30 12 2 10 13
M  V30 13 1 10 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 6 7
M  V30 23 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000910394127

>  <name>
NA

>  <smiles>
CN(C)C(C(=O)NCc1cc(=O)cc[nH]1)c1cccc(Cl)c1

$$$$
ZINC000621259420
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 9.0932 -4.5 0.0 0
M  V30 2 C 9.0932 -3.0 0.0 0
M  V30 3 N 10.3923 -2.25 0.0 0
M  V30 4 C 7.7942 -2.2499 0.0 0
M  V30 5 N 11.8188 -2.7135 0.0 0
M  V30 6 C 10.3923 -0.75 0.0 0
M  V30 7 C 7.7942 -0.75 0.0 0
M  V30 8 C 12.7005 -1.5 0.0 0
M  V30 9 N 11.8188 -0.2864 0.0 0
M  V30 10 N 9.0932 0.0 0.0 0
M  V30 11 C 6.4951 0.0 0.0 0
M  V30 12 N 14.2005 -1.5 0.0 0
M  V30 13 N 5.1961 -0.75 0.0 0
M  V30 14 C 5.1961 -2.25 0.0 0
M  V30 15 C 3.8971 0.0 0.0 0
M  V30 16 C 3.8971 -2.9999 0.0 0
M  V30 17 C 6.4951 -3.0 0.0 0
M  V30 18 C 2.598 -0.75 0.0 0 CFG=1
M  V30 19 C 3.8971 -4.5 0.0 0
M  V30 20 C 6.4951 -4.5 0.0 0
M  V30 21 O 2.598 -2.25 0.0 0
M  V30 22 C 1.299 0.0 0.0 0
M  V30 23 C 5.1961 -5.25 0.0 0
M  V30 24 C 0.0 -0.75 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 18 15
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21 CFG=1
M  V30 21 1 18 22
M  V30 22 2 19 23
M  V30 23 1 22 24
M  V30 24 1 7 10
M  V30 25 1 8 9
M  V30 26 1 20 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 18)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000621259420

>  <name>
NA

>  <smiles>
CCC(O)CN(Cc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccccc1

$$$$
ZINC001544356701
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 1.8744 -1.8546 0.0 0
M  V30 2 C 2.8254 -2.1636 0.0 0
M  V30 3 F 3.0333 -3.1418 0.0 0
M  V30 4 C 3.5686 -1.4945 0.0 0
M  V30 5 N 4.5467 -1.7024 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0
M  V30 7 C 5.0467 -0.8364 0.0 0
M  V30 8 N 4.3776 -0.0932 0.0 0
M  V30 9 C 2.598 0.0 0.0 0
M  V30 10 C 6.0249 -0.6284 0.0 0
M  V30 11 C 4.6866 0.8577 0.0 0
M  V30 12 O 2.598 1.0 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 6.3339 0.3225 0.0 0
M  V30 15 C 5.6648 1.0657 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 N -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 C -1.732 -1.4999 0.0 0
M  V30 23 O -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 4 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 6 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 1 8 11
M  V30 11 2 9 12
M  V30 12 1 9 13
M  V30 13 2 10 14
M  V30 14 2 11 15
M  V30 15 1 13 16
M  V30 16 1 16 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 20 22
M  V30 22 2 22 23
M  V30 23 1 7 8
M  V30 24 1 14 15
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001544356701

>  <name>
NA

>  <smiles>
FC(F)c1nc2ccccn2c1C(=O)NCc1ccc(=O)[nH]c1

$$$$
ZINC000831976503
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 4.3301 -4.9999 0.0 0
M  V30 2 C 3.4641 -4.5 0.0 0
M  V30 3 C 3.4641 -3.5 0.0 0
M  V30 4 C 2.598 -5.0 0.0 0
M  V30 5 C 2.598 -3.0 0.0 0
M  V30 6 C 1.732 -4.4999 0.0 0
M  V30 7 C 1.732 -3.5 0.0 0
M  V30 8 C 2.598 -2.0 0.0 0 CFG=1
M  V30 9 O 3.4641 -1.5 0.0 0
M  V30 10 C 1.732 -1.5 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 O 0.866 1.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 C -0.866 0.0 0.0 0
M  V30 18 C 0.0 -1.4999 0.0 0
M  V30 19 C -1.732 -0.4999 0.0 0
M  V30 20 C -0.866 -1.9999 0.0 0
M  V30 21 C -1.732 -1.4999 0.0 0
M  V30 22 C -2.598 0.0 0.0 0
M  V30 23 N -3.4641 -0.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 5 CFG=3
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 22 23
M  V30 23 1 6 7
M  V30 24 1 12 13
M  V30 25 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000831976503

>  <name>
NA

>  <smiles>
NCc1cccc(c1)C(=O)N1CCOC(C1)c1cccc(Cl)c1

$$$$
ZINC001559857511
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.4951 1.4999 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 C 5.1961 -0.75 0.0 0
M  V30 4 C 7.7942 -0.75 0.0 0
M  V30 5 C 5.1961 -2.25 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0
M  V30 7 C 7.7942 -2.25 0.0 0
M  V30 8 F 3.8971 -2.9999 0.0 0
M  V30 9 C 6.4951 -3.0 0.0 0
M  V30 10 N 2.598 -0.75 0.0 0
M  V30 11 C 1.299 0.0 0.0 0
M  V30 12 C 2.598 -2.25 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 N -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.2499 0.0 0
M  V30 16 C -2.598 -0.7499 0.0 0
M  V30 17 C -1.299 -2.9999 0.0 0
M  V30 18 N -4.0246 -0.2864 0.0 0
M  V30 19 N -2.598 -2.2499 0.0 0
M  V30 20 O -1.299 -4.4999 0.0 0
M  V30 21 C -4.9063 -1.4999 0.0 0
M  V30 22 N -4.0246 -2.7135 0.0 0
M  V30 23 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 5 9
M  V30 9 1 6 10
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 21 23
M  V30 23 1 7 9
M  V30 24 1 17 19
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001559857511

>  <name>
NA

>  <smiles>
CN(Cc1cc(=O)n2[nH]c(=N)nc2[nH]1)Cc1c(F)cccc1F

$$$$
ZINC001210018944
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.3301 -1.9999 0.0 0
M  V30 2 C 3.4641 -1.4999 0.0 0
M  V30 3 C 3.4641 -0.5 0.0 0
M  V30 4 C 2.598 -1.9999 0.0 0
M  V30 5 C 2.598 0.0 0.0 0
M  V30 6 C 1.732 -1.5 0.0 0
M  V30 7 O 2.598 1.0 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C 0.0 -0.5 0.0 0
M  V30 11 C -0.866 0.0 0.0 0
M  V30 12 C 0.0 -1.4999 0.0 0
M  V30 13 N -0.866 1.0 0.0 0
M  V30 14 C -1.732 -0.4999 0.0 0
M  V30 15 C -0.866 -1.9999 0.0 0
M  V30 16 C -0.057 1.5877 0.0 0
M  V30 17 C -1.675 1.5877 0.0 0
M  V30 18 C -1.732 -1.4999 0.0 0
M  V30 19 C -0.866 -2.9999 0.0 0
M  V30 20 C -0.366 2.5388 0.0 0
M  V30 21 C -1.366 2.5388 0.0 0
M  V30 22 F 0.1339 -2.9999 0.0 0
M  V30 23 F -0.866 -3.9999 0.0 0
M  V30 24 F -1.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 13 16
M  V30 16 1 13 17
M  V30 17 2 14 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 1 17 21
M  V30 21 1 19 22
M  V30 22 1 19 23
M  V30 23 1 19 24
M  V30 24 1 6 8
M  V30 25 1 15 18
M  V30 26 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001210018944

>  <name>
NA

>  <smiles>
Oc1cc(F)ccc1Nc1cc(ccc1N1CCCC1)C(F)(F)F

$$$$
ZINC000121767870
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 7.0621 -3.0 0.0 0
M  V30 2 C 6.0621 -3.0 0.0 0
M  V30 3 F 6.0621 -4.0 0.0 0
M  V30 4 F 5.0621 -2.9999 0.0 0
M  V30 5 O 6.0621 -1.9999 0.0 0
M  V30 6 C 5.1961 -1.4999 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 C 4.3301 -1.9999 0.0 0
M  V30 9 C 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -1.5 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 2.598 1.0 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 O -2.598 0.0 0.0 0
M  V30 23 N -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 5 6
M  V30 6 2 6 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 2 8 10
M  V30 10 2 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 10 11
M  V30 24 1 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000121767870

>  <name>
NA

>  <smiles>
CC(NC(=O)C1CCNC(=O)C1)c1ccc(OC(F)(F)F)cc1

$$$$
ZINC001378289582
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 11.162 3.2229 0.0 0
M  V30 2 C 10.662 2.3568 0.0 0
M  V30 3 N 9.662 2.3568 0.0 0
M  V30 4 C 11.162 1.4908 0.0 0
M  V30 5 C 9.162 1.4908 0.0 0
M  V30 6 C 10.662 0.6248 0.0 0
M  V30 7 C 8.162 1.4908 0.0 0
M  V30 8 C 9.662 0.6248 0.0 0
M  V30 9 O 7.662 2.3568 0.0 0
M  V30 10 N 7.662 0.6248 0.0 0
M  V30 11 C 6.662 0.6248 0.0 0
M  V30 12 C 6.162 -0.2411 0.0 0 CFG=2
M  V30 13 N 5.1961 -0.5 0.0 0
M  V30 14 C 6.4208 -1.2071 0.0 0
M  V30 15 C 4.3301 0.0 0.0 0
M  V30 16 C 5.4549 -1.4659 0.0 0
M  V30 17 O 4.3301 1.0 0.0 0
M  V30 18 C 3.4641 -0.5 0.0 0
M  V30 19 C 2.598 0.0 0.0 0
M  V30 20 N 1.732 -0.5 0.0 0
M  V30 21 C 0.866 0.0 0.0 0
M  V30 22 O 0.866 1.0 0.0 0
M  V30 23 N 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 2 7 9
M  V30 9 1 7 10
M  V30 10 1 10 11
M  V30 11 1 12 11 CFG=1
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 2 21 22
M  V30 22 1 21 23
M  V30 23 1 6 8
M  V30 24 1 14 16
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001378289582

>  <name>
NA

>  <smiles>
NC(=O)NCCC(=O)N1CCC1CNC(=O)c1cccc(=O)[nH]1

$$$$
ZINC000621312026
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.38 1.0762 0.0 0
M  V30 2 C 0.9942 1.6503 0.0 0
M  V30 3 C -0.1957 0.7371 0.0 0
M  V30 4 C 0.7984 3.1374 0.0 0
M  V30 5 C -1.5816 1.3111 0.0 0
M  V30 6 C 0.0 -0.75 0.0 0
M  V30 7 C -0.5873 3.7115 0.0 0
M  V30 8 C -1.7773 2.7983 0.0 0
M  V30 9 N 1.299 0.0 0.0 0
M  V30 10 C -0.3882 -2.1988 0.0 0
M  V30 11 C -1.4488 -0.3617 0.0 0
M  V30 12 C 2.598 -0.75 0.0 0
M  V30 13 C -1.8371 -1.8106 0.0 0
M  V30 14 C 3.8971 0.0 0.0 0
M  V30 15 N 5.1961 -0.75 0.0 0
M  V30 16 C 3.8971 1.4999 0.0 0
M  V30 17 C 6.4951 0.0 0.0 0
M  V30 18 C 5.1961 2.25 0.0 0
M  V30 19 N 7.9217 -0.4635 0.0 0
M  V30 20 N 6.4951 1.5 0.0 0
M  V30 21 O 5.1961 3.75 0.0 0
M  V30 22 C 8.8034 0.75 0.0 0
M  V30 23 N 7.9217 1.9635 0.0 0
M  V30 24 N 10.3034 0.75 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 6 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 2 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 22 24
M  V30 24 1 7 8
M  V30 25 1 11 13
M  V30 26 1 18 20
M  V30 27 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000621312026

>  <name>
NA

>  <smiles>
Fc1ccccc1C1(CCC1)NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC001328895258
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 9.0932 -4.5 0.0 0
M  V30 2 C 9.0932 -3.0 0.0 0
M  V30 3 N 10.3923 -2.25 0.0 0
M  V30 4 C 7.7942 -2.2499 0.0 0
M  V30 5 N 11.8188 -2.7135 0.0 0
M  V30 6 C 10.3923 -0.75 0.0 0
M  V30 7 C 7.7942 -0.75 0.0 0
M  V30 8 C 12.7005 -1.5 0.0 0
M  V30 9 N 11.8188 -0.2864 0.0 0
M  V30 10 N 9.0932 0.0 0.0 0
M  V30 11 C 6.4951 0.0 0.0 0
M  V30 12 N 14.2005 -1.5 0.0 0
M  V30 13 N 5.1961 -0.75 0.0 0
M  V30 14 C 3.8971 0.0 0.0 0 CFG=2
M  V30 15 C 3.8971 1.5 0.0 0
M  V30 16 C 2.598 -0.75 0.0 0
M  V30 17 O 5.1106 2.3816 0.0 0
M  V30 18 C 2.6835 2.3816 0.0 0
M  V30 19 O 1.299 0.0 0.0 0
M  V30 20 C 4.6471 3.8082 0.0 0
M  V30 21 C 3.1471 3.8082 0.0 0
M  V30 22 C 0.0 -0.75 0.0 0
M  V30 23 C 5.5287 5.0217 0.0 0
M  V30 24 C 4.9186 6.3921 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13 CFG=1
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 7 10
M  V30 25 1 8 9
M  V30 26 2 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001328895258

>  <name>
NA

>  <smiles>
CCc1ccc(o1)C(COC)NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC001212912553
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 18 19 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.3301 -1.9999 0.0 0
M  V30 2 C 3.4641 -1.4999 0.0 0
M  V30 3 C 3.4641 -0.5 0.0 0
M  V30 4 C 2.598 -1.9999 0.0 0
M  V30 5 C 2.598 0.0 0.0 0
M  V30 6 C 1.732 -1.5 0.0 0
M  V30 7 O 2.598 1.0 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C 0.0 -0.5 0.0 0
M  V30 11 C -0.866 0.0 0.0 0
M  V30 12 C 0.0 -1.4999 0.0 0
M  V30 13 N -1.732 -0.4999 0.0 0
M  V30 14 C -0.866 -1.9999 0.0 0
M  V30 15 C -1.732 -1.4999 0.0 0
M  V30 16 C -2.598 0.0 0.0 0
M  V30 17 O -2.598 -1.9999 0.0 0
M  V30 18 C -3.4641 -0.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 2 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 15 17
M  V30 17 1 16 18
M  V30 18 1 6 8
M  V30 19 1 14 15
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001212912553

>  <name>
NA

>  <smiles>
CCn1cc(Nc2ccc(F)cc2O)ccc1=O

$$$$
ZINC000368144913
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.75 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 C 5.1961 2.25 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 5.1961 3.75 0.0 0
M  V30 9 C 2.598 -0.75 0.0 0
M  V30 10 C 2.598 2.25 0.0 0
M  V30 11 C 3.8971 4.5 0.0 0
M  V30 12 O 2.598 -2.25 0.0 0
M  V30 13 N 1.299 0.0 0.0 0
M  V30 14 C 2.598 3.7499 0.0 0
M  V30 15 C 0.0 -0.75 0.0 0
M  V30 16 C -1.5 -0.7499 0.0 0
M  V30 17 C -0.75 -2.049 0.0 0
M  V30 18 C -2.9672 -1.0618 0.0 0
M  V30 19 C -1.7536 -3.1637 0.0 0
M  V30 20 N -3.124 -2.5536 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 2 8 11
M  V30 11 1 9 12
M  V30 12 1 9 13
M  V30 13 2 10 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 6 7
M  V30 21 1 11 14
M  V30 22 1 16 17
M  V30 23 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000368144913

>  <name>
NA

>  <smiles>
OC(NC1C2CNCC12)c1cc(=O)[nH]c2ccccc12

$$$$
ZINC000832831151
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 3.5116 -0.4067 0.0 0
M  V30 2 C 4.1807 0.3364 0.0 0
M  V30 3 C 2.598 0.0 0.0 0
M  V30 4 N 5.1752 0.2318 0.0 0
M  V30 5 N 3.6807 1.2024 0.0 0
M  V30 6 C 2.7026 0.9945 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 O 1.9594 1.6636 0.0 0
M  V30 9 C 0.866 0.0 0.0 0
M  V30 10 O 0.866 1.0 0.0 0
M  V30 11 N 0.0 -0.5 0.0 0
M  V30 12 C -0.9135 -0.0932 0.0 0
M  V30 13 C -0.1045 -1.4945 0.0 0
M  V30 14 C -1.1214 0.8848 0.0 0
M  V30 15 C -1.5826 -0.8364 0.0 0
M  V30 16 C -1.0826 -1.7024 0.0 0
M  V30 17 O -0.3783 1.554 0.0 0
M  V30 18 N -2.0725 1.1939 0.0 0
M  V30 19 C -2.5608 -1.0443 0.0 0
M  V30 20 C -1.7518 -2.4455 0.0 0
M  V30 21 C -2.6653 -2.0388 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 3 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 1 19 21
M  V30 21 1 5 6
M  V30 22 1 15 16
M  V30 23 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000832831151

>  <name>
NA

>  <smiles>
NC(=O)C1C2CCCC2CN1C(=O)Cc1sc(=N)[nH]c1O

$$$$
ZINC000685235139
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 9.0932 0.0 0.0 0
M  V30 2 C 7.7942 -0.75 0.0 0
M  V30 3 C 6.4951 0.0 0.0 0
M  V30 4 C 7.7942 -2.2499 0.0 0
M  V30 5 C 5.1961 -0.75 0.0 0
M  V30 6 C 6.4951 -3.0 0.0 0
M  V30 7 O 3.8971 0.0 0.0 0
M  V30 8 C 5.1961 -2.2499 0.0 0
M  V30 9 C 3.8971 1.4999 0.0 0
M  V30 10 N 3.8971 -2.9999 0.0 0
M  V30 11 C 2.598 2.2499 0.0 0
M  V30 12 C 2.598 -2.2499 0.0 0
M  V30 13 F 1.299 1.4999 0.0 0
M  V30 14 F 2.598 3.75 0.0 0
M  V30 15 O 2.598 -0.75 0.0 0
M  V30 16 C 1.299 -2.9999 0.0 0
M  V30 17 C 0.0 -2.2499 0.0 0
M  V30 18 C 1.299 -4.4999 0.0 0
M  V30 19 C -1.299 -2.9999 0.0 0
M  V30 20 C 0.0 -5.2499 0.0 0
M  V30 21 O -2.598 -2.2499 0.0 0
M  V30 22 N -1.299 -4.4999 0.0 0
M  V30 23 C 0.0 -6.7499 0.0 0
M  V30 24 C 1.299 -7.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 6 8
M  V30 25 1 20 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000685235139

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)Nc1ccc(Cl)cc1OCC(F)F

$$$$
ZINC001654539813
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.8971 6.0 0.0 0
M  V30 2 C 3.8971 4.5 0.0 0
M  V30 3 C 2.598 3.75 0.0 0
M  V30 4 C 5.1961 3.75 0.0 0
M  V30 5 C 2.598 2.25 0.0 0
M  V30 6 C 5.1961 2.25 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 3.8971 0.0 0.0 0 CFG=1
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 5.1961 -0.75 0.0 0
M  V30 11 C 1.299 0.0 0.0 0
M  V30 12 O 6.4951 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 N -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.2499 0.0 0
M  V30 16 C -2.598 -0.7499 0.0 0
M  V30 17 C -1.299 -2.9999 0.0 0
M  V30 18 N -4.0246 -0.2864 0.0 0
M  V30 19 N -2.598 -2.2499 0.0 0
M  V30 20 O -1.299 -4.4999 0.0 0
M  V30 21 C -4.9063 -1.4999 0.0 0
M  V30 22 N -4.0246 -2.7135 0.0 0
M  V30 23 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 7
M  V30 8 1 8 9 CFG=3
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 21 23
M  V30 23 1 6 7
M  V30 24 1 17 19
M  V30 25 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001654539813

>  <name>
NA

>  <smiles>
OCC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccc(F)cc1

$$$$
ZINC001080612704
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 -0.5 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 N 4.3301 1.0 0.0 0
M  V30 4 C 3.4641 -0.4999 0.0 0
M  V30 5 C 3.4641 1.5 0.0 0
M  V30 6 C 2.598 0.0 0.0 0
M  V30 7 O 3.4641 2.5 0.0 0
M  V30 8 C 2.598 1.0 0.0 0
M  V30 9 C 1.732 -0.5 0.0 0
M  V30 10 O 1.732 -1.5 0.0 0
M  V30 11 N 0.866 0.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C -0.9135 -0.0932 0.0 0
M  V30 14 C -0.1045 -1.4945 0.0 0
M  V30 15 C -1.5826 -0.8364 0.0 0
M  V30 16 C -1.1214 0.8848 0.0 0
M  V30 17 N -1.0826 -1.7024 0.0 0
M  V30 18 C -1.4894 -2.6159 0.0 0
M  V30 19 C -2.4839 -2.7205 0.0 0
M  V30 20 O -3.0717 -1.9114 0.0 0
M  V30 21 N -2.8906 -3.634 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 6 8
M  V30 22 1 15 17
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001080612704

>  <name>
NA

>  <smiles>
CC1CN(CC(N)=O)CC1NC(O)c1cc(O)[nH]c(=O)c1

$$$$
ZINC001638603600
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 19 20 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 2.4999 0.0 0
M  V30 2 C 5.1961 1.4999 0.0 0
M  V30 3 C 4.3301 1.0 0.0 0
M  V30 4 C 6.0621 0.9999 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 N 5.1961 -0.5 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0
M  V30 9 N 2.598 0.0 0.0 0
M  V30 10 C 1.732 -0.5 0.0 0
M  V30 11 O 1.732 -1.5 0.0 0
M  V30 12 C 0.866 0.0 0.0 0 CFG=2
M  V30 13 O 0.866 1.0 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0
M  V30 15 N -0.866 0.0 0.0 0
M  V30 16 C 0.0 -1.4999 0.0 0
M  V30 17 C -1.732 -0.4999 0.0 0
M  V30 18 C -0.866 -1.9999 0.0 0
M  V30 19 C -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 2 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 12 10
M  V30 12 1 12 13 CFG=1
M  V30 13 1 12 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 2 17 19
M  V30 19 1 6 7
M  V30 20 1 18 19
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001638603600

>  <name>
NA

>  <smiles>
OC(C(=O)NCc1cc(=O)cc[nH]1)c1ccccn1

$$$$
ZINC001362591606
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 9.0932 -4.5 0.0 0
M  V30 2 C 9.0932 -3.0 0.0 0
M  V30 3 C 10.3923 -2.25 0.0 0
M  V30 4 C 7.7942 -2.2499 0.0 0
M  V30 5 O 11.6913 -3.0 0.0 0
M  V30 6 C 10.3923 -0.75 0.0 0
M  V30 7 C 7.7942 -0.75 0.0 0
M  V30 8 C 9.0932 0.0 0.0 0
M  V30 9 C 6.4951 0.0 0.0 0
M  V30 10 C 5.1961 -0.75 0.0 0
M  V30 11 O 5.1961 -2.25 0.0 0
M  V30 12 N 3.8971 0.0 0.0 0
M  V30 13 C 2.598 -0.75 0.0 0
M  V30 14 C 1.299 0.0 0.0 0 CFG=2
M  V30 15 O 1.299 1.5 0.0 0
M  V30 16 C 0.0 -0.75 0.0 0
M  V30 17 C -1.299 0.0 0.0 0
M  V30 18 C 0.0 -2.2499 0.0 0
M  V30 19 C -2.598 -0.7499 0.0 0
M  V30 20 C -1.299 -2.9999 0.0 0
M  V30 21 C -2.598 -2.2499 0.0 0
M  V30 22 F -3.8971 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 6 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 1 14 13
M  V30 14 1 14 15 CFG=1
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 2 19 21
M  V30 21 1 21 22
M  V30 22 1 7 8
M  V30 23 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001362591606

>  <name>
NA

>  <smiles>
OC(CNC(=O)Cc1ccc(O)c(Cl)c1)c1ccc(F)cc1

$$$$
ZINC001391811842
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -5.0 0.0 0
M  V30 2 C 2.598 -4.0 0.0 0
M  V30 3 N 3.4641 -3.5 0.0 0
M  V30 4 C 1.732 -3.5 0.0 0
M  V30 5 C 3.4641 -2.5 0.0 0
M  V30 6 C 1.732 -2.5 0.0 0
M  V30 7 C 2.598 -2.0 0.0 0
M  V30 8 C 4.3301 -2.0 0.0 0
M  V30 9 C 0.866 -2.0 0.0 0
M  V30 10 C 4.3301 -1.0 0.0 0
M  V30 11 O 0.0 -2.5 0.0 0
M  V30 12 N 0.866 -1.0 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0
M  V30 14 C -0.866 0.0 0.0 0
M  V30 15 C 0.0 -1.4999 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C -1.732 -0.4999 0.0 0
M  V30 18 C -0.866 1.0 0.0 0
M  V30 19 C -0.866 -1.9999 0.0 0
M  V30 20 N 1.732 -0.5 0.0 0
M  V30 21 C -1.732 -1.4999 0.0 0
M  V30 22 C 2.598 0.0 0.0 0
M  V30 23 C 3.4641 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 1 17 21
M  V30 21 1 20 22
M  V30 22 1 22 23
M  V30 23 1 6 7
M  V30 24 1 19 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001391811842

>  <name>
NA

>  <smiles>
CCNCC1(CCCCC1C)NC(=O)c1cc(CC)[nH]c(=O)c1

$$$$
ZINC001328483386
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 6.4951 -4.5 0.0 0
M  V30 2 C 6.4951 -3.0 0.0 0
M  V30 3 C 7.7942 -2.25 0.0 0
M  V30 4 C 5.1961 -2.25 0.0 0
M  V30 5 N 7.7942 -0.75 0.0 0
M  V30 6 C 5.1961 -0.75 0.0 0
M  V30 7 C 6.4951 0.0 0.0 0
M  V30 8 C 3.8971 0.0 0.0 0 CFG=1
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 3.8971 1.5 0.0 0
M  V30 11 C 1.299 0.0 0.0 0
M  V30 12 C 4.6471 2.799 0.0 0
M  V30 13 C 3.1471 2.799 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 N -1.299 0.0 0.0 0
M  V30 16 C 0.0 -2.2499 0.0 0
M  V30 17 C -2.598 -0.7499 0.0 0
M  V30 18 C -1.299 -2.9999 0.0 0
M  V30 19 N -4.0246 -0.2864 0.0 0
M  V30 20 N -2.598 -2.2499 0.0 0
M  V30 21 O -1.299 -4.4999 0.0 0
M  V30 22 C -4.9063 -1.4999 0.0 0
M  V30 23 N -4.0246 -2.7135 0.0 0
M  V30 24 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 6
M  V30 8 1 8 9 CFG=1
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 1 14 15
M  V30 15 2 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 22 24
M  V30 24 1 6 7
M  V30 25 1 12 13
M  V30 26 1 18 20
M  V30 27 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001328483386

>  <name>
NA

>  <smiles>
Brc1cncc(c1)C(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)C1CC1

$$$$
ZINC000621287092
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -3.0 0.0 0
M  V30 2 C 2.598 -1.9999 0.0 0
M  V30 3 N 3.4641 -1.4999 0.0 0
M  V30 4 C 1.732 -1.4999 0.0 0
M  V30 5 N 4.4151 -1.809 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 C 5.0029 -0.9999 0.0 0
M  V30 9 N 4.4151 -0.1909 0.0 0
M  V30 10 N 2.598 0.0 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 N 6.0029 -0.9999 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 C -1.5826 -0.8364 0.0 0
M  V30 17 C -1.2225 0.8577 0.0 0
M  V30 18 C -1.0826 -1.7024 0.0 0 CFG=2
M  V30 19 C -2.5608 -0.6284 0.0 0
M  V30 20 C -2.2007 1.0657 0.0 0
M  V30 21 C -1.4894 -2.6159 0.0 0
M  V30 22 C -2.8698 0.3225 0.0 0
M  V30 23 C -2.4839 -2.7205 0.0 0
M  V30 24 C -0.9016 -3.4249 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 18 15
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21 CFG=1
M  V30 21 2 19 22
M  V30 22 1 21 23
M  V30 23 1 21 24
M  V30 24 1 7 10
M  V30 25 1 8 9
M  V30 26 1 16 18
M  V30 27 1 20 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 18)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000621287092

>  <name>
NA

>  <smiles>
CC(C)C1CN(Cc2cc(=O)n3[nH]c(=N)nc3[nH]2)c2ccccc12

$$$$
ZINC001038140949
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 9.0932 0.0 0.0 0
M  V30 2 C 7.7942 -0.75 0.0 0
M  V30 3 N 6.4951 0.0 0.0 0
M  V30 4 C 7.7942 -2.2499 0.0 0
M  V30 5 C 5.1961 -0.75 0.0 0
M  V30 6 C 6.4951 -3.0 0.0 0
M  V30 7 C 3.8971 0.0 0.0 0
M  V30 8 C 5.1961 -2.2499 0.0 0
M  V30 9 O 3.8971 1.5 0.0 0
M  V30 10 N 2.598 -0.75 0.0 0
M  V30 11 C 1.299 0.0 0.0 0
M  V30 12 C 0.0 -0.75 0.0 0
M  V30 13 N -1.4488 -0.3617 0.0 0
M  V30 14 C -0.3882 -2.1988 0.0 0
M  V30 15 C -1.8371 -1.8106 0.0 0
M  V30 16 C -2.1988 0.9372 0.0 0
M  V30 17 C -3.6988 0.9372 0.0 0
M  V30 18 O -4.4488 -0.3617 0.0 0
M  V30 19 C -4.4488 2.2363 0.0 0
M  V30 20 N -5.9488 2.2363 0.0 0
M  V30 21 N -6.8305 3.4498 0.0 0
M  V30 22 C -6.8305 1.0227 0.0 0
M  V30 23 C -8.2571 2.9863 0.0 0
M  V30 24 C -8.2571 1.4863 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 2 7 9
M  V30 9 1 7 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 2 22 24
M  V30 24 1 6 8
M  V30 25 1 14 15
M  V30 26 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001038140949

>  <name>
NA

>  <smiles>
OC(CN1CCC1CNC(=O)c1cccc(=O)[nH]1)Cn1cccn1

$$$$
ZINC001580135187
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 0.0 0.0 0
M  V30 2 C 6.9282 -0.5 0.0 0
M  V30 3 C 6.0621 0.0 0.0 0
M  V30 4 C 6.9282 -1.5 0.0 0
M  V30 5 C 5.1961 -0.5 0.0 0
M  V30 6 C 6.0621 -2.0 0.0 0
M  V30 7 N 5.1961 -1.5 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 N 3.4641 -0.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 O 2.598 1.0 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0 CFG=1
M  V30 13 N 1.732 -1.5 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 O -0.9135 -0.0932 0.0 0
M  V30 17 C -0.1045 -1.4945 0.0 0
M  V30 18 C -1.5826 -0.8364 0.0 0
M  V30 19 C -1.0826 -1.7024 0.0 0
M  V30 20 C -2.5826 -0.8364 0.0 0
M  V30 21 C -1.5826 -2.5684 0.0 0
M  V30 22 C -3.0826 -1.7024 0.0 0
M  V30 23 C -2.5826 -2.5684 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 2 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 12 10
M  V30 12 1 12 13 CFG=1
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 2 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 2 21 23
M  V30 23 1 6 7
M  V30 24 2 18 19
M  V30 25 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001580135187

>  <name>
NA

>  <smiles>
NC(Cc1cc2ccccc2o1)C(=O)NCc1cc(=O)cc[nH]1

$$$$
ZINC000621274331
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.4952 -4.5 0.0 0
M  V30 2 C 6.4952 -3.0 0.0 0
M  V30 3 N 7.7942 -2.25 0.0 0
M  V30 4 C 5.1961 -2.25 0.0 0
M  V30 5 N 9.2208 -2.7135 0.0 0
M  V30 6 C 7.7942 -0.75 0.0 0
M  V30 7 C 5.1961 -0.75 0.0 0
M  V30 8 C 10.1025 -1.5 0.0 0
M  V30 9 N 9.2208 -0.2864 0.0 0
M  V30 10 N 6.4952 0.0 0.0 0
M  V30 11 C 3.8971 0.0 0.0 0
M  V30 12 N 11.6025 -1.5 0.0 0
M  V30 13 N 2.598 -0.75 0.0 0
M  V30 14 C 1.299 0.0 0.0 0
M  V30 15 C 0.0 -0.75 0.0 0
M  V30 16 C 2.049 1.299 0.0 0
M  V30 17 C 0.549 1.299 0.0 0
M  V30 18 C -1.299 0.0 0.0 0
M  V30 19 C 0.0 -2.25 0.0 0
M  V30 20 C -2.598 -0.75 0.0 0
M  V30 21 C -1.299 -3.0 0.0 0
M  V30 22 C -2.598 -2.25 0.0 0
M  V30 23 C -3.8971 -3.0 0.0 0
M  V30 24 C -3.8971 -4.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 15 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 22 23
M  V30 23 1 23 24
M  V30 24 1 7 10
M  V30 25 1 8 9
M  V30 26 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000621274331

>  <name>
NA

>  <smiles>
CCc1ccc(cc1)C(C)(C)NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC001015836901
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 5.7511 1.4773 0.0 0
M  V30 2 C 6.6646 1.884 0.0 0
M  V30 3 C 5.082 2.2205 0.0 0
M  V30 4 C 7.5307 1.384 0.0 0
M  V30 5 C 6.5601 2.8786 0.0 0
M  V30 6 C 5.582 3.0865 0.0 0
M  V30 7 C 4.0874 2.1159 0.0 0
M  V30 8 N 8.3967 0.884 0.0 0
M  V30 9 N 3.6807 1.2024 0.0 0
M  V30 10 C 2.7026 0.9945 0.0 0
M  V30 11 C 4.1807 0.3364 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 C 3.5116 -0.4067 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 O -2.598 0.0 0.0 0
M  V30 23 N -1.732 -1.4999 0.0 0
M  V30 24 O -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 2 4
M  V30 4 2 2 5
M  V30 5 2 3 6
M  V30 6 1 3 7
M  V30 7 3 4 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 21 24
M  V30 24 1 5 6
M  V30 25 1 12 13
M  V30 26 1 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001015836901

>  <name>
NA

>  <smiles>
OC(NC1CCN(Cc2ccc(s2)C#N)C1)c1cc(O)[nH]c(=O)c1

$$$$
ZINC001210266956
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 1.0 0.0 0
M  V30 2 C 2.598 0.0 0.0 0
M  V30 3 C 1.732 -0.5 0.0 0
M  V30 4 C 3.4641 -0.4999 0.0 0
M  V30 5 N 0.866 0.0 0.0 0
M  V30 6 C 1.732 -1.5 0.0 0
M  V30 7 C 3.4641 -1.4999 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 C 2.598 -1.9999 0.0 0
M  V30 10 O 4.3301 -1.9999 0.0 0
M  V30 11 C -0.866 0.0 0.0 0
M  V30 12 C 0.0 -1.4999 0.0 0
M  V30 13 C -1.732 -0.4999 0.0 0
M  V30 14 C -0.866 -1.9999 0.0 0
M  V30 15 N -2.598 0.0 0.0 0
M  V30 16 N -1.732 -1.4999 0.0 0
M  V30 17 C -2.598 1.0 0.0 0
M  V30 18 C -3.4641 -0.4999 0.0 0
M  V30 19 C -3.4641 1.5 0.0 0
M  V30 20 C -4.3301 0.0 0.0 0
M  V30 21 N -4.3301 1.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8 CFG=2
M  V30 8 2 6 9
M  V30 9 1 7 10
M  V30 10 1 8 11
M  V30 11 1 8 12
M  V30 12 2 11 13
M  V30 13 2 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 7 9
M  V30 22 1 14 16
M  V30 23 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001210266956

>  <name>
NA

>  <smiles>
Oc1ccc(N=c2cc[nH]c(c2)N2CCNCC2)c(O)c1

$$$$
ZINC000155297965
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 10.3923 2.2499 0.0 0
M  V30 2 C 9.0932 1.4999 0.0 0
M  V30 3 C 7.7942 2.2499 0.0 0
M  V30 4 C 9.0932 0.0 0.0 0
M  V30 5 F 7.7942 3.7499 0.0 0
M  V30 6 C 6.4951 1.5 0.0 0
M  V30 7 C 7.7942 -0.75 0.0 0
M  V30 8 C 6.4951 0.0 0.0 0
M  V30 9 C 5.1961 -0.75 0.0 0 CFG=1
M  V30 10 O 5.1961 -2.25 0.0 0
M  V30 11 C 3.8971 0.0 0.0 0
M  V30 12 N 2.598 -0.75 0.0 0
M  V30 13 C 1.299 0.0 0.0 0
M  V30 14 O 1.299 1.5 0.0 0
M  V30 15 C 0.0 -0.75 0.0 0
M  V30 16 C -1.299 0.0 0.0 0
M  V30 17 C 0.0 -2.2499 0.0 0
M  V30 18 C -2.598 -0.7499 0.0 0
M  V30 19 C -1.299 -2.9999 0.0 0
M  V30 20 O -4.0246 -0.2864 0.0 0
M  V30 21 C -2.598 -2.2499 0.0 0
M  V30 22 C -4.9063 -1.4999 0.0 0
M  V30 23 N -4.0246 -2.7135 0.0 0
M  V30 24 S -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 6 8
M  V30 8 1 9 8
M  V30 9 1 9 10 CFG=1
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 2 18 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 1 7 8
M  V30 25 1 19 21
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000155297965

>  <name>
NA

>  <smiles>
OC(CNC(=O)c1ccc2[nH]c(=S)oc2c1)c1ccc(Cl)c(F)c1

$$$$
ZINC001412986694
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 9.0461 -0.6816 0.0 0
M  V30 2 C 8.6393 0.2318 0.0 0
M  V30 3 F 9.2271 1.0408 0.0 0
M  V30 4 C 7.6448 0.3364 0.0 0
M  V30 5 N 7.1448 1.2024 0.0 0
M  V30 6 C 6.9757 -0.4067 0.0 0
M  V30 7 N 6.1667 0.9945 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 C 5.1961 -0.5 0.0 0
M  V30 10 O 5.1961 -1.4999 0.0 0
M  V30 11 N 4.3301 0.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0
M  V30 13 C 2.598 0.0 0.0 0 CFG=2
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 2.598 1.0 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 O 1.732 1.5 0.0 0
M  V30 18 O 0.866 1.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 O -0.9135 -0.0932 0.0 0
M  V30 21 C -0.1045 -1.4945 0.0 0
M  V30 22 C -1.5826 -0.8364 0.0 0
M  V30 23 N -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 4 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 13 12
M  V30 13 1 13 14 CFG=3
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 1 19 20
M  V30 20 2 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 7 8
M  V30 24 2 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001412986694

>  <name>
NA

>  <smiles>
OCC(CNC(=O)c1cc([nH]n1)C(F)F)NC(=O)c1cnco1

$$$$
ZINC001170508701
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 6.5664 -0.1398 0.0 0
M  V30 2 C 5.1961 -0.75 0.0 0
M  V30 3 C 7.5701 -1.2546 0.0 0
M  V30 4 N 5.3529 -2.2417 0.0 0
M  V30 5 C 3.8971 0.0 0.0 0 CFG=1
M  V30 6 C 6.8201 -2.5536 0.0 0
M  V30 7 N 2.598 -0.75 0.0 0
M  V30 8 C 3.8971 1.5 0.0 0
M  V30 9 C 1.299 0.0 0.0 0
M  V30 10 F 2.3971 1.5 0.0 0
M  V30 11 F 3.8971 3.0 0.0 0
M  V30 12 F 5.3971 1.5 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 N -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.2499 0.0 0
M  V30 16 C -2.598 -0.7499 0.0 0
M  V30 17 C -1.299 -2.9999 0.0 0
M  V30 18 N -4.0246 -0.2864 0.0 0
M  V30 19 N -2.598 -2.2499 0.0 0
M  V30 20 O -1.299 -4.4999 0.0 0
M  V30 21 C -4.9063 -1.4999 0.0 0
M  V30 22 N -4.0246 -2.7135 0.0 0
M  V30 23 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 5 2
M  V30 5 2 3 6
M  V30 6 1 5 7 CFG=1
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 8 12
M  V30 12 1 9 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 21 23
M  V30 23 1 4 6
M  V30 24 1 17 19
M  V30 25 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001170508701

>  <name>
NA

>  <smiles>
FC(F)(F)C(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1nccs1

$$$$
ZINC001456781715
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 2.4999 0.0 0
M  V30 2 C 6.9282 1.4999 0.0 0
M  V30 3 N 6.0621 0.9999 0.0 0
M  V30 4 N 7.7942 0.9999 0.0 0
M  V30 5 C 6.0621 0.0 0.0 0
M  V30 6 C 7.7942 0.0 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 C 6.9282 -0.5 0.0 0
M  V30 9 O 8.6602 -0.5 0.0 0
M  V30 10 O 5.1961 -1.4999 0.0 0
M  V30 11 N 4.3301 0.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 2.598 1.0 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 1.732 1.5 0.0 0
M  V30 18 O 0.866 1.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 O -0.9135 -0.0932 0.0 0
M  V30 21 C -0.1045 -1.4945 0.0 0
M  V30 22 C -1.5826 -0.8364 0.0 0
M  V30 23 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 2 6 9
M  V30 9 2 7 10
M  V30 10 1 7 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 1 19 20
M  V30 20 2 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 6 8
M  V30 24 2 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001456781715

>  <name>
NA

>  <smiles>
CCC(CNC(=O)c1cc(=O)[nH]c(=O)[nH]1)NC(O)c1ccco1

$$$$
ZINC000878712063
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.3657 -3.4249 0.0 0
M  V30 2 C 4.9535 -2.6159 0.0 0
M  V30 3 F 5.948 -2.7205 0.0 0
M  V30 4 C 4.5467 -1.7024 0.0 0
M  V30 5 N 5.0467 -0.8364 0.0 0
M  V30 6 C 3.5686 -1.4945 0.0 0
M  V30 7 N 4.3776 -0.0932 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0
M  V30 9 C 2.598 0.0 0.0 0
M  V30 10 O 2.598 1.0 0.0 0
M  V30 11 N 1.732 -0.5 0.0 0
M  V30 12 C 0.866 0.0 0.0 0 CFG=2
M  V30 13 C 0.866 1.0 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0
M  V30 15 C 0.0 1.4999 0.0 0
M  V30 16 C 1.732 1.5 0.0 0
M  V30 17 C 0.0 2.4999 0.0 0
M  V30 18 C 1.732 2.5 0.0 0
M  V30 19 C 0.866 3.0 0.0 0
M  V30 20 C -0.7431 3.1691 0.0 0
M  V30 21 N 0.6581 3.9781 0.0 0
M  V30 22 C -0.3364 4.0826 0.0 0
M  V30 23 C 1.3272 4.7212 0.0 0
M  V30 24 O -0.8364 4.9487 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 4 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 12 11 CFG=1
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 2 13 15
M  V30 15 1 13 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 2 7 8
M  V30 25 1 18 19
M  V30 26 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000878712063

>  <name>
NA

>  <smiles>
CC(NC(=O)c1cc([nH]n1)C(F)F)c1ccc2n(C)c(O)cc2c1

$$$$
ZINC001175063816
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 5.6172 -3.7385 0.0 0
M  V30 2 C 4.6227 -3.634 0.0 0
M  V30 3 C 4.2159 -2.7205 0.0 0
M  V30 4 C 4.0349 -4.443 0.0 0
M  V30 5 C 3.2214 -2.6159 0.0 0
M  V30 6 C 3.0404 -4.3385 0.0 0
M  V30 7 N 2.8147 -1.7024 0.0 0
M  V30 8 C 2.6336 -3.4249 0.0 0
M  V30 9 C 2.4526 -5.1475 0.0 0
M  V30 10 C 3.3147 -0.8364 0.0 0
M  V30 11 C 1.8365 -1.4945 0.0 0
M  V30 12 F 3.2616 -5.7353 0.0 0
M  V30 13 F 1.8648 -5.9565 0.0 0
M  V30 14 F 1.6436 -4.5597 0.0 0
M  V30 15 C 2.6455 -0.0932 0.0 0
M  V30 16 C 4.2928 -0.6284 0.0 0
M  V30 17 C 1.732 -0.5 0.0 0
M  V30 18 C 2.9546 0.8577 0.0 0
M  V30 19 C 4.6018 0.3225 0.0 0
M  V30 20 C 0.866 0.0 0.0 0
M  V30 21 C 3.9327 1.0657 0.0 0
M  V30 22 O 0.866 1.0 0.0 0
M  V30 23 N 0.0 -0.5 0.0 0
M  V30 24 N 4.2417 2.0167 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 1 7 11
M  V30 11 1 9 12
M  V30 12 1 9 13
M  V30 13 1 9 14
M  V30 14 2 10 15
M  V30 15 1 10 16
M  V30 16 2 11 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 21 24
M  V30 24 1 6 8
M  V30 25 1 15 17
M  V30 26 1 19 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001175063816

>  <name>
NA

>  <smiles>
NC(=O)c1cn(-c2cc(F)cc(c2)C(F)(F)F)c2ccc(N)cc12

$$$$
ZINC000855738413
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 5.5621 0.866 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 F 6.9282 0.4999 0.0 0
M  V30 4 F 6.5621 -0.866 0.0 0
M  V30 5 C 5.1961 -0.5 0.0 0
M  V30 6 C 4.3301 0.0 0.0 0
M  V30 7 C 5.1961 -1.4999 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0
M  V30 9 C 4.3301 -1.9999 0.0 0
M  V30 10 C 3.4641 -1.4999 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 O 2.598 1.0 0.0 0
M  V30 13 C 1.732 -0.5 0.0 0
M  V30 14 O 1.732 -1.5 0.0 0
M  V30 15 N 0.866 0.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 C -0.9135 -0.0932 0.0 0
M  V30 18 C -0.1045 -1.4945 0.0 0
M  V30 19 C -1.5826 -0.8364 0.0 0
M  V30 20 C -1.2225 0.8577 0.0 0
M  V30 21 C -1.0826 -1.7024 0.0 0
M  V30 22 C -2.5608 -0.6284 0.0 0
M  V30 23 C -2.2007 1.0657 0.0 0
M  V30 24 C -2.8698 0.3225 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 2 22 24
M  V30 24 1 9 10
M  V30 25 1 19 21
M  V30 26 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000855738413

>  <name>
NA

>  <smiles>
OC(C(=O)NC1CCc2ccccc12)c1cccc(c1)C(F)(F)F

$$$$
ZINC000621273836
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 9.0932 0.0 0.0 0
M  V30 2 C 7.7942 -0.75 0.0 0
M  V30 3 C 6.4952 0.0 0.0 0
M  V30 4 C 7.7942 -2.25 0.0 0
M  V30 5 C 5.1961 -0.75 0.0 0
M  V30 6 C 6.4952 -3.0 0.0 0
M  V30 7 C 5.1961 -2.25 0.0 0
M  V30 8 C 3.8971 0.0 0.0 0
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 4.6471 1.299 0.0 0
M  V30 11 C 3.1471 1.299 0.0 0
M  V30 12 C 1.299 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 N -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.25 0.0 0
M  V30 16 C -2.598 -0.75 0.0 0
M  V30 17 C -1.299 -3.0 0.0 0
M  V30 18 N -4.0246 -0.2864 0.0 0
M  V30 19 N -2.598 -2.25 0.0 0
M  V30 20 O -1.299 -4.5 0.0 0
M  V30 21 C -4.9063 -1.5 0.0 0
M  V30 22 N -4.0246 -2.7135 0.0 0
M  V30 23 N -6.4063 -1.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 21 23
M  V30 23 1 6 7
M  V30 24 1 17 19
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000621273836

>  <name>
NA

>  <smiles>
CC(C)(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1cccc(Cl)c1

$$$$
ZINC001210619824
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 10.4366 -1.2385 0.0 0
M  V30 2 C 9.6934 -1.9076 0.0 0
M  V30 3 N 8.7153 -1.6997 0.0 0
M  V30 4 N 9.7979 -2.9021 0.0 0
M  V30 5 C 8.2153 -2.5657 0.0 0
M  V30 6 C 8.3085 -0.7861 0.0 0
M  V30 7 N 8.8844 -3.3089 0.0 0
M  V30 8 O 7.2207 -2.6702 0.0 0
M  V30 9 C 7.314 -0.6816 0.0 0
M  V30 10 O 6.7262 -1.4906 0.0 0
M  V30 11 N 6.9073 0.2318 0.0 0
M  V30 12 C 5.9128 0.3364 0.0 0
M  V30 13 C 5.4128 1.2024 0.0 0
M  V30 14 C 5.2436 -0.4067 0.0 0
M  V30 15 C 4.4346 0.9945 0.0 0
M  V30 16 C 5.8195 2.1159 0.0 0
M  V30 17 N 4.3301 0.0 0.0 0
M  V30 18 C 3.4641 -0.5 0.0 0
M  V30 19 C 2.598 0.0 0.0 0
M  V30 20 C 1.732 -0.5 0.0 0
M  V30 21 C 0.866 0.0 0.0 0
M  V30 22 O 0.866 1.0 0.0 0
M  V30 23 C 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 1 21 22
M  V30 22 1 21 23
M  V30 23 1 5 7
M  V30 24 1 15 17
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001210619824

>  <name>
NA

>  <smiles>
CC(O)CCCN1CC(C)C(C1)NC(=O)Cn1c(=O)[nH][nH]c1=O

$$$$
ZINC001251249299
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 5.7451 1.299 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 F 7.7942 0.7499 0.0 0
M  V30 4 F 7.2451 -1.299 0.0 0
M  V30 5 C 5.1961 -0.75 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0
M  V30 7 C 5.1961 -2.2499 0.0 0
M  V30 8 O 3.8971 1.5 0.0 0
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 3.8971 -3.0 0.0 0
M  V30 11 C 2.598 -2.25 0.0 0
M  V30 12 C 1.299 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 N -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.2499 0.0 0
M  V30 16 C -2.598 -0.7499 0.0 0
M  V30 17 C -1.299 -2.9999 0.0 0
M  V30 18 N -4.0246 -0.2864 0.0 0
M  V30 19 N -2.598 -2.2499 0.0 0
M  V30 20 O -1.299 -4.4999 0.0 0
M  V30 21 C -4.9063 -1.4999 0.0 0
M  V30 22 N -4.0246 -2.7135 0.0 0
M  V30 23 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 5 6
M  V30 6 2 5 7
M  V30 7 2 6 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 1 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 21 23
M  V30 23 2 10 11
M  V30 24 1 17 19
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001251249299

>  <name>
NA

>  <smiles>
FC(F)(F)c1cccn(Cc2cc(=O)n3[nH]c(=N)nc3[nH]2)c1=O

$$$$
ZINC001460240912
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.4033 -4.177 0.0 0
M  V30 2 C 6.8101 -3.2634 0.0 0
M  V30 3 N 7.8046 -3.1589 0.0 0
M  V30 4 C 6.2223 -2.4544 0.0 0
M  V30 5 N 8.5478 -3.828 0.0 0
M  V30 6 C 8.2113 -2.2453 0.0 0
M  V30 7 C 6.629 -1.5408 0.0 0
M  V30 8 C 9.4138 -3.328 0.0 0
M  V30 9 N 9.2059 -2.3499 0.0 0
M  V30 10 N 7.6236 -1.4363 0.0 0
M  V30 11 C 6.0412 -0.7318 0.0 0
M  V30 12 N 10.3273 -3.7347 0.0 0
M  V30 13 N 5.0467 -0.8364 0.0 0
M  V30 14 C 4.3776 -0.0932 0.0 0
M  V30 15 C 4.5467 -1.7024 0.0 0
M  V30 16 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 17 C 3.5686 -1.4945 0.0 0
M  V30 18 C 2.598 0.0 0.0 0
M  V30 19 C 1.732 -0.5 0.0 0
M  V30 20 C 0.866 0.0 0.0 0
M  V30 21 O 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 16 14
M  V30 16 1 15 17
M  V30 17 1 16 18 CFG=3
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 1 7 10
M  V30 22 1 8 9
M  V30 23 1 16 17
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 16)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001460240912

>  <name>
NA

>  <smiles>
OCCCC1CCN(Cc2cc(=O)n3[nH]c(=N)nc3[nH]2)C1

$$$$
ZINC001364395982
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -3.0 0.0 0
M  V30 2 C 2.598 -1.9999 0.0 0
M  V30 3 N 3.4641 -1.4999 0.0 0
M  V30 4 C 1.732 -1.4999 0.0 0
M  V30 5 N 4.4151 -1.809 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 C 5.0029 -0.9999 0.0 0
M  V30 9 N 4.4151 -0.1909 0.0 0
M  V30 10 N 2.598 0.0 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 N 6.0029 -0.9999 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 C -1.5826 -0.8364 0.0 0
M  V30 17 C -1.0826 -1.7024 0.0 0 CFG=1
M  V30 18 C -2.3916 -0.2486 0.0 0
M  V30 19 C -2.4962 -1.2431 0.0 0
M  V30 20 O -1.4894 -2.6159 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 17 15
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 1 17 20 CFG=3
M  V30 20 1 7 10
M  V30 21 1 8 9
M  V30 22 1 16 17
M  V30 23 1 18 19
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 17)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001364395982

>  <name>
NA

>  <smiles>
OC1CN(Cc2cc(=O)n3[nH]c(=N)nc3[nH]2)CC11CC1

$$$$
ZINC000332885588
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.8971 5.9999 0.0 0
M  V30 2 C 3.8971 4.4999 0.0 0
M  V30 3 N 5.1961 3.7499 0.0 0
M  V30 4 C 2.598 3.75 0.0 0
M  V30 5 C 5.1961 2.2499 0.0 0
M  V30 6 C 2.598 2.2499 0.0 0
M  V30 7 C 3.8971 1.4999 0.0 0
M  V30 8 C 6.4951 1.4999 0.0 0
M  V30 9 C 1.299 1.4999 0.0 0
M  V30 10 O 0.0 2.25 0.0 0
M  V30 11 N 1.299 0.0 0.0 0
M  V30 12 C 0.0 -0.75 0.0 0
M  V30 13 C 1.0606 -1.8106 0.0 0
M  V30 14 C -1.5 -0.7499 0.0 0
M  V30 15 C -0.75 -2.049 0.0 0
M  V30 16 C 0.6724 -3.2595 0.0 0
M  V30 17 C 2.5095 -1.4224 0.0 0
M  V30 18 C 1.733 -4.3202 0.0 0
M  V30 19 C 3.5702 -2.483 0.0 0
M  V30 20 O 1.6545 -5.8181 0.0 0
M  V30 21 C 3.1819 -3.9319 0.0 0
M  V30 22 C 3.0549 -6.3557 0.0 0
M  V30 23 O 3.9989 -5.1899 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 2 18 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 6 7
M  V30 24 1 14 15
M  V30 25 1 19 21
M  V30 26 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000332885588

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)NC1(CC1)c1ccc2OCOc2c1

$$$$
ZINC000735831777
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 10.3923 -6.75 0.0 0
M  V30 2 C 10.3923 -5.25 0.0 0
M  V30 3 N 11.6913 -4.5 0.0 0
M  V30 4 N 9.0932 -4.5 0.0 0
M  V30 5 C 11.6913 -3.0 0.0 0
M  V30 6 C 12.9903 -5.25 0.0 0
M  V30 7 C 9.0932 -3.0 0.0 0
M  V30 8 O 12.9903 -2.25 0.0 0
M  V30 9 C 10.3923 -2.25 0.0 0
M  V30 10 C 7.7942 -2.25 0.0 0
M  V30 11 C 10.3923 -0.75 0.0 0
M  V30 12 C 7.7942 -0.75 0.0 0
M  V30 13 C 9.0932 0.0 0.0 0
M  V30 14 C 6.4951 0.0 0.0 0
M  V30 15 O 6.4951 1.5 0.0 0
M  V30 16 N 5.1961 -0.75 0.0 0
M  V30 17 C 3.8971 0.0 0.0 0
M  V30 18 C 2.598 -0.75 0.0 0
M  V30 19 C 1.299 0.0 0.0 0 CFG=2
M  V30 20 O 1.299 1.5 0.0 0
M  V30 21 C 0.0 -0.75 0.0 0
M  V30 22 F 0.7499 -2.049 0.0 0
M  V30 23 F -1.299 -1.4999 0.0 0
M  V30 24 F -0.7499 0.549 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 2 5 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 1 9 11
M  V30 11 2 10 12
M  V30 12 2 11 13
M  V30 13 1 12 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 1 19 18
M  V30 19 1 19 20 CFG=1
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 1 21 23
M  V30 23 1 21 24
M  V30 24 2 7 9
M  V30 25 1 12 13
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 19)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000735831777

>  <name>
NA

>  <smiles>
Cn1c(=S)[nH]c2cc(ccc2c1=O)C(=O)NCCC(O)C(F)(F)F

$$$$
ZINC001393494408
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 11.0156 -1.1159 0.0 0
M  V30 2 C 10.6089 -0.2024 0.0 0
M  V30 3 C 11.1089 0.6635 0.0 0
M  V30 4 C 9.6308 0.0054 0.0 0
M  V30 5 N 10.4398 1.4067 0.0 0
M  V30 6 C 9.5262 0.9999 0.0 0
M  V30 7 C 8.6602 1.4999 0.0 0
M  V30 8 O 8.6602 2.4999 0.0 0
M  V30 9 N 7.7942 0.9999 0.0 0
M  V30 10 C 6.9282 1.4999 0.0 0
M  V30 11 C 6.0621 0.9999 0.0 0
M  V30 12 C 5.1961 1.4999 0.0 0
M  V30 13 C 6.0621 0.0 0.0 0
M  V30 14 C 4.3301 0.9999 0.0 0
M  V30 15 C 5.1961 -0.5 0.0 0
M  V30 16 C 4.3301 0.0 0.0 0
M  V30 17 C 3.4641 -0.5 0.0 0
M  V30 18 N 2.598 0.0 0.0 0
M  V30 19 C 3.4641 -1.5 0.0 0
M  V30 20 C 1.732 -0.5 0.0 0
M  V30 21 C 0.866 0.0 0.0 0
M  V30 22 C 1.732 -1.5 0.0 0
M  V30 23 O 0.866 1.0 0.0 0
M  V30 24 N 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 2 13 15
M  V30 15 2 14 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 21 24
M  V30 24 1 5 6
M  V30 25 1 15 16
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001393494408

>  <name>
NA

>  <smiles>
CC(NC(C)c1ccc(CNC(=O)c2cc(F)c[nH]2)cc1)C(N)=O

$$$$
ZINC001540966897
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 19 20 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 5.1961 1.5 0.0 0
M  V30 2 C 4.3301 1.0 0.0 0
M  V30 3 C 3.4641 1.5 0.0 0
M  V30 4 C 4.3301 0.0 0.0 0
M  V30 5 C 2.598 0.9999 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 O 1.732 1.4999 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 N 1.732 -0.5 0.0 0
M  V30 10 C 0.866 0.0 0.0 0 CFG=1
M  V30 11 O 0.866 1.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 N -0.866 0.0 0.0 0
M  V30 14 C 0.0 -1.4999 0.0 0
M  V30 15 C -1.732 -0.4999 0.0 0
M  V30 16 C -0.866 -1.9999 0.0 0
M  V30 17 O -2.598 0.0 0.0 0
M  V30 18 N -1.732 -1.4999 0.0 0
M  V30 19 O -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 8 9
M  V30 9 1 10 9
M  V30 10 1 10 11 CFG=3
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 2 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 1 6 8
M  V30 20 1 16 18
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 10)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001540966897

>  <name>
NA

>  <smiles>
OC(Nc1ccc(Br)cc1O)c1cc(=O)[nH]c(=O)[nH]1

$$$$
ZINC001412675807
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.0621 -1.9999 0.0 0
M  V30 2 C 5.1961 -1.4999 0.0 0
M  V30 3 N 5.1961 -0.5 0.0 0
M  V30 4 C 4.3301 -1.9999 0.0 0
M  V30 5 N 4.3301 0.0 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 3.4641 -1.5 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0
M  V30 9 C 6.0621 0.9999 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 O 2.598 1.0 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 C 1.732 -1.5 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 N -0.866 0.0 0.0 0
M  V30 17 C 0.0 -1.4999 0.0 0
M  V30 18 C -1.732 -0.4999 0.0 0
M  V30 19 C -0.866 -1.9999 0.0 0
M  V30 20 O -2.598 0.0 0.0 0
M  V30 21 C -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 2 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 7 8
M  V30 22 2 19 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001412675807

>  <name>
NA

>  <smiles>
CCn1nc(ccc1=O)C(=O)N(C)Cc1cccc(=O)[nH]1

$$$$
ZINC001434485727
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.5216 -4.5182 0.0 0
M  V30 2 C 6.5216 -3.0121 0.0 0
M  V30 3 N 7.8259 -2.2591 0.0 0
M  V30 4 C 5.2172 -2.2591 0.0 0
M  V30 5 N 9.2583 -2.7245 0.0 0
M  V30 6 C 7.8259 -0.753 0.0 0
M  V30 7 C 5.2172 -0.753 0.0 0
M  V30 8 C 10.1435 -1.506 0.0 0
M  V30 9 N 9.2583 -0.2876 0.0 0
M  V30 10 N 6.5216 0.0 0.0 0
M  V30 11 C 3.9129 0.0 0.0 0
M  V30 12 N 11.6496 -1.506 0.0 0
M  V30 13 N 2.6086 -0.753 0.0 0
M  V30 14 C 1.3173 -0.099 0.0 0
M  V30 15 C 0.0 -0.753 0.0 0
M  V30 16 C -0.1965 0.7401 0.0 0
M  V30 17 C -0.3898 -2.2078 0.0 0
M  V30 18 C -1.4547 -0.3632 0.0 0
M  V30 19 O 1.2321 0.5484 0.0 0
M  V30 20 C -1.3914 1.657 0.0 0
M  V30 21 C 0.7202 1.935 0.0 0
M  V30 22 C -1.8445 -1.818 0.0 0
M  V30 23 C -0.4745 2.8518 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 16 20
M  V30 20 1 16 21
M  V30 21 1 17 22
M  V30 22 1 20 23
M  V30 23 1 7 10
M  V30 24 1 8 9
M  V30 25 1 18 22
M  V30 26 1 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001434485727

>  <name>
NA

>  <smiles>
OC1(CCC1)C1(CNCc2cc(=O)n3[nH]c(=N)nc3[nH]2)CCC1

$$$$
ZINC001142240574
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 4.0874 2.1159 0.0 0
M  V30 2 C 3.6807 1.2024 0.0 0
M  V30 3 S 2.7026 0.9945 0.0 0
M  V30 4 C 4.1807 0.3364 0.0 0
M  V30 5 C 2.598 0.0 0.0 0
M  V30 6 C 3.5116 -0.4067 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 C 0.866 0.0 0.0 0
M  V30 9 O 0.866 1.0 0.0 0
M  V30 10 N 0.0 -0.5 0.0 0
M  V30 11 C 0.0 -1.4999 0.0 0
M  V30 12 C -0.866 0.0 0.0 0
M  V30 13 C -0.866 -1.9999 0.0 0 CFG=2
M  V30 14 C -1.732 -0.4999 0.0 0
M  V30 15 N -1.732 -1.4999 0.0 0
M  V30 16 C -1.0739 -2.9781 0.0 0
M  V30 17 C -2.4751 -2.1691 0.0 0
M  V30 18 C -2.0684 -3.0826 0.0 0
M  V30 19 C -0.4861 -3.7871 0.0 0
M  V30 20 O -3.4533 -1.9612 0.0 0
M  V30 21 C -2.4751 -3.9962 0.0 0
M  V30 22 C -0.8928 -4.7007 0.0 0
M  V30 23 C -1.8874 -4.8052 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 13 11
M  V30 13 1 12 14
M  V30 14 1 13 15 CFG=1
M  V30 15 1 13 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 2 21 23
M  V30 23 2 5 6
M  V30 24 1 14 15
M  V30 25 1 17 18
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001142240574

>  <name>
NA

>  <smiles>
Clc1ccc(CC(=O)N2CCN3C(C2)c2ccccc2C3=O)s1

$$$$
ZINC001208933922
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 10.1165 -2.7178 0.0 0
M  V30 2 C 9.7098 -1.8042 0.0 0
M  V30 3 N 10.2976 -0.9952 0.0 0
M  V30 4 N 8.7153 -1.6997 0.0 0
M  V30 5 C 9.8908 -0.0817 0.0 0
M  V30 6 C 8.3085 -0.7861 0.0 0
M  V30 7 O 10.4786 0.7273 0.0 0
M  V30 8 C 8.8963 0.0228 0.0 0
M  V30 9 C 7.314 -0.6816 0.0 0
M  V30 10 O 6.7262 -1.4906 0.0 0
M  V30 11 N 6.9073 0.2318 0.0 0
M  V30 12 C 5.9128 0.3364 0.0 0
M  V30 13 C 5.4128 1.2024 0.0 0
M  V30 14 C 5.2436 -0.4067 0.0 0
M  V30 15 C 4.4346 0.9945 0.0 0
M  V30 16 C 5.8195 2.1159 0.0 0
M  V30 17 N 4.3301 0.0 0.0 0
M  V30 18 C 3.4641 -0.5 0.0 0
M  V30 19 C 2.598 0.0 0.0 0
M  V30 20 O 2.598 1.0 0.0 0
M  V30 21 N 1.732 -0.5 0.0 0
M  V30 22 C 0.866 0.0 0.0 0
M  V30 23 C 0.866 1.0 0.0 0
M  V30 24 C 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 22 24
M  V30 24 2 6 8
M  V30 25 1 15 17
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001208933922

>  <name>
NA

>  <smiles>
CC(C)NC(=O)CN1CC(C)C(C1)NC(O)c1cc(=O)[nH]c(=O)[nH]1

$$$$
ZINC001565910909
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 9.0932 -3.0 0.0 0
M  V30 2 C 7.7942 -2.2499 0.0 0
M  V30 3 N 7.7942 -0.75 0.0 0
M  V30 4 C 6.4951 -2.9999 0.0 0
M  V30 5 C 6.4951 0.0 0.0 0
M  V30 6 C 5.1961 -2.25 0.0 0
M  V30 7 C 5.1961 -0.75 0.0 0
M  V30 8 C 3.8971 0.0 0.0 0
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 1.299 0.0 0.0 0
M  V30 11 O 1.299 1.5 0.0 0
M  V30 12 C 0.0 -0.75 0.0 0
M  V30 13 C -1.3703 -0.1398 0.0 0
M  V30 14 C -0.1567 -2.2417 0.0 0
M  V30 15 N -2.374 -1.2546 0.0 0
M  V30 16 C -1.6821 1.3273 0.0 0
M  V30 17 N -1.624 -2.5536 0.0 0
M  V30 18 C -0.5674 2.331 0.0 0
M  V30 19 C -3.1087 1.7908 0.0 0
M  V30 20 C -2.2341 -3.9239 0.0 0
M  V30 21 C -0.8793 3.7982 0.0 0
M  V30 22 C -3.4206 3.258 0.0 0
M  V30 23 C -1.3524 -5.1374 0.0 0
M  V30 24 C -2.3059 4.2617 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 2 12 14
M  V30 14 2 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 1 20 23
M  V30 23 2 21 24
M  V30 24 1 6 7
M  V30 25 1 15 17
M  V30 26 1 22 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001565910909

>  <name>
NA

>  <smiles>
CCn1cc(C(=O)NCc2ccc(=O)[nH]c2)c(n1)-c1ccccc1

$$$$
ZINC001144636891
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 7.7942 -3.0 0.0 0
M  V30 2 C 7.7942 -2.0 0.0 0
M  V30 3 C 8.6602 -1.5 0.0 0
M  V30 4 C 6.9282 -1.4999 0.0 0
M  V30 5 O 9.5262 -2.0 0.0 0
M  V30 6 C 8.6602 -0.5 0.0 0
M  V30 7 C 6.9282 -0.5 0.0 0
M  V30 8 C 7.7942 0.0 0.0 0
M  V30 9 C 6.0621 0.0 0.0 0
M  V30 10 C 5.1961 -0.5 0.0 0
M  V30 11 O 5.1961 -1.4999 0.0 0
M  V30 12 N 4.3301 0.0 0.0 0
M  V30 13 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 C 3.4641 -1.5 0.0 0
M  V30 16 O 2.598 1.0 0.0 0
M  V30 17 O 1.732 -0.5 0.0 0
M  V30 18 C 2.598 -2.0 0.0 0
M  V30 19 C 0.866 0.0 0.0 0
M  V30 20 N 2.4935 -2.9945 0.0 0
M  V30 21 C 1.6845 -1.5932 0.0 0
M  V30 22 C 0.0 -0.5 0.0 0
M  V30 23 C 1.5154 -3.2024 0.0 0
M  V30 24 N 1.0154 -2.3364 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 6 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 13 12 CFG=1
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 21 24
M  V30 24 1 7 8
M  V30 25 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001144636891

>  <name>
NA

>  <smiles>
CCOC(=O)C(Cc1c[nH]cn1)NC(=O)Cc1ccc(O)c(F)c1

$$$$
ZINC000539698236
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 5.1961 -3.5 0.0 0
M  V30 2 C 4.3301 -3.0 0.0 0
M  V30 3 C 4.3301 -2.0 0.0 0
M  V30 4 C 3.4641 -3.5 0.0 0
M  V30 5 C 3.4641 -1.5 0.0 0
M  V30 6 C 2.598 -3.0 0.0 0
M  V30 7 C 2.598 -2.0 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 C 5.1961 -0.5 0.0 0
M  V30 12 C 4.3301 1.0 0.0 0
M  V30 13 O 2.598 1.0 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 N -0.866 0.0 0.0 0
M  V30 18 C 0.0 -1.4999 0.0 0
M  V30 19 C -1.732 -0.4999 0.0 0
M  V30 20 C -0.866 -1.9999 0.0 0
M  V30 21 O -2.598 0.0 0.0 0
M  V30 22 C -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 5
M  V30 8 1 8 9 CFG=3
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 9 12
M  V30 12 2 10 13
M  V30 13 1 10 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 6 7
M  V30 23 2 20 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000539698236

>  <name>
NA

>  <smiles>
CN(C)C(C(=O)NCc1cccc(=O)[nH]1)c1cccc(Cl)c1

$$$$
ZINC001732232858
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.3685 -3.3368 0.0 0
M  V30 2 C 5.032 -4.0178 0.0 0
M  V30 3 N 4.9535 -5.5157 0.0 0
M  V30 4 C 3.774 -3.2008 0.0 0
M  V30 5 C 3.617 -6.1967 0.0 0
M  V30 6 C 2.4375 -3.8818 0.0 0
M  V30 7 C 2.359 -5.3798 0.0 0
M  V30 8 C 3.5385 -7.6947 0.0 0
M  V30 9 C 1.1795 -3.0649 0.0 0 CFG=2
M  V30 10 C 1.0224 -6.0607 0.0 0
M  V30 11 C 2.2019 -8.3756 0.0 0
M  V30 12 O -0.157 -3.7458 0.0 0
M  V30 13 N 1.258 -1.5669 0.0 0
M  V30 14 C 0.9439 -7.5587 0.0 0
M  V30 15 C 0.0 -0.75 0.0 0
M  V30 16 C -1.3703 -0.1398 0.0 0
M  V30 17 C -0.1567 -2.2417 0.0 0
M  V30 18 C 1.299 0.0 0.0 0
M  V30 19 C -2.374 -1.2546 0.0 0
M  V30 20 C -1.624 -2.5536 0.0 0
M  V30 21 N 2.598 -0.75 0.0 0
M  V30 22 C 3.8971 0.0 0.0 0
M  V30 23 C 5.1961 -0.75 0.0 0
M  V30 24 O 6.4951 0.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 9 6
M  V30 9 1 7 10
M  V30 10 2 8 11
M  V30 11 1 9 12 CFG=3
M  V30 12 1 9 13
M  V30 13 2 10 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 23 24
M  V30 24 1 6 7
M  V30 25 1 11 14
M  V30 26 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001732232858

>  <name>
NA

>  <smiles>
OCCNCC1(CCCC1)NC(O)c1cc(=O)[nH]c2ccccc12

$$$$
ZINC000888752190
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.4641 2.5 0.0 0
M  V30 2 C 3.4641 2.5 0.0 0
M  V30 3 F 3.4641 3.5 0.0 0
M  V30 4 F 4.4641 2.5 0.0 0
M  V30 5 C 3.4641 1.5 0.0 0
M  V30 6 C 2.598 1.0 0.0 0
M  V30 7 C 4.3301 1.0 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 C 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.4999 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0 CFG=1
M  V30 12 O 1.732 -1.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 O 0.866 1.0 0.0 0
M  V30 15 N 0.0 -0.5 0.0 0
M  V30 16 C -0.9659 -0.2411 0.0 0
M  V30 17 C -0.2588 -1.4659 0.0 0
M  V30 18 C -1.2247 -1.2071 0.0 0
M  V30 19 N -2.0907 -1.7071 0.0 0
M  V30 20 C -3.0043 -1.3003 0.0 0
M  V30 21 C -2.1952 -2.7016 0.0 0
M  V30 22 O -3.2122 -0.3222 0.0 0
M  V30 23 C -3.6734 -2.0435 0.0 0
M  V30 24 C -3.1734 -2.9095 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 11 8
M  V30 11 1 11 12 CFG=1
M  V30 12 1 11 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 21 24
M  V30 24 1 9 10
M  V30 25 1 17 18
M  V30 26 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000888752190

>  <name>
NA

>  <smiles>
OC(C(=O)N1CC(C1)N1CCCC1=O)c1cccc(c1)C(F)(F)F

$$$$
ZINC000619968584
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -3.0 0.0 0
M  V30 2 C 2.598 -1.9999 0.0 0
M  V30 3 N 3.4641 -1.4999 0.0 0
M  V30 4 C 1.732 -1.4999 0.0 0
M  V30 5 N 4.4151 -1.809 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 C 5.0029 -0.9999 0.0 0
M  V30 9 N 4.4151 -0.1909 0.0 0
M  V30 10 N 2.598 0.0 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 N 6.0029 -0.9999 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 C -1.5826 -0.8364 0.0 0
M  V30 17 C -1.2225 0.8577 0.0 0
M  V30 18 C -1.0826 -1.7024 0.0 0
M  V30 19 C -2.5608 -0.6284 0.0 0
M  V30 20 C -2.2007 1.0657 0.0 0
M  V30 21 C -2.8698 0.3225 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 2 19 21
M  V30 21 1 7 10
M  V30 22 1 8 9
M  V30 23 1 16 18
M  V30 24 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000619968584

>  <name>
NA

>  <smiles>
N=c1nc2[nH]c(CN3CCc4ccccc34)cc(=O)n2[nH]1

$$$$
ZINC000988004002
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.5855 0.8848 0.0 0
M  V30 2 C 4.3776 -0.0932 0.0 0
M  V30 3 N 3.4641 -0.5 0.0 0
M  V30 4 N 5.0467 -0.8364 0.0 0
M  V30 5 C 3.5686 -1.4945 0.0 0
M  V30 6 C 2.598 0.0 0.0 0
M  V30 7 C 4.5467 -1.7024 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C 0.0 -0.5 0.0 0
M  V30 11 C -0.9135 -0.0932 0.0 0
M  V30 12 C -0.1045 -1.4945 0.0 0
M  V30 13 N -1.5826 -0.8364 0.0 0
M  V30 14 C -1.0826 -1.7024 0.0 0
M  V30 15 C -2.5771 -0.7318 0.0 0
M  V30 16 C -1.4894 -2.6159 0.0 0
M  V30 17 O -2.9839 0.1816 0.0 0
M  V30 18 C -3.1649 -1.5408 0.0 0
M  V30 19 C -4.1649 -1.5408 0.0 0
M  V30 20 C -2.8559 -2.4919 0.0 0
M  V30 21 N -4.474 -2.4919 0.0 0
M  V30 22 N -3.6649 -3.0797 0.0 0
M  V30 23 C -3.6649 -4.0797 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 6 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 18 19
M  V30 19 2 18 20
M  V30 20 2 19 21
M  V30 21 1 20 22
M  V30 22 1 22 23
M  V30 23 1 5 7
M  V30 24 1 13 14
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000988004002

>  <name>
NA

>  <smiles>
CC1CC(CN1C(=O)c1cnn(C)c1)NCCN1CCNC1=O

$$$$
ZINC000645348810
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 1.3256 2.7004 0.0 0
M  V30 2 C 0.5323 2.0916 0.0 0
M  V30 3 C 0.6628 1.1002 0.0 0
M  V30 4 C -0.3915 2.4743 0.0 0
M  V30 5 C -0.1305 0.4914 0.0 0
M  V30 6 C -1.1849 1.8655 0.0 0
M  V30 7 C -1.0544 0.8741 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.2588 -1.4659 0.0 0
M  V30 11 C -0.9659 -0.2411 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 C -1.2247 -1.2071 0.0 0
M  V30 14 O 1.732 -1.5 0.0 0
M  V30 15 N 2.598 0.0 0.0 0
M  V30 16 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 17 C 3.5686 -1.4945 0.0 0
M  V30 18 C 4.3776 -0.0932 0.0 0
M  V30 19 N 4.5467 -1.7024 0.0 0
M  V30 20 C 5.0467 -0.8364 0.0 0
M  V30 21 C 4.9535 -2.6159 0.0 0
M  V30 22 O 6.0412 -0.7318 0.0 0
M  V30 23 C 4.8489 -3.6105 0.0 0
M  V30 24 C 5.7625 -3.2037 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 16 15 CFG=1
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 21 23
M  V30 23 1 21 24
M  V30 24 1 6 7
M  V30 25 1 11 13
M  V30 26 1 19 20
M  V30 27 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 16)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000645348810

>  <name>
NA

>  <smiles>
Clc1cccc(c1)C1(CCC1)NC(=O)NC1CN(C2CC2)C(=O)C1

$$$$
ZINC001362554456
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 -0.5 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 O 5.1961 -0.5 0.0 0
M  V30 4 N 6.0621 0.9999 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 7 N 2.598 0.0 0.0 0
M  V30 8 C 3.4641 -1.5 0.0 0
M  V30 9 C 1.732 -0.5 0.0 0
M  V30 10 C 4.3301 -2.0 0.0 0
M  V30 11 O 1.732 -1.5 0.0 0
M  V30 12 C 0.866 0.0 0.0 0
M  V30 13 C 4.3301 -3.0 0.0 0
M  V30 14 C 5.1961 -1.5 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 C 5.1961 -3.5 0.0 0
M  V30 17 C 6.0621 -2.0 0.0 0
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C 6.0621 -3.0 0.0 0
M  V30 21 C -1.732 -0.4999 0.0 0
M  V30 22 C -0.866 -1.9999 0.0 0
M  V30 23 C -1.732 -1.4999 0.0 0
M  V30 24 O -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 5
M  V30 6 1 6 7 CFG=3
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 2 10 13
M  V30 13 1 10 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 2 15 18
M  V30 18 1 15 19
M  V30 19 2 16 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 2 21 23
M  V30 23 1 23 24
M  V30 24 1 17 20
M  V30 25 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001362554456

>  <name>
NA

>  <smiles>
NC(=O)OCC(Cc1ccccc1)NC(=O)Cc1ccc(O)cc1

$$$$
ZINC001388172710
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.5515 2.1159 0.0 0
M  V30 2 C 7.1448 1.2024 0.0 0
M  V30 3 N 6.1667 0.9945 0.0 0
M  V30 4 N 7.6448 0.3364 0.0 0
M  V30 5 C 6.0621 0.0 0.0 0
M  V30 6 C 6.9757 -0.4067 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 O 5.1961 -1.4999 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 1.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 1.732 1.5 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.9135 -0.0932 0.0 0
M  V30 19 C -0.1045 -1.4945 0.0 0
M  V30 20 C -1.5826 -0.8364 0.0 0
M  V30 21 C -1.0826 -1.7024 0.0 0
M  V30 22 C -1.4894 -2.6159 0.0 0
M  V30 23 N -1.8961 -3.5295 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 3 22 23
M  V30 23 2 5 6
M  V30 24 2 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001388172710

>  <name>
NA

>  <smiles>
CCC(CNC(O)c1c[nH]c(=O)[nH]1)NC(=O)c1cc(c[nH]1)C#N

$$$$
ZINC000475970054
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 1.732 -0.5 0.0 0
M  V30 2 C 2.598 0.0 0.0 0
M  V30 3 C 0.866 0.0 0.0 0
M  V30 4 N 3.4641 -0.4999 0.0 0
M  V30 5 N 2.598 0.9999 0.0 0
M  V30 6 C 0.0 -0.5 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 3.4641 1.5 0.0 0
M  V30 9 C 1.732 1.4999 0.0 0
M  V30 10 C -0.866 0.0 0.0 0
M  V30 11 C 0.0 -1.4999 0.0 0
M  V30 12 C 4.3301 1.0 0.0 0
M  V30 13 C 5.1961 -0.4999 0.0 0
M  V30 14 O 3.4641 2.5 0.0 0
M  V30 15 C -1.732 -0.4999 0.0 0
M  V30 16 C -0.866 -1.9999 0.0 0
M  V30 17 C 5.1961 1.5 0.0 0
M  V30 18 C 6.0621 0.0 0.0 0
M  V30 19 C -1.732 -1.4999 0.0 0
M  V30 20 C -2.598 0.0 0.0 0
M  V30 21 C 6.0621 1.0 0.0 0
M  V30 22 F -2.598 1.0 0.0 0
M  V30 23 F -3.4641 -0.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 2 6 10
M  V30 10 1 6 11
M  V30 11 2 7 12
M  V30 12 1 7 13
M  V30 13 2 8 14
M  V30 14 1 10 15
M  V30 15 2 11 16
M  V30 16 1 12 17
M  V30 17 2 13 18
M  V30 18 2 15 19
M  V30 19 1 15 20
M  V30 20 2 17 21
M  V30 21 1 20 22
M  V30 22 1 20 23
M  V30 23 1 8 12
M  V30 24 1 16 19
M  V30 25 1 18 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000475970054

>  <name>
NA

>  <smiles>
Cn1c(SCc2cccc(c2)C(F)F)nc2ccccc2c1=O

$$$$
ZINC001365754614
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 1.732 -1.5 0.0 0
M  V30 2 C 1.732 -0.5 0.0 0
M  V30 3 N 2.598 0.0 0.0 0
M  V30 4 N 0.866 0.0 0.0 0
M  V30 5 C 3.4641 -0.5 0.0 0
M  V30 6 C 0.0 -0.5 0.0 0
M  V30 7 C 3.4641 -1.5 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 C -0.1305 0.4914 0.0 0
M  V30 10 C -0.2588 -1.4659 0.0 0
M  V30 11 C -0.9659 -0.2411 0.0 0
M  V30 12 C 4.3301 -2.0 0.0 0
M  V30 13 C 5.1961 -0.5 0.0 0
M  V30 14 C -1.0544 0.8741 0.0 0
M  V30 15 C 0.6628 1.1002 0.0 0
M  V30 16 C -1.2247 -1.2071 0.0 0
M  V30 17 C 4.3301 -3.0 0.0 0
M  V30 18 C 5.1961 -1.5 0.0 0
M  V30 19 C -1.1849 1.8655 0.0 0
M  V30 20 C 0.5323 2.0916 0.0 0
M  V30 21 O -2.0907 -1.7071 0.0 0
M  V30 22 O 3.4641 -3.5 0.0 0
M  V30 23 N 5.1961 -3.5 0.0 0
M  V30 24 C -0.3915 2.4743 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 6 11
M  V30 11 1 7 12
M  V30 12 2 8 13
M  V30 13 2 9 14
M  V30 14 1 9 15
M  V30 15 1 10 16
M  V30 16 1 12 17
M  V30 17 2 12 18
M  V30 18 1 14 19
M  V30 19 2 15 20
M  V30 20 1 16 21
M  V30 21 2 17 22
M  V30 22 1 17 23
M  V30 23 2 19 24
M  V30 24 1 11 16
M  V30 25 1 13 18
M  V30 26 1 20 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001365754614

>  <name>
NA

>  <smiles>
NC(=O)c1cccc(NC(=O)NC2(CC(O)C2)c2ccccc2)c1

$$$$
ZINC001405214621
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 8.4176 -2.6159 0.0 0
M  V30 2 C 8.0108 -1.7024 0.0 0
M  V30 3 C 8.5108 -0.8364 0.0 0
M  V30 4 C 7.0327 -1.4945 0.0 0
M  V30 5 N 7.8417 -0.0932 0.0 0
M  V30 6 C 6.9282 -0.5 0.0 0
M  V30 7 C 6.0621 0.0 0.0 0
M  V30 8 O 6.0621 0.9999 0.0 0
M  V30 9 N 5.1961 -0.5 0.0 0
M  V30 10 C 4.3301 0.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 12 N 2.598 0.0 0.0 0
M  V30 13 C 3.4641 -1.5 0.0 0
M  V30 14 C 1.732 -0.5 0.0 0
M  V30 15 O 4.3301 -2.0 0.0 0
M  V30 16 O 1.732 -1.5 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 N -0.9135 -0.0932 0.0 0
M  V30 20 N -0.1045 -1.4945 0.0 0
M  V30 21 C -1.5826 -0.8364 0.0 0
M  V30 22 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 11 10
M  V30 11 1 11 12 CFG=1
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 5 6
M  V30 23 2 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001405214621

>  <name>
NA

>  <smiles>
OCC(CNC(=O)c1cc(Cl)c[nH]1)NC(=O)Cc1ncc[nH]1

$$$$
ZINC001649910191
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.75 0.0 0
M  V30 2 C 6.4952 0.0 0.0 0
M  V30 3 N 6.4952 1.5 0.0 0
M  V30 4 C 5.1961 -0.75 0.0 0
M  V30 5 N 7.6099 2.5037 0.0 0
M  V30 6 C 5.1961 2.25 0.0 0
M  V30 7 C 3.8971 0.0 0.0 0
M  V30 8 C 6.9998 3.874 0.0 0
M  V30 9 N 5.508 3.7172 0.0 0
M  V30 10 N 3.8971 1.5 0.0 0
M  V30 11 C 2.598 -0.75 0.0 0
M  V30 12 N 7.7498 5.173 0.0 0
M  V30 13 N 1.299 0.0 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 C -1.4488 -0.3617 0.0 0
M  V30 16 C -0.3882 -2.1988 0.0 0
M  V30 17 C -1.8371 -1.8106 0.0 0
M  V30 18 C -1.4488 1.1381 0.0 0
M  V30 19 C -2.7479 0.3881 0.0 0
M  V30 20 O -3.1361 -2.5606 0.0 0
M  V30 21 C -3.1361 -4.0606 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 15 19
M  V30 19 1 17 20
M  V30 20 1 20 21
M  V30 21 1 7 10
M  V30 22 1 8 9
M  V30 23 1 16 17
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001649910191

>  <name>
NA

>  <smiles>
COC1CC(NCc2cc(=O)n3[nH]c(=N)nc3[nH]2)C1(C)C

$$$$
ZINC001434058398
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 0.0 0.0 0
M  V30 2 C 6.9282 -0.5 0.0 0
M  V30 3 C 6.0621 0.0 0.0 0
M  V30 4 C 6.9282 -1.5 0.0 0
M  V30 5 C 5.1961 -0.5 0.0 0
M  V30 6 C 6.0621 -2.0 0.0 0
M  V30 7 N 5.1961 -1.5 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 N 3.4641 -0.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 O 2.598 1.0 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0
M  V30 15 C -0.866 0.0 0.0 0
M  V30 16 C 0.0 -1.4999 0.0 0
M  V30 17 C -0.866 1.0 0.0 0
M  V30 18 C -1.732 -0.4999 0.0 0
M  V30 19 C -0.866 -1.9999 0.0 0
M  V30 20 O 0.0 1.5 0.0 0
M  V30 21 N -1.732 1.5 0.0 0
M  V30 22 C -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 2 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 2 17 20
M  V30 20 1 17 21
M  V30 21 2 18 22
M  V30 22 1 6 7
M  V30 23 1 19 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001434058398

>  <name>
NA

>  <smiles>
NC(=O)c1ccccc1CCC(=O)NCc1cc(=O)cc[nH]1

$$$$
ZINC001307801112
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 3.8971 6.0 0.0 0
M  V30 2 C 3.8971 4.5 0.0 0
M  V30 3 C 2.598 3.75 0.0 0
M  V30 4 C 5.1961 3.75 0.0 0
M  V30 5 F 1.299 4.5 0.0 0
M  V30 6 C 2.598 2.25 0.0 0
M  V30 7 C 5.1961 2.25 0.0 0
M  V30 8 C 3.8971 1.5 0.0 0
M  V30 9 C 3.8971 0.0 0.0 0 CFG=1
M  V30 10 N 2.598 -0.75 0.0 0
M  V30 11 C 5.1961 -0.75 0.0 0
M  V30 12 C 1.299 0.0 0.0 0
M  V30 13 O 6.4951 0.0 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 N -1.299 0.0 0.0 0
M  V30 16 C 0.0 -2.2499 0.0 0
M  V30 17 C -2.598 -0.7499 0.0 0
M  V30 18 C -1.299 -2.9999 0.0 0
M  V30 19 N -4.0246 -0.2864 0.0 0
M  V30 20 N -2.598 -2.2499 0.0 0
M  V30 21 O -1.299 -4.5 0.0 0
M  V30 22 C -4.9063 -1.4999 0.0 0
M  V30 23 N -4.0246 -2.7135 0.0 0
M  V30 24 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 6 8
M  V30 8 1 9 8
M  V30 9 1 9 10 CFG=3
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 2 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 22 24
M  V30 24 1 7 8
M  V30 25 1 18 20
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001307801112

>  <name>
NA

>  <smiles>
OCC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccc(Br)c(F)c1

$$$$
ZINC000335872006
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 21 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 5.1961 1.5 0.0 0
M  V30 2 C 4.3301 1.0 0.0 0
M  V30 3 C 3.4641 1.5 0.0 0
M  V30 4 C 4.3301 0.0 0.0 0
M  V30 5 C 2.598 0.9999 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 O 1.732 1.4999 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 N 1.732 -0.5 0.0 0
M  V30 10 C 0.866 0.0 0.0 0
M  V30 11 O 0.866 1.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C -0.866 0.0 0.0 0
M  V30 14 C 0.0 -1.4999 0.0 0
M  V30 15 C -1.732 -0.4999 0.0 0
M  V30 16 C -0.866 -1.9999 0.0 0
M  V30 17 O -2.598 0.0 0.0 0
M  V30 18 N -1.732 -1.4999 0.0 0
M  V30 19 C -0.866 -2.9999 0.0 0
M  V30 20 C 0.0 -3.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 19 20
M  V30 20 1 6 8
M  V30 21 1 16 18
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000335872006

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)Nc1ccc(Cl)cc1O

$$$$
ZINC001331034449
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 -0.5 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 N 6.0621 0.9999 0.0 0
M  V30 4 C 5.1961 -0.4999 0.0 0
M  V30 5 N 6.8053 1.6691 0.0 0
M  V30 6 C 5.1961 1.4999 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 6.3985 2.5826 0.0 0
M  V30 9 N 5.404 2.4781 0.0 0
M  V30 10 N 4.3301 1.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 6.8985 3.4487 0.0 0
M  V30 13 N 2.598 0.0 0.0 0
M  V30 14 C 2.598 1.0 0.0 0
M  V30 15 C 1.732 -0.5 0.0 0
M  V30 16 C 3.4641 1.4999 0.0 0
M  V30 17 C 1.732 1.5 0.0 0
M  V30 18 C 0.866 0.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 C -0.866 0.0 0.0 0
M  V30 21 C 0.0 -1.4999 0.0 0
M  V30 22 C -1.732 -0.4999 0.0 0
M  V30 23 C -0.866 -1.9999 0.0 0
M  V30 24 C -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 2 22 24
M  V30 24 1 7 10
M  V30 25 1 8 9
M  V30 26 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001331034449

>  <name>
NA

>  <smiles>
CC(C)N(CCc1ccccc1)Cc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC000782572844
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 1.732 1.4999 0.0 0
M  V30 2 C 2.598 1.0 0.0 0
M  V30 3 C 2.598 0.0 0.0 0
M  V30 4 C 3.4641 1.4999 0.0 0
M  V30 5 C 3.4641 -0.5 0.0 0
M  V30 6 C 1.732 -0.5 0.0 0
M  V30 7 C 4.3301 1.0 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 O 1.732 -1.5 0.0 0
M  V30 10 C 0.866 0.0 0.0 0
M  V30 11 F 5.1961 1.5 0.0 0
M  V30 12 N 0.0 -0.5 0.0 0
M  V30 13 C -0.866 0.0 0.0 0
M  V30 14 C 0.0 -1.4999 0.0 0
M  V30 15 C -1.732 -0.4999 0.0 0
M  V30 16 C -0.866 1.0 0.0 0
M  V30 17 C -0.866 -1.9999 0.0 0
M  V30 18 O -2.598 0.0 0.0 0
M  V30 19 N -1.732 -1.4999 0.0 0
M  V30 20 C 0.0 1.5 0.0 0
M  V30 21 C 0.866 0.9999 0.0 0
M  V30 22 C 0.0 2.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 1 7 8
M  V30 23 1 17 19
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000782572844

>  <name>
NA

>  <smiles>
CC(C)CC1N(CC(O)c2ccc(F)cc2Cl)CCNC1=O

$$$$
ZINC000856727481
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -3.0 0.0 0
M  V30 2 C 2.598 -1.9999 0.0 0
M  V30 3 N 3.4641 -1.4999 0.0 0
M  V30 4 C 1.732 -1.4999 0.0 0
M  V30 5 N 4.4151 -1.809 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 C 5.0029 -0.9999 0.0 0
M  V30 9 N 4.4151 -0.1909 0.0 0
M  V30 10 N 2.598 0.0 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 N 6.0029 -0.9999 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C -0.866 0.0 0.0 0
M  V30 15 C 0.0 -1.4999 0.0 0
M  V30 16 C -1.732 -0.4999 0.0 0
M  V30 17 C -0.866 1.0 0.0 0
M  V30 18 C -0.866 -1.9999 0.0 0 CFG=1
M  V30 19 O -1.732 -1.4999 0.0 0
M  V30 20 C -2.598 0.0 0.0 0
M  V30 21 C -1.732 1.5 0.0 0
M  V30 22 C -0.866 -2.9999 0.0 0
M  V30 23 C -2.598 1.0 0.0 0
M  V30 24 C -3.4641 1.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 18 15
M  V30 18 1 16 19
M  V30 19 1 16 20
M  V30 20 2 17 21
M  V30 21 1 18 22 CFG=3
M  V30 22 2 20 23
M  V30 23 1 23 24
M  V30 24 1 7 10
M  V30 25 1 8 9
M  V30 26 1 18 19
M  V30 27 1 21 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 18)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000856727481

>  <name>
NA

>  <smiles>
CC1CN(Cc2cc(=O)n3[nH]c(=N)nc3[nH]2)c2ccc(C)cc2O1

$$$$
ZINC000928469832
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 5.1961 -1.5 0.0 0
M  V30 2 C 5.1961 -0.5 0.0 0
M  V30 3 C 6.0621 0.0 0.0 0
M  V30 4 C 4.3301 0.0 0.0 0
M  V30 5 O 6.9282 -0.5 0.0 0
M  V30 6 N 6.0621 0.9999 0.0 0
M  V30 7 C 4.3301 0.9999 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0
M  V30 9 C 5.1961 1.4999 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 O 2.598 1.0 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0
M  V30 15 C -0.866 0.0 0.0 0
M  V30 16 C 0.0 -1.4999 0.0 0
M  V30 17 C -1.732 -0.4999 0.0 0
M  V30 18 C -0.866 1.0 0.0 0
M  V30 19 C -0.866 -1.9999 0.0 0
M  V30 20 C 0.866 -2.0 0.0 0
M  V30 21 C -1.732 -1.4999 0.0 0
M  V30 22 C -2.598 -1.9999 0.0 0
M  V30 23 O -2.598 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 2 4
M  V30 4 2 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 1 16 20
M  V30 20 2 17 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 2 7 9
M  V30 24 1 19 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000928469832

>  <name>
NA

>  <smiles>
Cc1cc(CO)cc(C)c1CNC(=O)Cc1cc[nH]c(=O)c1Br

$$$$
ZINC001413053287
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 5.1961 -3.5 0.0 0
M  V30 2 C 4.3301 -3.0 0.0 0
M  V30 3 C 4.3301 -1.9999 0.0 0
M  V30 4 C 3.4641 -3.5 0.0 0
M  V30 5 O 5.1961 -1.4999 0.0 0
M  V30 6 C 3.4641 -1.5 0.0 0
M  V30 7 C 2.598 -2.9999 0.0 0
M  V30 8 C 5.1961 -0.4999 0.0 0
M  V30 9 C 2.598 -2.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 11 C 4.3301 0.0 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 O 2.598 1.0 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 N -0.866 0.0 0.0 0
M  V30 18 C 0.0 -1.4999 0.0 0
M  V30 19 C -1.732 -0.4999 0.0 0
M  V30 20 C -0.866 -1.9999 0.0 0
M  V30 21 C -1.732 -1.4999 0.0 0
M  V30 22 O -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 10 6
M  V30 10 1 8 11
M  V30 11 1 10 12 CFG=3
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 7 9
M  V30 23 1 10 11
M  V30 24 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 10)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001413053287

>  <name>
NA

>  <smiles>
Fc1cccc2C(CCOc12)C(=O)NCc1cc(=O)cc[nH]1

$$$$
ZINC000648660141
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 3.9999 0.0 0
M  V30 2 C 2.598 2.9999 0.0 0
M  V30 3 N 3.4641 2.4999 0.0 0
M  V30 4 C 1.732 2.4999 0.0 0
M  V30 5 C 3.4641 1.4999 0.0 0
M  V30 6 C 1.732 1.4999 0.0 0 CFG=2
M  V30 7 C 2.598 0.9999 0.0 0
M  V30 8 C 0.866 0.9999 0.0 0
M  V30 9 O 0.0 1.5 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C 0.7933 -1.1087 0.0 0
M  V30 13 C -0.9659 -0.2411 0.0 0
M  V30 14 C -0.2588 -1.4659 0.0 0
M  V30 15 C 0.6628 -2.1002 0.0 0
M  V30 16 C 1.7172 -0.726 0.0 0
M  V30 17 C -1.2247 -1.2071 0.0 0
M  V30 18 C 1.4561 -2.7089 0.0 0
M  V30 19 C 2.5105 -1.3348 0.0 0
M  V30 20 C 2.38 -2.3262 0.0 0
M  V30 21 C 3.1734 -2.935 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 1 5 7
M  V30 7 1 6 8 CFG=3
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 13 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 2 18 20
M  V30 20 1 20 21
M  V30 21 1 6 7
M  V30 22 1 14 17
M  V30 23 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000648660141

>  <name>
NA

>  <smiles>
Cc1ccc(cc1)C1(CCC1)NC(=O)C1CCNC(=O)C1

$$$$
ZINC000621264566
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -3.0 0.0 0
M  V30 2 C 2.598 -1.9999 0.0 0
M  V30 3 N 3.4641 -1.4999 0.0 0
M  V30 4 C 1.732 -1.4999 0.0 0
M  V30 5 N 4.4151 -1.809 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 C 5.0029 -0.9999 0.0 0
M  V30 9 N 4.4151 -0.1909 0.0 0
M  V30 10 N 2.598 0.0 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 N 6.0029 -0.9999 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C -0.9135 -0.0932 0.0 0 CFG=2
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 C -1.1214 0.8848 0.0 0
M  V30 17 C -1.5826 -0.8364 0.0 0
M  V30 18 C -1.0826 -1.7024 0.0 0
M  V30 19 C -0.3783 1.554 0.0 0
M  V30 20 C -2.0725 1.1939 0.0 0
M  V30 21 C -0.5862 2.5321 0.0 0
M  V30 22 C -2.2804 2.172 0.0 0
M  V30 23 C -1.5372 2.8411 0.0 0
M  V30 24 O -1.7451 3.8193 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13
M  V30 14 1 13 15
M  V30 15 1 14 16 CFG=1
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 1 16 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 2 21 23
M  V30 23 1 23 24
M  V30 24 1 7 10
M  V30 25 1 8 9
M  V30 26 1 17 18
M  V30 27 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000621264566

>  <name>
NA

>  <smiles>
Oc1ccc(cc1)C1CCCN1Cc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC001639649543
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 10.3923 -0.75 0.0 0
M  V30 2 C 9.0932 0.0 0.0 0
M  V30 3 N 9.0932 1.5 0.0 0
M  V30 4 N 7.7942 -0.75 0.0 0
M  V30 5 C 7.7942 2.25 0.0 0
M  V30 6 C 6.4952 0.0 0.0 0
M  V30 7 O 7.7942 3.75 0.0 0
M  V30 8 C 6.4952 1.5 0.0 0
M  V30 9 C 5.1961 -0.75 0.0 0
M  V30 10 N 3.8971 0.0 0.0 0
M  V30 11 C 2.598 -0.75 0.0 0
M  V30 12 O 2.598 -2.25 0.0 0
M  V30 13 C 1.299 0.0 0.0 0 CFG=2
M  V30 14 O 2.049 1.299 0.0 0
M  V30 15 C 0.0 -0.75 0.0 0
M  V30 16 C 0.549 1.299 0.0 0
M  V30 17 C -1.299 0.0 0.0 0
M  V30 18 C 0.0 -2.25 0.0 0
M  V30 19 C -2.598 -0.75 0.0 0
M  V30 20 C -1.299 -3.0 0.0 0
M  V30 21 C -2.598 -2.25 0.0 0
M  V30 22 F -3.8971 -3.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 2 11 12
M  V30 12 1 13 11
M  V30 13 1 13 14 CFG=1
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 2 19 21
M  V30 21 1 21 22
M  V30 22 2 6 8
M  V30 23 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001639649543

>  <name>
NA

>  <smiles>
CC(O)(C(=O)NCc1cc(=O)[nH]c(=S)[nH]1)c1ccc(F)cc1

$$$$
ZINC000412676019
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 19 20 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 1.732 1.4999 0.0 0
M  V30 2 C 2.598 1.0 0.0 0
M  V30 3 C 2.598 0.0 0.0 0
M  V30 4 C 3.4641 1.4999 0.0 0
M  V30 5 N 1.732 -0.5 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0
M  V30 7 C 4.3301 1.0 0.0 0
M  V30 8 C 0.866 0.0 0.0 0
M  V30 9 C 4.3301 0.0 0.0 0
M  V30 10 O 0.866 1.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C -0.866 0.0 0.0 0
M  V30 13 C 0.0 -1.4999 0.0 0
M  V30 14 C -1.732 -0.4999 0.0 0
M  V30 15 C -0.866 -1.9999 0.0 0
M  V30 16 O -2.598 0.0 0.0 0
M  V30 17 N -1.732 -1.4999 0.0 0
M  V30 18 C -0.866 -2.9999 0.0 0
M  V30 19 C 0.0 -3.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 18 19
M  V30 19 1 7 9
M  V30 20 1 15 17
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000412676019

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1CCCCC1F

$$$$
ZINC001458147354
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 10.7173 1.8036 0.0 0
M  V30 2 O 11.9308 2.6852 0.0 0
M  V30 3 O 10.5604 3.2954 0.0 0
M  V30 4 N 9.25 1.4917 0.0 0
M  V30 5 C 11.4673 0.5046 0.0 0
M  V30 6 C 9.0932 0.0 0.0 0
M  V30 7 C 10.4636 -0.6101 0.0 0
M  V30 8 C 7.7942 -0.75 0.0 0
M  V30 9 O 7.7942 -2.25 0.0 0
M  V30 10 N 6.4952 0.0 0.0 0
M  V30 11 C 5.1961 -0.75 0.0 0
M  V30 12 C 3.8971 0.0 0.0 0
M  V30 13 C 5.1961 -2.25 0.0 0
M  V30 14 N 2.598 -0.75 0.0 0
M  V30 15 C 1.299 0.0 0.0 0
M  V30 16 O 1.299 1.5 0.0 0
M  V30 17 C 0.0 -0.75 0.0 0
M  V30 18 N -1.299 0.0 0.0 0
M  V30 19 C 0.0 -2.25 0.0 0
M  V30 20 C -2.598 -0.75 0.0 0
M  V30 21 C -1.299 -3.0 0.0 0
M  V30 22 O -3.8971 0.0 0.0 0
M  V30 23 C -2.598 -2.25 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 2 1 3
M  V30 3 1 1 4
M  V30 4 1 1 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 6 7
M  V30 24 2 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001458147354

>  <name>
NA

>  <smiles>
CC(CNC(=O)c1cccc(=O)[nH]1)NC(=O)C1CCS(=O)(=O)N1

$$$$
ZINC000363931378
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 1.0 0.0 0
M  V30 2 C 2.598 0.0 0.0 0
M  V30 3 N 3.4641 -0.5 0.0 0
M  V30 4 C 1.732 -0.5 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0 CFG=2
M  V30 6 C 0.866 0.0 0.0 0
M  V30 7 C 4.3301 0.9999 0.0 0
M  V30 8 C 5.1961 -0.5 0.0 0
M  V30 9 C 0.0 -0.5 0.0 0
M  V30 10 C 5.1961 1.4999 0.0 0
M  V30 11 C 3.5869 1.6691 0.0 0
M  V30 12 C 6.0621 0.0 0.0 0
M  V30 13 C -0.866 0.0 0.0 0
M  V30 14 C 0.0 -1.4999 0.0 0
M  V30 15 N 4.9882 2.4781 0.0 0
M  V30 16 C 6.0621 0.9999 0.0 0
M  V30 17 N 3.9937 2.5826 0.0 0
M  V30 18 C -1.732 -0.4999 0.0 0
M  V30 19 C -0.866 -1.9999 0.0 0
M  V30 20 C 5.6573 3.2212 0.0 0
M  V30 21 C -1.732 -1.4999 0.0 0
M  V30 22 C 6.6355 3.0133 0.0 0
M  V30 23 O -2.598 -1.9999 0.0 0
M  V30 24 O 7.3046 3.7565 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 3 CFG=3
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 2 7 10
M  V30 10 1 7 11
M  V30 11 1 8 12
M  V30 12 2 9 13
M  V30 13 1 9 14
M  V30 14 1 10 15
M  V30 15 1 10 16
M  V30 16 2 11 17
M  V30 17 1 13 18
M  V30 18 2 14 19
M  V30 19 1 15 20
M  V30 20 2 18 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 12 16
M  V30 25 1 15 17
M  V30 26 1 19 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000363931378

>  <name>
NA

>  <smiles>
OCCn1ncc2C(CCCc12)NC(=O)CCc1ccc(O)cc1

$$$$
ZINC000923758600
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.9535 -2.6159 0.0 0
M  V30 2 C 4.5467 -1.7024 0.0 0
M  V30 3 O 5.0467 -0.8364 0.0 0
M  V30 4 C 3.5686 -1.4945 0.0 0
M  V30 5 C 4.3776 -0.0932 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0
M  V30 7 N 2.598 0.0 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 O 1.732 -1.5 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C -0.9135 -0.0932 0.0 0
M  V30 13 C -0.1045 -1.4945 0.0 0
M  V30 14 O -1.1214 0.8848 0.0 0
M  V30 15 C -1.5826 -0.8364 0.0 0
M  V30 16 C -1.0826 -1.7024 0.0 0
M  V30 17 C -2.0725 1.1939 0.0 0
M  V30 18 C -2.3815 2.1449 0.0 0
M  V30 19 C -2.8815 0.6061 0.0 0
M  V30 20 N -3.3815 2.1449 0.0 0
M  V30 21 N -3.6905 1.1939 0.0 0
M  V30 22 C -4.6416 0.8848 0.0 0
M  V30 23 C -4.8495 -0.0932 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 2 18 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 5 6
M  V30 24 1 15 16
M  V30 25 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000923758600

>  <name>
NA

>  <smiles>
CCn1cc(OC2CCCC2NC(=O)NC2COC(=O)C2)cn1

$$$$
ZINC001470583419
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 19 20 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.0621 0.0 0.0 0
M  V30 2 C 5.1961 -0.5 0.0 0
M  V30 3 N 4.3301 0.0 0.0 0
M  V30 4 C 5.1961 -1.4999 0.0 0
M  V30 5 C 3.4641 -0.5 0.0 0
M  V30 6 C 4.3301 -1.9999 0.0 0
M  V30 7 N 3.4641 -1.4999 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 O 4.3301 -3.0 0.0 0
M  V30 10 N 1.732 -0.5 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 O 0.866 1.0 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0
M  V30 14 N -0.866 0.0 0.0 0
M  V30 15 C 0.0 -1.4999 0.0 0
M  V30 16 C -1.732 -0.4999 0.0 0
M  V30 17 C -0.866 -1.9999 0.0 0
M  V30 18 O -2.598 0.0 0.0 0
M  V30 19 C -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 2 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 1 6 7
M  V30 20 2 17 19
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001470583419

>  <name>
NA

>  <smiles>
Oc1cc(=O)nc(CNC(=O)c2cccc(=O)[nH]2)[nH]1

$$$$
ZINC001142849116
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 8.3853 3.3901 0.0 0
M  V30 2 C 7.9217 1.9635 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 8.8034 0.75 0.0 0
M  V30 5 C 6.4951 0.0 0.0 0 CFG=2
M  V30 6 C 5.1961 2.25 0.0 0
M  V30 7 C 7.9217 -0.4635 0.0 0
M  V30 8 C 10.2952 0.5932 0.0 0
M  V30 9 C 5.1961 -0.7499 0.0 0
M  V30 10 C 3.8971 1.4999 0.0 0
M  V30 11 C 8.5318 -1.8338 0.0 0
M  V30 12 C 10.9053 -0.7771 0.0 0
M  V30 13 N 3.8971 0.0 0.0 0
M  V30 14 C 10.0236 -1.9906 0.0 0
M  V30 15 C 2.598 -0.75 0.0 0
M  V30 16 O 2.598 -2.25 0.0 0
M  V30 17 C 1.299 0.0 0.0 0
M  V30 18 C 0.0 -0.75 0.0 0
M  V30 19 C -1.299 0.0 0.0 0
M  V30 20 C 0.0 -2.2499 0.0 0
M  V30 21 C -2.598 -0.7499 0.0 0
M  V30 22 C -1.299 -2.9999 0.0 0
M  V30 23 O -3.8971 0.0 0.0 0
M  V30 24 C -2.598 -2.2499 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 3 CFG=3
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 9 13
M  V30 13 2 11 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 21 23
M  V30 23 2 21 24
M  V30 24 1 5 7
M  V30 25 1 10 13
M  V30 26 1 12 14
M  V30 27 1 22 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001142849116

>  <name>
NA

>  <smiles>
Oc1cccc(CC(=O)N2CCN3C(C2)c2ccccc2C3=O)c1

$$$$
ZINC000621280325
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.7499 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 N 7.6099 2.5036 0.0 0
M  V30 6 C 5.1961 2.25 0.0 0
M  V30 7 C 3.8971 0.0 0.0 0
M  V30 8 C 6.9998 3.874 0.0 0
M  V30 9 N 5.508 3.7172 0.0 0
M  V30 10 N 3.8971 1.5 0.0 0
M  V30 11 C 2.598 -0.75 0.0 0
M  V30 12 N 7.7498 5.173 0.0 0
M  V30 13 N 1.299 0.0 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 C -1.299 0.0 0.0 0
M  V30 16 C 0.0 -2.2499 0.0 0
M  V30 17 C -2.598 -0.7499 0.0 0
M  V30 18 C -1.299 1.5 0.0 0
M  V30 19 C -1.299 -2.9999 0.0 0
M  V30 20 C -2.598 -2.2499 0.0 0
M  V30 21 C -2.598 2.25 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 7 10
M  V30 22 1 8 9
M  V30 23 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000621280325

>  <name>
NA

>  <smiles>
CCC1CCCCC1NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC001362167692
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.3301 0.9999 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 C 3.4641 -0.5 0.0 0
M  V30 4 C 5.1961 -0.5 0.0 0
M  V30 5 C 3.4641 -1.5 0.0 0
M  V30 6 C 2.598 0.0 0.0 0
M  V30 7 C 5.1961 -1.5 0.0 0
M  V30 8 C 4.3301 -2.0 0.0 0
M  V30 9 N 1.732 -0.5 0.0 0
M  V30 10 C 2.598 1.0 0.0 0
M  V30 11 F 6.0621 -2.0 0.0 0
M  V30 12 C 0.866 0.0 0.0 0
M  V30 13 C 3.098 1.866 0.0 0
M  V30 14 C 2.098 1.866 0.0 0
M  V30 15 O 0.866 1.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 C -0.866 0.0 0.0 0
M  V30 18 C 0.0 -1.4999 0.0 0
M  V30 19 C -1.732 -0.4999 0.0 0
M  V30 20 C -0.866 -1.9999 0.0 0
M  V30 21 O -2.598 0.0 0.0 0
M  V30 22 N -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 10 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 7 8
M  V30 23 1 13 14
M  V30 24 1 20 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001362167692

>  <name>
NA

>  <smiles>
Fc1ccc(C(NC(=O)C2CCNC(=O)C2)C2CC2)c(F)c1

$$$$
ZINC001079780967
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 1.7529 -4.646 0.0 0
M  V30 2 C 2.7474 -4.7506 0.0 0
M  V30 3 O 3.2474 -5.6166 0.0 0
M  V30 4 N 3.4165 -4.0074 0.0 0
M  V30 5 C 4.2255 -5.4087 0.0 0
M  V30 6 C 4.3301 -4.4142 0.0 0
M  V30 7 C 5.1961 -3.9142 0.0 0
M  V30 8 O 6.0621 -4.4142 0.0 0
M  V30 9 N 5.1961 -2.9142 0.0 0
M  V30 10 C 5.9032 -2.2071 0.0 0
M  V30 11 C 4.489 -2.2071 0.0 0
M  V30 12 C 5.1961 -1.4999 0.0 0
M  V30 13 N 5.1961 -0.5 0.0 0
M  V30 14 C 4.3301 0.0 0.0 0
M  V30 15 C 6.0621 0.0 0.0 0
M  V30 16 O 4.3301 1.0 0.0 0
M  V30 17 C 3.4641 -0.5 0.0 0
M  V30 18 C 6.9282 -0.5 0.0 0
M  V30 19 C 2.598 0.0 0.0 0
M  V30 20 N 1.732 -0.5 0.0 0
M  V30 21 C 2.598 1.0 0.0 0
M  V30 22 C 0.866 0.0 0.0 0
M  V30 23 O 0.866 1.0 0.0 0
M  V30 24 N 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 22 23
M  V30 23 1 22 24
M  V30 24 2 5 6
M  V30 25 1 11 12
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001079780967

>  <name>
NA

>  <smiles>
CCN(C1CN(C1)C(O)c1coc(=O)[nH]1)C(=O)CC(C)NC(N)=O

$$$$
ZINC001328556654
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 1.4142 0.9142 0.0 0
M  V30 2 C 0.4482 1.173 0.0 0
M  V30 3 C -0.2588 0.4659 0.0 0
M  V30 4 C 0.1894 2.1389 0.0 0
M  V30 5 C -1.2247 0.7247 0.0 0
M  V30 6 C 0.0 -0.5 0.0 0
M  V30 7 C -0.7764 2.3977 0.0 0
M  V30 8 C -1.4835 1.6906 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.4999 -1.366 0.0 0
M  V30 11 C -0.9999 -0.5 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 N 3.4641 -0.5 0.0 0
M  V30 15 C 2.598 0.9999 0.0 0
M  V30 16 C 4.3301 0.0 0.0 0
M  V30 17 C 3.4641 1.5 0.0 0
M  V30 18 N 5.2811 -0.309 0.0 0
M  V30 19 N 4.3301 1.0 0.0 0
M  V30 20 O 3.4641 2.5 0.0 0
M  V30 21 C 5.8689 0.5 0.0 0
M  V30 22 N 5.2811 1.309 0.0 0
M  V30 23 N 6.8689 0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 6 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 21 23
M  V30 23 1 7 8
M  V30 24 1 10 11
M  V30 25 1 17 19
M  V30 26 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001328556654

>  <name>
NA

>  <smiles>
Fc1ccccc1C1(CC1)NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC001649910189
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.75 0.0 0
M  V30 2 C 6.4952 0.0 0.0 0
M  V30 3 N 6.4952 1.5 0.0 0
M  V30 4 C 5.1961 -0.75 0.0 0
M  V30 5 N 7.6099 2.5037 0.0 0
M  V30 6 C 5.1961 2.25 0.0 0
M  V30 7 C 3.8971 0.0 0.0 0
M  V30 8 C 6.9998 3.874 0.0 0
M  V30 9 N 5.508 3.7172 0.0 0
M  V30 10 N 3.8971 1.5 0.0 0
M  V30 11 C 2.598 -0.75 0.0 0
M  V30 12 N 7.7498 5.173 0.0 0
M  V30 13 N 1.299 0.0 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 C -1.4488 -0.3617 0.0 0
M  V30 16 C -0.3882 -2.1988 0.0 0
M  V30 17 C -1.8371 -1.8106 0.0 0
M  V30 18 C -1.4488 1.1381 0.0 0
M  V30 19 C -2.7479 0.3881 0.0 0
M  V30 20 O -3.1361 -2.5606 0.0 0
M  V30 21 C -3.1361 -4.0606 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 15 19
M  V30 19 1 17 20
M  V30 20 1 20 21
M  V30 21 1 7 10
M  V30 22 1 8 9
M  V30 23 1 16 17
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001649910189

>  <name>
NA

>  <smiles>
COC1CC(NCc2cc(=O)n3[nH]c(=N)nc3[nH]2)C1(C)C

$$$$
ZINC000549300823
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 3.672 2.4781 0.0 0
M  V30 2 C 3.4641 1.5 0.0 0
M  V30 3 C 4.6665 2.5826 0.0 0
M  V30 4 N 2.598 1.0 0.0 0
M  V30 5 C 4.3301 1.0 0.0 0
M  V30 6 C 5.0732 1.6691 0.0 0
M  V30 7 C 2.598 0.0 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 S 1.732 -0.5 0.0 0
M  V30 10 N 3.4641 -0.4999 0.0 0
M  V30 11 O 5.1961 -0.5 0.0 0
M  V30 12 C 0.866 0.0 0.0 0
M  V30 13 C 3.4641 -1.5 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0
M  V30 15 C -0.866 0.0 0.0 0
M  V30 16 C 0.0 -1.4999 0.0 0
M  V30 17 N -1.732 -0.4999 0.0 0
M  V30 18 C -0.866 1.0 0.0 0
M  V30 19 C -0.866 -1.9999 0.0 0
M  V30 20 C -1.732 -1.4999 0.0 0
M  V30 21 C -1.732 1.5 0.0 0
M  V30 22 C -2.598 -1.9999 0.0 0
M  V30 23 C -3.4641 -1.4999 0.0 0
M  V30 24 C -2.598 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 2 4
M  V30 4 2 2 5
M  V30 5 2 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 1 7 10
M  V30 10 2 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 12 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 20 22
M  V30 22 1 22 23
M  V30 23 1 22 24
M  V30 24 1 5 6
M  V30 25 1 8 10
M  V30 26 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000549300823

>  <name>
NA

>  <smiles>
CCc1nc(ccc1CSc1nc2sccc2c(=O)n1C)C(C)C

$$$$
ZINC001191977705
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 0.7248 1.1279 0.0 0
M  V30 2 C -0.0523 0.4986 0.0 0
M  V30 3 C 0.3664 2.0615 0.0 0
M  V30 4 N -0.891 1.0432 0.0 0
M  V30 5 C 0.0 -0.5 0.0 0
M  V30 6 C -0.6321 2.0091 0.0 0
M  V30 7 N 0.866 0.0 0.0 0
M  V30 8 C -0.1045 -1.4945 0.0 0
M  V30 9 C -0.9135 -0.0932 0.0 0
M  V30 10 C 1.732 -0.5 0.0 0
M  V30 11 C -1.0826 -1.7024 0.0 0
M  V30 12 C -1.5826 -0.8364 0.0 0
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 N 3.4641 -0.5 0.0 0
M  V30 15 C 2.598 0.9999 0.0 0
M  V30 16 C 4.3301 0.0 0.0 0
M  V30 17 C 3.4641 1.5 0.0 0
M  V30 18 N 5.2811 -0.309 0.0 0
M  V30 19 N 4.3301 1.0 0.0 0
M  V30 20 O 3.4641 2.5 0.0 0
M  V30 21 C 5.8689 0.5 0.0 0
M  V30 22 N 5.2811 1.309 0.0 0
M  V30 23 N 6.8689 0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 21 23
M  V30 23 1 4 6
M  V30 24 1 11 12
M  V30 25 1 17 19
M  V30 26 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001191977705

>  <name>
NA

>  <smiles>
N=c1nc2[nH]c(CNC3(CCCC3)c3nccs3)cc(=O)n2[nH]1

$$$$
ZINC001064101679
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 -0.5 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 N 4.3301 1.0 0.0 0
M  V30 4 C 3.4641 -0.4999 0.0 0
M  V30 5 C 3.4641 1.5 0.0 0
M  V30 6 C 2.598 0.0 0.0 0
M  V30 7 O 3.4641 2.5 0.0 0
M  V30 8 C 2.598 1.0 0.0 0
M  V30 9 C 1.732 -0.5 0.0 0
M  V30 10 O 1.732 -1.5 0.0 0
M  V30 11 N 0.866 0.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C -0.9135 -0.0932 0.0 0
M  V30 14 C -0.1045 -1.4945 0.0 0
M  V30 15 C -1.5826 -0.8364 0.0 0
M  V30 16 C -1.1214 0.8848 0.0 0
M  V30 17 C -1.0826 -1.7024 0.0 0
M  V30 18 N -0.3783 1.554 0.0 0
M  V30 19 C -0.5862 2.5321 0.0 0
M  V30 20 N 0.1569 3.2012 0.0 0
M  V30 21 N -1.5372 2.8411 0.0 0
M  V30 22 C -0.0509 4.1794 0.0 0
M  V30 23 C -1.7451 3.8193 0.0 0
M  V30 24 C -1.002 4.4884 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 16 18
M  V30 18 2 18 19 CFG=2
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 6 8
M  V30 25 1 15 17
M  V30 26 2 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001064101679

>  <name>
NA

>  <smiles>
OC(NC1CCCC1CN=c1nccc[nH]1)c1cc(O)[nH]c(=O)c1

$$$$
ZINC000621269563
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.7499 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 N 7.6099 2.5036 0.0 0
M  V30 6 C 5.1961 2.25 0.0 0
M  V30 7 C 3.8971 0.0 0.0 0
M  V30 8 C 6.9998 3.874 0.0 0
M  V30 9 N 5.508 3.7172 0.0 0
M  V30 10 N 3.8971 1.5 0.0 0
M  V30 11 C 2.598 -0.75 0.0 0
M  V30 12 N 7.7498 5.173 0.0 0
M  V30 13 N 1.299 0.0 0.0 0
M  V30 14 C 1.299 1.5 0.0 0
M  V30 15 C 0.0 -0.75 0.0 0
M  V30 16 C 0.0 2.2499 0.0 0
M  V30 17 C 2.598 2.25 0.0 0
M  V30 18 N -1.299 1.4999 0.0 0
M  V30 19 C 0.0 3.75 0.0 0
M  V30 20 C 2.598 3.75 0.0 0
M  V30 21 C -1.299 0.0 0.0 0
M  V30 22 C -2.598 2.2499 0.0 0
M  V30 23 C 1.299 4.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 18 22
M  V30 22 2 19 23
M  V30 23 1 7 10
M  V30 24 1 8 9
M  V30 25 1 20 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000621269563

>  <name>
NA

>  <smiles>
CN(C)c1ccccc1N(C)Cc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC000012549594
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.7892 -1.8336 0.0 0
M  V30 2 C 4.9802 -1.2458 0.0 0
M  V30 3 N 5.0848 -0.2513 0.0 0
M  V30 4 N 4.0667 -1.6526 0.0 0
M  V30 5 C 4.2757 0.3364 0.0 0
M  V30 6 C 5.9983 0.1553 0.0 0
M  V30 7 C 3.2577 -1.0648 0.0 0
M  V30 8 C 3.9622 -2.6471 0.0 0
M  V30 9 O 4.3803 1.3309 0.0 0
M  V30 10 C 3.3622 -0.0703 0.0 0
M  V30 11 N 2.2795 -1.2727 0.0 0
M  V30 12 N 2.4487 0.3364 0.0 0
M  V30 13 C 1.7795 -0.4067 0.0 0
M  V30 14 C 1.9487 1.2024 0.0 0
M  V30 15 N 0.866 0.0 0.0 0
M  V30 16 C 0.9705 0.9945 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C 0.2274 1.6636 0.0 0
M  V30 19 C -0.866 0.0 0.0 0
M  V30 20 C 0.0 -1.4999 0.0 0
M  V30 21 C -1.732 -0.4999 0.0 0
M  V30 22 C -0.866 -1.9999 0.0 0
M  V30 23 O -2.598 0.0 0.0 0
M  V30 24 C -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 2 5 9
M  V30 9 1 5 10
M  V30 10 1 7 11
M  V30 11 1 10 12
M  V30 12 2 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 21 23
M  V30 23 2 21 24
M  V30 24 2 7 10
M  V30 25 1 12 13
M  V30 26 1 15 16
M  V30 27 1 22 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000012549594

>  <name>
NA

>  <smiles>
Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1-c1cccc(O)c1

$$$$
ZINC001450971158
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 2.4999 0.0 0
M  V30 2 C 6.9282 1.4999 0.0 0
M  V30 3 C 6.0621 0.9999 0.0 0
M  V30 4 C 7.7942 0.9999 0.0 0
M  V30 5 C 6.0621 0.0 0.0 0
M  V30 6 C 7.7942 0.0 0.0 0
M  V30 7 N 6.9282 -0.5 0.0 0
M  V30 8 C 5.1961 -0.5 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 O 3.4641 -1.5 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 C 1.732 -0.5 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0 CFG=2
M  V30 16 N -0.9135 -0.0932 0.0 0
M  V30 17 C -0.1045 -1.4945 0.0 0
M  V30 18 C 0.8386 -1.0446 0.0 0
M  V30 19 C -1.5826 -0.8364 0.0 0
M  V30 20 O 0.6386 -2.1636 0.0 0
M  V30 21 N -1.0826 -1.7024 0.0 0
M  V30 22 O -2.5771 -0.7318 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 2 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 15 14
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 15 18 CFG=3
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 17 21
M  V30 21 2 19 22
M  V30 22 1 6 7
M  V30 23 1 19 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 15)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001450971158

>  <name>
NA

>  <smiles>
CC1(CCCC(=O)NCc2cc(=O)cc[nH]2)NC(=O)NC1=O

$$$$
ZINC000153510384
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 18 19 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 5.1961 1.5 0.0 0
M  V30 2 C 4.3301 1.0 0.0 0
M  V30 3 C 3.4641 1.5 0.0 0
M  V30 4 C 4.3301 0.0 0.0 0
M  V30 5 C 2.598 0.9999 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 O 1.732 1.4999 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 N 1.732 -0.5 0.0 0
M  V30 10 C 0.866 0.0 0.0 0
M  V30 11 O 0.866 1.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0 CFG=2
M  V30 13 C -0.866 0.0 0.0 0
M  V30 14 C 0.0 -1.4999 0.0 0
M  V30 15 C -1.732 -0.4999 0.0 0
M  V30 16 C -0.866 -1.9999 0.0 0
M  V30 17 O -2.598 0.0 0.0 0
M  V30 18 N -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 12 10 CFG=1
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 6 8
M  V30 19 1 16 18
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000153510384

>  <name>
NA

>  <smiles>
Oc1cc(Cl)ccc1NC(=O)C1CCNC(=O)C1

$$$$
ZINC000621257047
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 -0.5 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 N 6.0621 0.9999 0.0 0
M  V30 4 C 5.1961 -0.4999 0.0 0
M  V30 5 N 6.8053 1.6691 0.0 0
M  V30 6 C 5.1961 1.4999 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 6.3985 2.5826 0.0 0
M  V30 9 N 5.404 2.4781 0.0 0
M  V30 10 N 4.3301 1.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 6.8985 3.4487 0.0 0
M  V30 13 N 2.598 0.0 0.0 0
M  V30 14 C 1.732 -0.5 0.0 0 CFG=2
M  V30 15 C 2.598 1.0 0.0 0
M  V30 16 C 1.732 -1.5 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 C 0.866 -1.9999 0.0 0
M  V30 19 C 2.598 -2.0 0.0 0
M  V30 20 C 0.866 1.0 0.0 0
M  V30 21 C 0.0 -0.5 0.0 0
M  V30 22 C 0.866 -2.9999 0.0 0
M  V30 23 C 2.598 -3.0 0.0 0
M  V30 24 C 1.732 -3.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13 CFG=3
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 17 21
M  V30 21 1 18 22
M  V30 22 2 19 23
M  V30 23 2 22 24
M  V30 24 1 7 10
M  V30 25 1 8 9
M  V30 26 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000621257047

>  <name>
NA

>  <smiles>
CC(C)C(N(C)Cc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccccc1

$$$$
ZINC001412225837
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 4.6888 1.2071 0.0 0
M  V30 2 O 5.1888 0.341 0.0 0
M  V30 3 O 4.1888 2.0731 0.0 0
M  V30 4 N 5.5548 1.7071 0.0 0
M  V30 5 C 3.8228 0.7071 0.0 0
M  V30 6 C 2.8568 0.9659 0.0 0
M  V30 7 C 3.564 -0.2588 0.0 0
M  V30 8 N 2.598 0.0 0.0 0
M  V30 9 C 1.732 -0.5 0.0 0
M  V30 10 O 1.732 -1.5 0.0 0
M  V30 11 C 0.866 0.0 0.0 0 CFG=2
M  V30 12 O 0.866 1.0 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0
M  V30 14 C -0.866 0.0 0.0 0
M  V30 15 C 0.0 -1.4999 0.0 0
M  V30 16 C -1.732 -0.4999 0.0 0
M  V30 17 C -0.866 -1.9999 0.0 0
M  V30 18 C -1.732 -1.4999 0.0 0
M  V30 19 C -2.598 0.0 0.0 0
M  V30 20 F -3.098 -0.866 0.0 0
M  V30 21 F -3.4641 0.5 0.0 0
M  V30 22 F -2.098 0.866 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 2 1 3
M  V30 3 1 1 4
M  V30 4 1 1 5
M  V30 5 1 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 11 9
M  V30 11 1 11 12 CFG=1
M  V30 12 1 11 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 1 19 22
M  V30 22 1 7 8
M  V30 23 1 17 18
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001412225837

>  <name>
NA

>  <smiles>
NS(=O)(=O)C1CN(C1)C(=O)C(O)c1cccc(c1)C(F)(F)F

$$$$
ZINC000598610281
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 2.598 -0.75 0.0 0
M  V30 2 C 3.8971 0.0 0.0 0
M  V30 3 C 1.299 0.0 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 C 3.8971 1.4999 0.0 0
M  V30 6 C 0.0 -0.75 0.0 0
M  V30 7 N 5.1961 -2.25 0.0 0
M  V30 8 C 6.4951 0.0 0.0 0
M  V30 9 C 5.1961 2.25 0.0 0
M  V30 10 C 3.8971 -3.0 0.0 0
M  V30 11 C 6.4951 1.5 0.0 0
M  V30 12 C 3.8971 -4.5 0.0 0
M  V30 13 N 2.598 -5.25 0.0 0
M  V30 14 C 5.1961 -5.25 0.0 0
M  V30 15 C 2.598 -6.75 0.0 0
M  V30 16 C 5.1961 -6.75 0.0 0
M  V30 17 N 1.4833 -7.7536 0.0 0
M  V30 18 N 3.8971 -7.5 0.0 0
M  V30 19 O 6.4951 -7.5 0.0 0
M  V30 20 C 2.0934 -9.124 0.0 0
M  V30 21 N 3.5852 -8.9672 0.0 0
M  V30 22 N 1.3434 -10.423 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 1 8 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 2 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 2 20 22
M  V30 22 1 9 11
M  V30 23 1 16 18
M  V30 24 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000598610281

>  <name>
NA

>  <smiles>
CCSC1CCCCC1NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC001416776549
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 13.1402 0.3881 0.0 0
M  V30 2 C 11.8412 -0.3617 0.0 0
M  V30 3 F 11.8411 1.1381 0.0 0
M  V30 4 C 10.3923 -0.75 0.0 0
M  V30 5 C 12.2294 -1.8106 0.0 0
M  V30 6 C 9.0932 0.0 0.0 0
M  V30 7 C 10.7805 -2.1988 0.0 0
M  V30 8 O 9.0932 1.5 0.0 0
M  V30 9 N 7.7942 -0.75 0.0 0
M  V30 10 C 6.4952 0.0 0.0 0
M  V30 11 C 5.1961 -0.75 0.0 0
M  V30 12 O 5.1961 -2.25 0.0 0
M  V30 13 C 3.8971 0.0 0.0 0
M  V30 14 N 2.598 -0.75 0.0 0
M  V30 15 C 1.299 0.0 0.0 0
M  V30 16 O 1.299 1.5 0.0 0
M  V30 17 C 0.0 -0.75 0.0 0
M  V30 18 N -1.3703 -0.1398 0.0 0
M  V30 19 C -0.1567 -2.2417 0.0 0
M  V30 20 C -2.374 -1.2546 0.0 0
M  V30 21 C -1.624 -2.5536 0.0 0
M  V30 22 C -3.8412 -1.5664 0.0 0
M  V30 23 C -2.6277 -3.6683 0.0 0
M  V30 24 C -3.998 -3.0582 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 4 6
M  V30 6 1 4 7
M  V30 7 2 6 8
M  V30 8 1 6 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 5 7
M  V30 25 2 20 21
M  V30 26 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001416776549

>  <name>
NA

>  <smiles>
OC(CNC(=O)C1CCC1(F)F)CNC(=O)c1cc2CCCc2[nH]1

$$$$
ZINC000856207422
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.8198 4.8478 0.0 0
M  V30 2 C 2.232 4.0388 0.0 0
M  V30 3 N 2.541 3.0877 0.0 0
M  V30 4 C 1.232 4.0388 0.0 0
M  V30 5 C 1.732 2.4999 0.0 0 CFG=2
M  V30 6 C 0.923 3.0877 0.0 0
M  V30 7 C 1.732 1.4999 0.0 0
M  V30 8 C 0.866 0.9999 0.0 0
M  V30 9 O 0.0 1.5 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C 0.7933 -1.1087 0.0 0
M  V30 13 C -0.9659 -0.2411 0.0 0
M  V30 14 C -0.2588 -1.4659 0.0 0
M  V30 15 C 0.6628 -2.1002 0.0 0
M  V30 16 C 1.7172 -0.726 0.0 0
M  V30 17 C -1.2247 -1.2071 0.0 0
M  V30 18 C 1.4561 -2.7089 0.0 0
M  V30 19 C 2.5105 -1.3348 0.0 0
M  V30 20 O 1.3256 -3.7004 0.0 0
M  V30 21 C 2.38 -2.3262 0.0 0
M  V30 22 C 2.119 -4.3091 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 3
M  V30 5 1 4 6
M  V30 6 1 5 7 CFG=1
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 13 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 1 18 20
M  V30 20 2 18 21
M  V30 21 1 20 22
M  V30 22 1 5 6
M  V30 23 1 14 17
M  V30 24 1 19 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000856207422

>  <name>
NA

>  <smiles>
COc1cccc(c1)C1(CCC1)NC(=O)CC1CCC(=O)N1

$$$$
ZINC000834516899
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.0621 -2.0 0.0 0
M  V30 2 C 5.1961 -1.5 0.0 0
M  V30 3 C 5.1961 -0.5 0.0 0
M  V30 4 C 4.3301 -1.9999 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0
M  V30 6 C 3.4641 -1.4999 0.0 0
M  V30 7 N 4.3301 0.9999 0.0 0
M  V30 8 C 3.4641 -0.4999 0.0 0
M  V30 9 C 3.4641 1.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 O 3.4641 2.5 0.0 0
M  V30 12 C 2.598 0.9999 0.0 0
M  V30 13 C 1.732 -0.5 0.0 0
M  V30 14 O 1.732 -1.5 0.0 0
M  V30 15 N 0.866 0.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 C -0.9135 -0.0932 0.0 0
M  V30 18 C -0.1045 -1.4945 0.0 0
M  V30 19 C -1.1214 0.8848 0.0 0
M  V30 20 C -1.5826 -0.8364 0.0 0
M  V30 21 N -1.0826 -1.7024 0.0 0
M  V30 22 N -1.3293 1.863 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 3 19 22
M  V30 22 1 6 8
M  V30 23 2 10 12
M  V30 24 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000834516899

>  <name>
NA

>  <smiles>
OC(NC1CNCC1C#N)c1cc(=O)[nH]c2cc(F)ccc12

$$$$
ZINC001500719652
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 7.8139 1.9455 0.0 0
M  V30 2 C 7.1448 1.2024 0.0 0
M  V30 3 C 8.7275 1.5388 0.0 0
M  V30 4 N 6.1667 0.9945 0.0 0
M  V30 5 C 7.6448 0.3364 0.0 0
M  V30 6 C 8.623 0.5443 0.0 0
M  V30 7 C 6.0621 0.0 0.0 0
M  V30 8 C 6.9757 -0.4067 0.0 0
M  V30 9 C 5.1961 -0.5 0.0 0
M  V30 10 O 5.1961 -1.4999 0.0 0
M  V30 11 N 4.3301 0.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 13 C 3.4641 -1.5 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 C 2.598 -1.9999 0.0 0
M  V30 16 C 4.3301 -2.0 0.0 0
M  V30 17 N 1.732 -0.5 0.0 0
M  V30 18 C 0.866 0.0 0.0 0
M  V30 19 O 0.866 1.0 0.0 0
M  V30 20 C 0.0 -0.5 0.0 0
M  V30 21 O -0.9135 -0.0932 0.0 0
M  V30 22 C -0.1045 -1.4945 0.0 0
M  V30 23 C -1.5826 -0.8364 0.0 0
M  V30 24 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 2 4
M  V30 4 2 2 5
M  V30 5 2 3 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 12 11 CFG=3
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 2 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 5 6
M  V30 25 2 7 8
M  V30 26 2 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001500719652

>  <name>
NA

>  <smiles>
CC(C)C(CNC(=O)c1ccco1)NC(=O)c1cc2ccsc2[nH]1

$$$$
ZINC000621273710
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.4952 -4.5 0.0 0
M  V30 2 C 6.4952 -3.0 0.0 0
M  V30 3 N 7.7942 -2.25 0.0 0
M  V30 4 C 5.1961 -2.25 0.0 0
M  V30 5 N 9.2208 -2.7135 0.0 0
M  V30 6 C 7.7942 -0.75 0.0 0
M  V30 7 C 5.1961 -0.75 0.0 0
M  V30 8 C 10.1025 -1.5 0.0 0
M  V30 9 N 9.2208 -0.2864 0.0 0
M  V30 10 N 6.4952 0.0 0.0 0
M  V30 11 C 3.8971 0.0 0.0 0
M  V30 12 N 11.6025 -1.5 0.0 0
M  V30 13 N 2.598 -0.75 0.0 0
M  V30 14 C 1.299 0.0 0.0 0
M  V30 15 C 0.0 -0.75 0.0 0
M  V30 16 C 2.049 1.299 0.0 0
M  V30 17 C 0.549 1.299 0.0 0
M  V30 18 C -1.299 0.0 0.0 0
M  V30 19 C 0.0 -2.25 0.0 0
M  V30 20 C -2.598 -0.75 0.0 0
M  V30 21 C -1.299 -3.0 0.0 0
M  V30 22 C -2.598 -2.25 0.0 0
M  V30 23 C -3.8971 0.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 15 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 7 10
M  V30 24 1 8 9
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000621273710

>  <name>
NA

>  <smiles>
Cc1cccc(c1)C(C)(C)NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC001416172468
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 -1.5 0.0 0
M  V30 2 C 5.1961 -0.5 0.0 0
M  V30 3 N 4.3301 0.0 0.0 0
M  V30 4 C 6.0621 0.0 0.0 0
M  V30 5 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 6 N 6.1667 0.9945 0.0 0
M  V30 7 C 6.9757 -0.4067 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 C 3.4641 -1.5 0.0 0
M  V30 10 C 7.1448 1.2024 0.0 0
M  V30 11 C 7.6448 0.3364 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 4.3301 -2.0 0.0 0
M  V30 14 C 7.8139 1.9455 0.0 0
M  V30 15 C 8.623 0.5443 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 8.7275 1.5388 0.0 0
M  V30 18 O 0.866 1.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 N -0.9135 -0.0932 0.0 0
M  V30 21 C -0.1045 -1.4945 0.0 0
M  V30 22 C -1.5826 -0.8364 0.0 0
M  V30 23 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 3 CFG=1
M  V30 5 1 4 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 8 12
M  V30 12 1 9 13
M  V30 13 1 10 14
M  V30 14 1 11 15
M  V30 15 1 12 16
M  V30 16 1 14 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 1 19 20
M  V30 20 2 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 10 11
M  V30 24 1 15 17
M  V30 25 2 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001416172468

>  <name>
NA

>  <smiles>
CCC(CNC(=O)c1ccc[nH]1)NC(=O)c1cc2CCCc2[nH]1

$$$$
ZINC001412011089
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.4951 -4.5 0.0 0
M  V30 2 C 6.4951 -3.0 0.0 0
M  V30 3 C 7.7942 -2.25 0.0 0
M  V30 4 C 5.1961 -2.25 0.0 0
M  V30 5 O 9.0932 -3.0 0.0 0
M  V30 6 C 7.7942 -0.75 0.0 0
M  V30 7 C 5.1961 -0.75 0.0 0
M  V30 8 C 6.4951 0.0 0.0 0
M  V30 9 C 3.8971 0.0 0.0 0
M  V30 10 C 2.598 -0.75 0.0 0
M  V30 11 O 2.598 -2.25 0.0 0
M  V30 12 N 1.299 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0 CFG=2
M  V30 14 C 0.0 -2.25 0.0 0
M  V30 15 C -1.299 0.0 0.0 0
M  V30 16 C -1.299 -2.9999 0.0 0
M  V30 17 C 1.1147 -3.2536 0.0 0
M  V30 18 C -2.598 -0.7499 0.0 0
M  V30 19 N -0.9871 -4.4672 0.0 0
M  V30 20 C -2.598 -2.2499 0.0 0
M  V30 21 N 0.5046 -4.624 0.0 0
M  V30 22 C -1.9908 -5.5819 0.0 0
M  V30 23 C -3.458 -5.27 0.0 0
M  V30 24 O -4.4617 -6.3847 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 6 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 13 12 CFG=3
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 16 20
M  V30 20 2 17 21
M  V30 21 1 19 22
M  V30 22 1 22 23
M  V30 23 1 23 24
M  V30 24 1 7 8
M  V30 25 1 18 20
M  V30 26 1 19 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001412011089

>  <name>
NA

>  <smiles>
OCCn1ncc2C(CCCc12)NC(=O)Cc1ccc(O)c(F)c1

$$$$
ZINC001163975469
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.0621 0.0 0.0 0
M  V30 2 C 5.1961 -0.5 0.0 0
M  V30 3 N 4.3301 0.0 0.0 0
M  V30 4 N 5.1961 -1.4999 0.0 0
M  V30 5 C 3.4641 -0.5 0.0 0
M  V30 6 O 3.4641 -1.5 0.0 0
M  V30 7 C 2.598 0.0 0.0 0
M  V30 8 N 1.732 -0.5 0.0 0
M  V30 9 C 0.866 0.0 0.0 0
M  V30 10 C 0.0 -0.5 0.0 0
M  V30 11 C -1.0 -0.4999 0.0 0
M  V30 12 C -0.5 -1.366 0.0 0
M  V30 13 C 0.7071 -1.2071 0.0 0
M  V30 14 C 0.4482 -2.173 0.0 0
M  V30 15 N 1.1553 -2.8801 0.0 0
M  V30 16 C 0.8965 -3.846 0.0 0
M  V30 17 O -0.0693 -4.1048 0.0 0
M  V30 18 C 1.6036 -4.5531 0.0 0
M  V30 19 N 1.4472 -5.5408 0.0 0
M  V30 20 C 2.5913 -4.3967 0.0 0
M  V30 21 C 2.3382 -5.9948 0.0 0
M  V30 22 C 3.0453 -5.2877 0.0 0
M  V30 23 C 4.033 -5.4441 0.0 0
M  V30 24 N 5.0207 -5.6006 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 10 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 2 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 22 23
M  V30 23 3 23 24
M  V30 24 1 11 12
M  V30 25 2 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001163975469

>  <name>
NA

>  <smiles>
NC(=O)NC(=O)CNCC1(CCNC(=O)c2cc(c[nH]2)C#N)CC1

$$$$
ZINC000621272761
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 3.8971 6.0 0.0 0
M  V30 2 C 3.8971 4.5 0.0 0
M  V30 3 C 2.598 3.75 0.0 0
M  V30 4 C 5.1961 3.75 0.0 0
M  V30 5 C 2.598 2.25 0.0 0
M  V30 6 C 5.1961 2.25 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 3.8971 0.0 0.0 0 CFG=1
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 5.1961 -0.75 0.0 0
M  V30 11 C 1.299 0.0 0.0 0
M  V30 12 C 6.4951 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 N -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.2499 0.0 0
M  V30 16 C -2.598 -0.7499 0.0 0
M  V30 17 C -1.299 -2.9999 0.0 0
M  V30 18 N -4.0246 -0.2864 0.0 0
M  V30 19 N -2.598 -2.2499 0.0 0
M  V30 20 O -1.299 -4.4999 0.0 0
M  V30 21 C -4.9063 -1.4999 0.0 0
M  V30 22 N -4.0246 -2.7135 0.0 0
M  V30 23 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 7
M  V30 8 1 8 9 CFG=3
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 21 23
M  V30 23 1 6 7
M  V30 24 1 17 19
M  V30 25 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000621272761

>  <name>
NA

>  <smiles>
CCC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccc(Cl)cc1

$$$$
ZINC000662440855
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 5.0388 -5.8493 0.0 0
M  V30 2 C 4.6321 -4.9358 0.0 0
M  V30 3 C 5.2199 -4.1267 0.0 0
M  V30 4 C 3.6376 -4.8312 0.0 0
M  V30 5 C 4.8131 -3.2132 0.0 0
M  V30 6 C 3.2308 -3.9177 0.0 0
M  V30 7 C 3.8186 -3.1087 0.0 0
M  V30 8 C 5.4009 -2.4042 0.0 0 CFG=1
M  V30 9 O 6.3954 -2.5087 0.0 0
M  V30 10 C 4.9942 -1.4906 0.0 0
M  V30 11 C 6.9832 -1.6997 0.0 0
M  V30 12 N 5.582 -0.6816 0.0 0
M  V30 13 C 6.5765 -0.7861 0.0 0
M  V30 14 C 5.1752 0.2318 0.0 0
M  V30 15 O 5.763 1.0408 0.0 0
M  V30 16 C 4.1807 0.3364 0.0 0
M  V30 17 N 3.6807 1.2024 0.0 0
M  V30 18 C 3.5116 -0.4067 0.0 0
M  V30 19 N 2.7026 0.9945 0.0 0
M  V30 20 N 2.598 0.0 0.0 0
M  V30 21 C 1.732 -0.5 0.0 0
M  V30 22 C 0.866 0.0 0.0 0
M  V30 23 N 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 5 CFG=3
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 16 17
M  V30 17 2 16 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 6 7
M  V30 24 1 12 13
M  V30 25 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000662440855

>  <name>
NA

>  <smiles>
NCCn1cc(nn1)C(=O)N1CCOC(C1)c1cccc(F)c1

$$$$
ZINC000654876119
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.8985 3.4487 0.0 0
M  V30 2 C 6.3985 2.5826 0.0 0
M  V30 3 N 5.404 2.4781 0.0 0
M  V30 4 N 6.8053 1.6691 0.0 0
M  V30 5 C 5.1961 1.5 0.0 0
M  V30 6 C 4.7349 3.2212 0.0 0
M  V30 7 C 6.0621 1.0 0.0 0
M  V30 8 C 7.7834 1.4612 0.0 0
M  V30 9 C 4.3301 1.0 0.0 0
M  V30 10 C 6.0621 0.0 0.0 0
M  V30 11 C 4.3301 0.0 0.0 0
M  V30 12 C 5.1961 -0.4999 0.0 0
M  V30 13 N 3.4641 -0.5 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 O 2.598 1.0 0.0 0
M  V30 16 C 1.732 -0.5 0.0 0
M  V30 17 O 1.732 -1.5 0.0 0
M  V30 18 N 0.866 0.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 C -0.9135 -0.0932 0.0 0
M  V30 21 C -0.1045 -1.4945 0.0 0
M  V30 22 C 0.8386 -1.0446 0.0 0
M  V30 23 C -1.5826 -0.8364 0.0 0
M  V30 24 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 21 24
M  V30 24 2 5 7
M  V30 25 1 11 12
M  V30 26 2 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000654876119

>  <name>
NA

>  <smiles>
Cn1c2ccc(NC(=O)C(=O)NC3(C)CC=CC3)cc2n(C)c1=O

$$$$
ZINC001704842321
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 7.8139 1.9455 0.0 0
M  V30 2 C 7.1448 1.2024 0.0 0
M  V30 3 C 8.7275 1.5388 0.0 0
M  V30 4 C 7.6448 0.3364 0.0 0
M  V30 5 C 6.1667 0.9945 0.0 0
M  V30 6 C 8.623 0.5443 0.0 0
M  V30 7 N 6.9757 -0.4067 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 C 5.1961 -0.5 0.0 0
M  V30 10 O 5.1961 -1.4999 0.0 0
M  V30 11 N 4.3301 0.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 13 C 3.4641 -1.5 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 C 2.598 -1.9999 0.0 0
M  V30 16 C 4.3301 -2.0 0.0 0
M  V30 17 N 1.732 -0.5 0.0 0
M  V30 18 C 0.866 0.0 0.0 0
M  V30 19 O 0.866 1.0 0.0 0
M  V30 20 C 0.0 -0.5 0.0 0
M  V30 21 C -0.9135 -0.0932 0.0 0
M  V30 22 C -0.1045 -1.4945 0.0 0
M  V30 23 C -1.5826 -0.8364 0.0 0
M  V30 24 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 4 7
M  V30 7 2 5 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 12 11 CFG=3
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 2 20 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 4 6
M  V30 25 1 7 8
M  V30 26 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001704842321

>  <name>
NA

>  <smiles>
CC(C)C(CNC(=O)C1=CCCC1)NC(=O)c1cc2sccc2[nH]1

$$$$
ZINC001365330426
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 7.1531 -3.4368 0.0 0
M  V30 2 C 5.9137 -4.2818 0.0 0
M  V30 3 F 6.7587 -5.5212 0.0 0
M  V30 4 F 4.6744 -5.1268 0.0 0
M  V30 5 C 5.0688 -3.0425 0.0 0 CFG=1
M  V30 6 O 5.8188 -1.7434 0.0 0
M  V30 7 C 3.5855 -3.266 0.0 0
M  V30 8 C 5.2707 -0.3471 0.0 0
M  V30 9 C 2.4859 -2.2458 0.0 0
M  V30 10 C 3.8374 0.0949 0.0 0
M  V30 11 N 2.598 -0.75 0.0 0
M  V30 12 C 1.299 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 N -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.2499 0.0 0
M  V30 16 C -2.598 -0.7499 0.0 0
M  V30 17 C -1.299 -2.9999 0.0 0
M  V30 18 N -4.0246 -0.2864 0.0 0
M  V30 19 N -2.598 -2.2499 0.0 0
M  V30 20 O -1.299 -4.5 0.0 0
M  V30 21 C -4.9063 -1.4999 0.0 0
M  V30 22 N -4.0246 -2.7135 0.0 0
M  V30 23 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 2 CFG=3
M  V30 5 1 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 21 23
M  V30 23 1 10 11
M  V30 24 1 17 19
M  V30 25 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001365330426

>  <name>
NA

>  <smiles>
FC(F)(F)C1CCN(Cc2cc(=O)n3[nH]c(=N)nc3[nH]2)CCO1

$$$$
ZINC001545917626
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 0.0 0.0 0
M  V30 2 C 3.4641 -0.5 0.0 0
M  V30 3 N 2.598 0.0 0.0 0
M  V30 4 C 3.4641 -1.5 0.0 0
M  V30 5 C 1.732 -0.5 0.0 0
M  V30 6 C 2.598 -1.9999 0.0 0
M  V30 7 C 4.3301 -2.0 0.0 0
M  V30 8 C 0.866 0.0 0.0 0
M  V30 9 N 1.647 -1.6909 0.0 0
M  V30 10 C 2.598 -3.0 0.0 0
M  V30 11 C 4.3301 -2.9999 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C 1.0592 -2.4999 0.0 0
M  V30 14 N 1.647 -3.309 0.0 0
M  V30 15 C 3.4641 -3.5 0.0 0
M  V30 16 N -0.9135 -0.0932 0.0 0
M  V30 17 C -0.1045 -1.4945 0.0 0
M  V30 18 C -1.5826 -0.8364 0.0 0
M  V30 19 C -1.0826 -1.7024 0.0 0
M  V30 20 C -2.5826 -0.8364 0.0 0
M  V30 21 C -1.5826 -2.5684 0.0 0
M  V30 22 C -3.0826 -1.7024 0.0 0
M  V30 23 C -2.5826 -2.5684 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 2 7 11
M  V30 11 1 8 12
M  V30 12 2 9 13
M  V30 13 1 10 14
M  V30 14 2 10 15
M  V30 15 1 12 16
M  V30 16 2 12 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 2 21 23
M  V30 23 1 11 15
M  V30 24 1 13 14
M  V30 25 2 18 19
M  V30 26 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001545917626

>  <name>
NA

>  <smiles>
O=C(NCCc1cc2ccccc2[nH]1)c1cccc2[nH]cnc12

$$$$
ZINC001361703916
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.4074 0.9526 0.0 0
M  V30 2 C 3.5164 0.4986 0.0 0
M  V30 3 F 2.6777 1.0432 0.0 0
M  V30 4 C 3.4641 -0.4999 0.0 0
M  V30 5 N 2.598 0.0 0.0 0
M  V30 6 C 3.5686 -1.4945 0.0 0
M  V30 7 C 4.3776 -0.0932 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0 CFG=1
M  V30 9 C 4.5467 -1.7024 0.0 0
M  V30 10 C 5.0467 -0.8364 0.0 0
M  V30 11 O 0.866 0.0 0.0 0
M  V30 12 C 1.732 -1.5 0.0 0
M  V30 13 C 0.866 -1.9999 0.0 0
M  V30 14 C 2.598 -2.0 0.0 0
M  V30 15 C 0.866 -2.9999 0.0 0
M  V30 16 C 0.0 -1.4999 0.0 0
M  V30 17 C 2.598 -3.0 0.0 0
M  V30 18 N 1.732 -3.5 0.0 0
M  V30 19 C 0.0 -3.4999 0.0 0
M  V30 20 C -0.866 -1.9999 0.0 0
M  V30 21 O 3.4641 -3.5 0.0 0
M  V30 22 C -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 4 5
M  V30 5 1 4 6
M  V30 6 1 4 7
M  V30 7 1 8 5
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 1 8 11 CFG=3
M  V30 11 1 8 12
M  V30 12 1 12 13
M  V30 13 2 12 14
M  V30 14 2 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 15 19
M  V30 19 2 16 20
M  V30 20 2 17 21
M  V30 21 2 19 22
M  V30 22 1 9 10
M  V30 23 1 17 18
M  V30 24 1 20 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001361703916

>  <name>
NA

>  <smiles>
OC(NC1(CCCC1)C(F)F)c1cc(=O)[nH]c2ccccc12

$$$$
ZINC001498910096
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 7.8139 1.9455 0.0 0
M  V30 2 C 7.1448 1.2024 0.0 0
M  V30 3 C 8.7275 1.5388 0.0 0
M  V30 4 N 6.1667 0.9945 0.0 0
M  V30 5 C 7.6448 0.3364 0.0 0
M  V30 6 C 8.623 0.5443 0.0 0
M  V30 7 C 6.0621 0.0 0.0 0
M  V30 8 C 6.9757 -0.4067 0.0 0
M  V30 9 C 5.1961 -0.5 0.0 0
M  V30 10 O 5.1961 -1.4999 0.0 0
M  V30 11 N 4.3301 0.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 C 3.4641 -1.5 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 4.3301 -2.0 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 O 0.866 1.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 N -0.9135 -0.0932 0.0 0
M  V30 21 C -0.1045 -1.4945 0.0 0
M  V30 22 C -1.5826 -0.8364 0.0 0
M  V30 23 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 2 4
M  V30 4 2 2 5
M  V30 5 2 3 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 12 11 CFG=1
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 2 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 5 6
M  V30 24 2 7 8
M  V30 25 2 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001498910096

>  <name>
NA

>  <smiles>
CCC(CNC(=O)c1ccc[nH]1)NC(=O)c1cc2ccsc2[nH]1

$$$$
ZINC000346763197
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 9.0932 0.0 0.0 0
M  V30 2 C 7.7942 -0.75 0.0 0
M  V30 3 C 6.4951 0.0 0.0 0
M  V30 4 C 7.7942 -2.2499 0.0 0
M  V30 5 C 5.1961 -0.75 0.0 0
M  V30 6 C 6.4951 -3.0 0.0 0
M  V30 7 O 3.8971 0.0 0.0 0
M  V30 8 C 5.1961 -2.2499 0.0 0
M  V30 9 C 3.8971 1.4999 0.0 0
M  V30 10 N 3.8971 -2.9999 0.0 0
M  V30 11 C 2.598 2.2499 0.0 0
M  V30 12 C 2.598 -2.2499 0.0 0
M  V30 13 F 1.299 1.4999 0.0 0
M  V30 14 F 2.598 3.75 0.0 0
M  V30 15 O 2.598 -0.75 0.0 0
M  V30 16 C 1.299 -2.9999 0.0 0
M  V30 17 C 0.0 -2.2499 0.0 0
M  V30 18 C 1.299 -4.4999 0.0 0
M  V30 19 C -1.299 -2.9999 0.0 0
M  V30 20 C 0.0 -5.2499 0.0 0
M  V30 21 O -2.598 -2.2499 0.0 0
M  V30 22 N -1.299 -4.4999 0.0 0
M  V30 23 C 0.0 -6.7499 0.0 0
M  V30 24 C 1.299 -7.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 6 8
M  V30 25 1 20 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000346763197

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)Nc1ccc(F)cc1OCC(F)F

$$$$
ZINC001405335412
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 8.6393 0.2318 0.0 0
M  V30 2 C 7.6448 0.3364 0.0 0
M  V30 3 C 7.1448 1.2024 0.0 0
M  V30 4 C 6.9757 -0.4067 0.0 0
M  V30 5 N 6.1667 0.9945 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 O 5.1961 -1.4999 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0 CFG=2
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 1.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 O 1.732 1.5 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.9135 -0.0932 0.0 0
M  V30 19 C -0.1045 -1.4945 0.0 0
M  V30 20 C -1.5826 -0.8364 0.0 0
M  V30 21 C -1.0826 -1.7024 0.0 0
M  V30 22 C -2.5608 -1.0443 0.0 0
M  V30 23 C -1.7518 -2.4455 0.0 0
M  V30 24 C -2.6653 -2.0388 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 11 10
M  V30 11 1 11 12 CFG=3
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 5 6
M  V30 25 2 20 21
M  V30 26 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001405335412

>  <name>
NA

>  <smiles>
OCC(CNC(=O)c1cc(F)c[nH]1)NC(=O)c1cc2CCCc2[nH]1

$$$$
ZINC001166238034
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.4946 -6.9825 0.0 0
M  V30 2 C 2.3382 -5.9948 0.0 0
M  V30 3 C 3.0453 -5.2877 0.0 0
M  V30 4 C 1.4472 -5.5408 0.0 0
M  V30 5 N 2.5913 -4.3967 0.0 0
M  V30 6 C 1.6036 -4.5531 0.0 0
M  V30 7 C 0.8965 -3.846 0.0 0
M  V30 8 O -0.0693 -4.1048 0.0 0
M  V30 9 N 1.1553 -2.8801 0.0 0
M  V30 10 C 0.4482 -2.173 0.0 0
M  V30 11 C 0.7071 -1.2071 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C -1.0 -0.4999 0.0 0
M  V30 14 C -0.5 -1.366 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 N 1.732 -0.5 0.0 0
M  V30 17 C 2.598 0.0 0.0 0
M  V30 18 C 3.4641 -0.5 0.0 0
M  V30 19 O 3.4641 -1.5 0.0 0
M  V30 20 N 4.3301 0.0 0.0 0
M  V30 21 C 5.1961 -0.5 0.0 0
M  V30 22 O 6.0621 0.0 0.0 0
M  V30 23 N 5.1961 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 2 21 22
M  V30 22 1 21 23
M  V30 23 1 5 6
M  V30 24 1 13 14
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001166238034

>  <name>
NA

>  <smiles>
NC(=O)NC(=O)CNCC1(CCNC(=O)c2cc(F)c[nH]2)CC1

$$$$
ZINC001351141713
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 -0.4999 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 N 4.3301 1.0 0.0 0
M  V30 4 C 3.4641 -0.4999 0.0 0
M  V30 5 N 5.0732 1.6691 0.0 0
M  V30 6 C 3.4641 1.5 0.0 0
M  V30 7 C 2.598 0.0 0.0 0
M  V30 8 C 4.6665 2.5826 0.0 0
M  V30 9 N 3.672 2.4781 0.0 0
M  V30 10 N 2.598 1.0 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0
M  V30 12 N 5.1665 3.4487 0.0 0
M  V30 13 N 0.866 0.0 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0
M  V30 15 C -0.2588 0.4659 0.0 0
M  V30 16 C -0.4999 -1.366 0.0 0
M  V30 17 C -0.9999 -0.5 0.0 0
M  V30 18 C -1.2247 0.7247 0.0 0
M  V30 19 C 0.4482 1.173 0.0 0
M  V30 20 C -1.4835 1.6906 0.0 0
M  V30 21 C 0.1894 2.1389 0.0 0
M  V30 22 O -2.4494 1.9494 0.0 0
M  V30 23 C -0.7764 2.3977 0.0 0
M  V30 24 C -2.7083 2.9154 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 15 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 20 22
M  V30 22 2 20 23
M  V30 23 1 22 24
M  V30 24 1 7 10
M  V30 25 1 8 9
M  V30 26 1 16 17
M  V30 27 1 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001351141713

>  <name>
NA

>  <smiles>
COc1cccc(c1)C1(CC1)NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC001646008991
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -3.0 0.0 0
M  V30 2 C 2.598 -1.9999 0.0 0
M  V30 3 N 3.4641 -1.4999 0.0 0
M  V30 4 C 1.732 -1.4999 0.0 0
M  V30 5 N 4.4151 -1.809 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 C 5.0029 -0.9999 0.0 0
M  V30 9 N 4.4151 -0.1909 0.0 0
M  V30 10 N 2.598 0.0 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 N 6.0029 -0.9999 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C -0.9135 -0.0932 0.0 0 CFG=2
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 C -1.5826 -0.8364 0.0 0
M  V30 17 C -1.1214 0.8848 0.0 0
M  V30 18 C -0.1363 0.536 0.0 0
M  V30 19 C -1.0826 -1.7024 0.0 0
M  V30 20 O -2.0725 1.1939 0.0 0
M  V30 21 C -0.2928 1.5237 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 14 17 CFG=3
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 7 10
M  V30 22 1 8 9
M  V30 23 1 16 19
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001646008991

>  <name>
NA

>  <smiles>
CCC1(CO)CCCN1Cc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC001118804656
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.4952 -4.5 0.0 0
M  V30 2 C 6.4952 -3.0 0.0 0
M  V30 3 N 7.7942 -2.25 0.0 0
M  V30 4 C 5.1961 -2.25 0.0 0
M  V30 5 N 9.2208 -2.7135 0.0 0
M  V30 6 C 7.7942 -0.75 0.0 0
M  V30 7 C 5.1961 -0.75 0.0 0
M  V30 8 C 10.1025 -1.5 0.0 0
M  V30 9 N 9.2208 -0.2864 0.0 0
M  V30 10 N 6.4952 0.0 0.0 0
M  V30 11 C 3.8971 0.0 0.0 0
M  V30 12 N 11.6025 -1.5 0.0 0
M  V30 13 N 2.598 -0.75 0.0 0
M  V30 14 C 1.299 0.0 0.0 0
M  V30 15 C 0.0 -0.75 0.0 0
M  V30 16 C 2.049 1.299 0.0 0
M  V30 17 C 0.549 1.299 0.0 0
M  V30 18 C -1.299 0.0 0.0 0
M  V30 19 C 0.0 -2.25 0.0 0
M  V30 20 C -2.598 -0.75 0.0 0
M  V30 21 C -1.299 -3.0 0.0 0
M  V30 22 C -2.598 -2.25 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 15 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 7 10
M  V30 23 1 8 9
M  V30 24 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001118804656

>  <name>
NA

>  <smiles>
CC(C)(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccccc1

$$$$
ZINC001511080852
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 9.5262 0.0 0.0 0
M  V30 2 C 8.6602 -0.5 0.0 0
M  V30 3 N 7.7942 0.0 0.0 0
M  V30 4 C 8.6602 -1.5 0.0 0
M  V30 5 C 6.9282 -0.5 0.0 0
M  V30 6 C 7.7942 -2.0 0.0 0
M  V30 7 C 6.0621 0.0 0.0 0
M  V30 8 C 6.9282 -1.5 0.0 0
M  V30 9 O 6.0621 0.9999 0.0 0
M  V30 10 N 5.1961 -0.5 0.0 0
M  V30 11 C 4.3301 0.0 0.0 0 CFG=2
M  V30 12 C 4.3301 1.0 0.0 0
M  V30 13 C 3.4641 -0.5 0.0 0
M  V30 14 O 3.4641 1.5 0.0 0
M  V30 15 N 2.598 0.0 0.0 0
M  V30 16 C 1.732 -0.5 0.0 0
M  V30 17 O 1.732 -1.5 0.0 0
M  V30 18 C 0.866 0.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 N -0.9135 -0.0932 0.0 0
M  V30 21 N -0.1045 -1.4945 0.0 0
M  V30 22 C -1.5826 -0.8364 0.0 0
M  V30 23 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 2 7 9
M  V30 9 1 7 10
M  V30 10 1 11 10 CFG=1
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 6 8
M  V30 24 2 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001511080852

>  <name>
NA

>  <smiles>
OCC(CNC(=O)Cc1ncc[nH]1)NC(=O)c1cccc(=O)[nH]1

$$$$
ZINC001209420226
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 0.0 0.0 0
M  V30 2 C 3.4641 -0.5 0.0 0
M  V30 3 N 3.4641 -1.5 0.0 0
M  V30 4 C 2.598 0.0 0.0 0
M  V30 5 C 2.598 -2.0 0.0 0
M  V30 6 C 4.3301 -1.9999 0.0 0
M  V30 7 N 2.598 0.9999 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 C 2.598 -3.0 0.0 0
M  V30 10 C 4.3301 -2.9999 0.0 0
M  V30 11 C 3.4641 1.4999 0.0 0
M  V30 12 C 0.866 0.0 0.0 0
M  V30 13 N 1.732 -3.5 0.0 0
M  V30 14 C 3.4641 -3.5 0.0 0
M  V30 15 O 4.3301 1.0 0.0 0
M  V30 16 C 3.4641 2.5 0.0 0
M  V30 17 N -0.0475 -0.4067 0.0 0
M  V30 18 C 0.7614 0.9945 0.0 0
M  V30 19 C 1.732 -4.5 0.0 0
M  V30 20 C -0.7166 0.3364 0.0 0
M  V30 21 N -0.2166 1.2024 0.0 0
M  V30 22 C 0.866 -5.0 0.0 0
M  V30 23 O 0.0 -4.5 0.0 0
M  V30 24 N 0.866 -6.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 8 12
M  V30 12 1 9 13
M  V30 13 1 9 14
M  V30 14 2 11 15
M  V30 15 1 11 16
M  V30 16 1 12 17
M  V30 17 2 12 18
M  V30 18 1 13 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 22 23
M  V30 23 1 22 24
M  V30 24 1 10 14
M  V30 25 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001209420226

>  <name>
NA

>  <smiles>
CC(=O)NC(Cc1c[nH]cn1)C(=O)N1CCCC(C1)NCC(N)=O

$$$$
ZINC001413178474
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.4641 -4.4999 0.0 0
M  V30 2 C 3.4641 -3.4999 0.0 0
M  V30 3 C 4.3301 -3.0 0.0 0
M  V30 4 C 2.598 -2.9999 0.0 0
M  V30 5 C 4.3301 -2.0 0.0 0
M  V30 6 C 2.598 -1.9999 0.0 0
M  V30 7 N 5.1961 -1.5 0.0 0
M  V30 8 C 3.4641 -1.5 0.0 0
M  V30 9 C 5.1961 -0.5 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 O 6.0621 0.0 0.0 0
M  V30 12 C 4.3301 0.0 0.0 0
M  V30 13 C 2.598 0.0 0.0 0 CFG=2
M  V30 14 O 2.598 1.0 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 C -1.732 -1.4999 0.0 0
M  V30 23 C -2.598 -1.9999 0.0 0
M  V30 24 O -2.598 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 13 10
M  V30 13 1 13 14 CFG=1
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 22 23
M  V30 23 1 23 24
M  V30 24 1 6 8
M  V30 25 2 10 12
M  V30 26 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001413178474

>  <name>
NA

>  <smiles>
OCc1ccc(CNC(O)c2cc(=O)[nH]c3cc(F)ccc23)cc1

$$$$
ZINC000359822653
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.8689 0.5 0.0 0
M  V30 2 C 5.8689 0.5 0.0 0
M  V30 3 N 5.2811 1.309 0.0 0
M  V30 4 N 5.2811 -0.309 0.0 0
M  V30 5 C 4.3301 1.0 0.0 0
M  V30 6 C 5.5902 2.26 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 5.5902 -1.26 0.0 0
M  V30 9 C 3.4641 1.4999 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.9999 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 O 1.732 1.4999 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.9135 -0.0932 0.0 0
M  V30 19 C -0.1045 -1.4945 0.0 0
M  V30 20 C -1.5826 -0.8364 0.0 0
M  V30 21 C -1.0826 -1.7024 0.0 0
M  V30 22 C -1.4894 -2.6159 0.0 0
M  V30 23 O -2.4839 -2.7205 0.0 0
M  V30 24 C -0.9016 -3.4249 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 2 22 23
M  V30 23 1 22 24
M  V30 24 2 5 7
M  V30 25 1 11 12
M  V30 26 2 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000359822653

>  <name>
NA

>  <smiles>
CC(=O)c1c[nH]c(c1)C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1O

$$$$
ZINC001185378133
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 0.0 0.0 0
M  V30 2 C 3.4641 -0.5 0.0 0
M  V30 3 N 3.4641 -1.5 0.0 0
M  V30 4 C 2.598 0.0 0.0 0
M  V30 5 C 2.655 -2.0877 0.0 0
M  V30 6 C 4.2731 -2.0877 0.0 0
M  V30 7 N 2.598 0.9999 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 C 2.9641 -3.0388 0.0 0
M  V30 10 C 3.9641 -3.0388 0.0 0
M  V30 11 C 3.4641 1.4999 0.0 0
M  V30 12 C 0.866 0.0 0.0 0
M  V30 13 N 2.3763 -3.8478 0.0 0
M  V30 14 O 4.3301 1.0 0.0 0
M  V30 15 C 3.4641 2.5 0.0 0
M  V30 16 N -0.0475 -0.4067 0.0 0
M  V30 17 C 0.7614 0.9945 0.0 0
M  V30 18 C 2.783 -4.7614 0.0 0
M  V30 19 C -0.7166 0.3364 0.0 0
M  V30 20 N -0.2166 1.2024 0.0 0
M  V30 21 C 2.1952 -5.5704 0.0 0
M  V30 22 O 1.2007 -5.4658 0.0 0
M  V30 23 N 2.602 -6.4839 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 8 12
M  V30 12 1 9 13
M  V30 13 2 11 14
M  V30 14 1 11 15
M  V30 15 1 12 16
M  V30 16 2 12 17
M  V30 17 1 13 18
M  V30 18 2 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 2 21 22
M  V30 22 1 21 23
M  V30 23 1 9 10
M  V30 24 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001185378133

>  <name>
NA

>  <smiles>
CC(=O)NC(Cc1c[nH]cn1)C(=O)N1CCC(C1)NCC(N)=O

$$$$
ZINC000421609499
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.9282 -0.5 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 C 6.0621 0.9999 0.0 0
M  V30 4 C 5.1961 -0.5 0.0 0
M  V30 5 F 6.9282 1.4999 0.0 0
M  V30 6 C 5.1961 1.4999 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 4.3301 1.0 0.0 0
M  V30 9 C 3.4641 -0.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 C 3.4641 -1.5 0.0 0
M  V30 12 O 2.598 1.0 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 C -0.9135 -0.0932 0.0 0
M  V30 17 C -0.1045 -1.4945 0.0 0
M  V30 18 N -1.5826 -0.8364 0.0 0
M  V30 19 C -1.0826 -1.7024 0.0 0
M  V30 20 C -2.5771 -0.7318 0.0 0
M  V30 21 O -1.4894 -2.6159 0.0 0
M  V30 22 C -2.9839 0.1816 0.0 0
M  V30 23 C -3.9784 0.2861 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 6 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 2 10 12
M  V30 12 1 10 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 20 22
M  V30 22 1 22 23
M  V30 23 1 7 8
M  V30 24 1 18 19
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000421609499

>  <name>
NA

>  <smiles>
CCCN1CC(CNC(=O)C(C)c2ccc(F)c(F)c2)CC1=O

$$$$
ZINC000274745927
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 8.6306 3.4487 0.0 0
M  V30 2 C 8.1306 2.5826 0.0 0
M  V30 3 N 7.1361 2.4781 0.0 0
M  V30 4 N 8.5373 1.6691 0.0 0
M  V30 5 C 6.9282 1.5 0.0 0
M  V30 6 C 6.4669 3.2212 0.0 0
M  V30 7 C 7.7942 1.0 0.0 0
M  V30 8 C 9.5155 1.4612 0.0 0
M  V30 9 C 6.0621 1.0 0.0 0
M  V30 10 C 7.7942 0.0 0.0 0
M  V30 11 C 6.0621 0.0 0.0 0
M  V30 12 C 6.9282 -0.5 0.0 0
M  V30 13 N 5.1961 -0.5 0.0 0
M  V30 14 C 4.3301 0.0 0.0 0
M  V30 15 O 4.3301 1.0 0.0 0
M  V30 16 C 3.4641 -0.5 0.0 0
M  V30 17 O 3.4641 -1.5 0.0 0
M  V30 18 N 2.598 0.0 0.0 0
M  V30 19 C 1.732 -0.5 0.0 0
M  V30 20 C 0.866 0.0 0.0 0
M  V30 21 C 0.0 -0.5 0.0 0
M  V30 22 O 0.4999 -1.366 0.0 0
M  V30 23 C -0.866 -0.9999 0.0 0
M  V30 24 C -0.4999 0.366 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 1 21 22
M  V30 22 1 21 23
M  V30 23 1 21 24
M  V30 24 2 5 7
M  V30 25 1 11 12
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000274745927

>  <name>
NA

>  <smiles>
Cn1c2ccc(NC(=O)C(=O)NCCC(C)(C)O)cc2n(C)c1=O

$$$$
ZINC000346446017
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 -2.9999 0.0 0
M  V30 2 C 4.3301 -1.9999 0.0 0
M  V30 3 N 5.1961 -1.5 0.0 0
M  V30 4 C 3.4641 -1.5 0.0 0
M  V30 5 C 5.1961 -0.5 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 C 2.598 0.0 0.0 0
M  V30 10 C 6.0621 0.9999 0.0 0
M  V30 11 O 2.598 1.0 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 C 0.866 1.0 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 C 1.732 1.5 0.0 0
M  V30 17 C 0.0 1.4999 0.0 0
M  V30 18 C -1.0 -0.4999 0.0 0
M  V30 19 C -0.5 -1.366 0.0 0
M  V30 20 C 1.732 2.4999 0.0 0
M  V30 21 C 0.0 2.4999 0.0 0
M  V30 22 C 0.866 2.9999 0.0 0
M  V30 23 O 0.866 3.9999 0.0 0
M  V30 24 C 0.0 4.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 2 17 21
M  V30 21 2 20 22
M  V30 22 1 22 23
M  V30 23 1 23 24
M  V30 24 1 6 7
M  V30 25 1 18 19
M  V30 26 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000346446017

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC(C1CC1)c1ccc(OC)cc1

$$$$
ZINC000910401483
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.0621 0.0 0.0 0
M  V30 2 C 5.1961 -0.5 0.0 0
M  V30 3 C 4.3301 0.0 0.0 0
M  V30 4 C 5.1961 -1.4999 0.0 0
M  V30 5 C 3.4641 -0.5 0.0 0
M  V30 6 C 4.3301 -1.9999 0.0 0
M  V30 7 N 3.4641 -1.4999 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 N 1.732 -0.5 0.0 0
M  V30 10 C 0.866 0.0 0.0 0
M  V30 11 O 0.866 1.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 N -0.9135 -0.0932 0.0 0
M  V30 14 N -0.1045 -1.4945 0.0 0
M  V30 15 C -1.5826 -0.8364 0.0 0
M  V30 16 C -1.0826 -1.7024 0.0 0
M  V30 17 C 0.5646 -2.2376 0.0 0
M  V30 18 C -1.3916 -2.6534 0.0 0
M  V30 19 C 0.2555 -3.1887 0.0 0
M  V30 20 C -0.7225 -3.3966 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 2 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 6 7
M  V30 21 2 15 16
M  V30 22 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000910401483

>  <name>
NA

>  <smiles>
O=C(NCc1cc(=O)cc[nH]1)c1ncc2CCCCn12

$$$$
ZINC000888602041
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 5.6961 0.366 0.0 0
M  V30 2 C 5.1961 -0.5 0.0 0
M  V30 3 F 6.0621 -1.0 0.0 0
M  V30 4 F 4.6961 -1.366 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0
M  V30 6 C 4.3301 1.0 0.0 0
M  V30 7 C 3.4641 -0.4999 0.0 0
M  V30 8 O 5.1961 1.5 0.0 0
M  V30 9 N 3.4641 1.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 C 2.598 1.0 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 O 1.732 -1.5 0.0 0
M  V30 14 N 0.866 0.0 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 N -0.9135 -0.0932 0.0 0
M  V30 17 C -0.1045 -1.4945 0.0 0
M  V30 18 N -1.5826 -0.8364 0.0 0
M  V30 19 C -1.1214 0.8848 0.0 0 CFG=2
M  V30 20 C -1.0826 -1.7024 0.0 0
M  V30 21 C -0.4523 1.628 0.0 0
M  V30 22 C -2.035 1.2916 0.0 0
M  V30 23 O -0.9523 2.494 0.0 0
M  V30 24 C -1.9304 2.2861 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 5 6
M  V30 6 2 5 7
M  V30 7 2 6 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 2 14 15 CFG=2
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 19 16 CFG=1
M  V30 19 2 17 20
M  V30 20 1 19 21
M  V30 21 1 19 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 2 10 11
M  V30 25 1 18 20
M  V30 26 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 19)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000888602041

>  <name>
NA

>  <smiles>
FC(F)(F)c1cc(c[nH]c1=O)C(=O)N=c1cc[nH]n1C1CCOC1

$$$$
ZINC000638029855
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.8301 -4.1339 0.0 0
M  V30 2 C 4.3301 -4.9999 0.0 0
M  V30 3 F 5.1961 -5.4999 0.0 0
M  V30 4 F 3.8301 -5.866 0.0 0
M  V30 5 C 3.4641 -4.5 0.0 0
M  V30 6 C 3.4641 -3.5 0.0 0
M  V30 7 C 2.598 -5.0 0.0 0
M  V30 8 C 2.598 -3.0 0.0 0
M  V30 9 C 1.732 -4.4999 0.0 0
M  V30 10 C 1.732 -3.5 0.0 0
M  V30 11 C 2.598 -2.0 0.0 0
M  V30 12 O 3.4641 -1.5 0.0 0
M  V30 13 C 1.732 -1.5 0.0 0
M  V30 14 C 3.4641 -0.5 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 2.598 0.0 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 O 0.866 1.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 C -0.9135 -0.0932 0.0 0
M  V30 21 C -0.1045 -1.4945 0.0 0
M  V30 22 C -1.5826 -0.8364 0.0 0
M  V30 23 C -1.0826 -1.7024 0.0 0
M  V30 24 N -1.4894 -2.6159 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 21 23
M  V30 23 1 23 24
M  V30 24 1 9 10
M  V30 25 1 15 16
M  V30 26 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000638029855

>  <name>
NA

>  <smiles>
NC1CC(C=C1)C(=O)N1CCOC(C1)c1cccc(c1)C(F)(F)F

$$$$
ZINC001460029363
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 5.9461 0.549 0.0 0
M  V30 2 C 5.1961 -0.75 0.0 0
M  V30 3 F 6.4951 -1.5 0.0 0
M  V30 4 F 4.4461 -2.049 0.0 0
M  V30 5 C 3.8971 0.0 0.0 0 CFG=2
M  V30 6 N 2.598 -0.75 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 1.299 0.0 0.0 0
M  V30 9 C 5.1106 2.3816 0.0 0
M  V30 10 C 2.6835 2.3816 0.0 0
M  V30 11 C 0.0 -0.75 0.0 0
M  V30 12 N 4.6471 3.8082 0.0 0
M  V30 13 N 3.1471 3.8082 0.0 0
M  V30 14 N -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.2499 0.0 0
M  V30 16 C 2.2654 5.0217 0.0 0
M  V30 17 C -2.598 -0.7499 0.0 0
M  V30 18 C -1.299 -2.9999 0.0 0
M  V30 19 N -4.0246 -0.2864 0.0 0
M  V30 20 N -2.598 -2.2499 0.0 0
M  V30 21 O -1.299 -4.4999 0.0 0
M  V30 22 C -4.9063 -1.4999 0.0 0
M  V30 23 N -4.0246 -2.7135 0.0 0
M  V30 24 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 2
M  V30 5 1 5 6 CFG=3
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 2 7 10
M  V30 10 1 8 11
M  V30 11 2 9 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 2 11 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 22 24
M  V30 24 1 12 13
M  V30 25 1 18 20
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001460029363

>  <name>
NA

>  <smiles>
Cn1cc(cn1)C(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)C(F)(F)F

$$$$
ZINC000934902316
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -3.0 0.0 0
M  V30 2 C 2.598 -1.9999 0.0 0
M  V30 3 N 3.4641 -1.4999 0.0 0
M  V30 4 C 1.732 -1.4999 0.0 0
M  V30 5 N 4.4151 -1.809 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 C 5.0029 -0.9999 0.0 0
M  V30 9 N 4.4151 -0.1909 0.0 0
M  V30 10 N 2.598 0.0 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 N 6.0029 -0.9999 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 C -1.5826 -0.8364 0.0 0
M  V30 17 C -1.2225 0.8577 0.0 0
M  V30 18 C -1.0826 -1.7024 0.0 0
M  V30 19 C -2.5608 -0.6284 0.0 0
M  V30 20 C -2.2007 1.0657 0.0 0
M  V30 21 C -2.8698 0.3225 0.0 0
M  V30 22 C -3.8479 0.5304 0.0 0
M  V30 23 C -4.5171 -0.2126 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 2 19 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 7 10
M  V30 24 1 8 9
M  V30 25 1 16 18
M  V30 26 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000934902316

>  <name>
NA

>  <smiles>
CCc1ccc2N(Cc3cc(=O)n4[nH]c(=N)nc4[nH]3)CCc2c1

$$$$
ZINC001460974086
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -3.0 0.0 0
M  V30 2 C 2.598 -1.9999 0.0 0
M  V30 3 N 3.4641 -1.4999 0.0 0
M  V30 4 C 1.732 -1.4999 0.0 0
M  V30 5 N 4.4151 -1.809 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 C 5.0029 -0.9999 0.0 0
M  V30 9 N 4.4151 -0.1909 0.0 0
M  V30 10 N 2.598 0.0 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 N 6.0029 -0.9999 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C -0.866 0.0 0.0 0
M  V30 15 C 0.0 -1.4999 0.0 0
M  V30 16 C -1.732 -0.4999 0.0 0
M  V30 17 C -0.866 -1.9999 0.0 0
M  V30 18 C -1.732 -1.4999 0.0 0
M  V30 19 C -2.598 0.0 0.0 0
M  V30 20 C -2.598 -1.9999 0.0 0
M  V30 21 C -3.4641 -0.4999 0.0 0
M  V30 22 C -2.598 1.0 0.0 0
M  V30 23 C -3.4641 -1.4999 0.0 0
M  V30 24 C -4.3301 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 23 24
M  V30 24 1 7 10
M  V30 25 1 8 9
M  V30 26 1 17 18
M  V30 27 1 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001460974086

>  <name>
NA

>  <smiles>
Cc1cc(C)c2CN(Cc3cc(=O)n4[nH]c(=N)nc4[nH]3)CCc2c1

$$$$
ZINC001390372986
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 7.8139 1.9455 0.0 0
M  V30 2 C 7.1448 1.2024 0.0 0
M  V30 3 C 8.7275 1.5388 0.0 0
M  V30 4 C 7.6448 0.3364 0.0 0
M  V30 5 C 6.1667 0.9945 0.0 0
M  V30 6 C 8.623 0.5443 0.0 0
M  V30 7 N 6.9757 -0.4067 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 C 5.1961 -0.5 0.0 0
M  V30 10 O 5.1961 -1.4999 0.0 0
M  V30 11 N 4.3301 0.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 C 3.4641 -1.5 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 4.3301 -2.0 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 O 0.866 1.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 C -0.9135 -0.0932 0.0 0
M  V30 21 C -0.1045 -1.4945 0.0 0
M  V30 22 C -1.5826 -0.8364 0.0 0
M  V30 23 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 4 7
M  V30 7 2 5 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 12 11 CFG=1
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 4 6
M  V30 24 1 7 8
M  V30 25 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001390372986

>  <name>
NA

>  <smiles>
CCC(CNC(=O)C1=CCCC1)NC(=O)c1cc2sccc2[nH]1

$$$$
ZINC000571195551
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 18 19 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 1.9594 1.6636 0.0 0
M  V30 2 C 2.7026 0.9945 0.0 0
M  V30 3 C 2.598 0.0 0.0 0
M  V30 4 C 3.6807 1.2024 0.0 0
M  V30 5 N 1.732 -0.5 0.0 0
M  V30 6 C 3.5116 -0.4067 0.0 0
M  V30 7 C 4.1807 0.3364 0.0 0
M  V30 8 C 0.866 0.0 0.0 0
M  V30 9 O 0.866 1.0 0.0 0
M  V30 10 C 0.0 -0.5 0.0 0
M  V30 11 C -0.866 0.0 0.0 0
M  V30 12 C 0.0 -1.4999 0.0 0
M  V30 13 C -1.732 -0.4999 0.0 0
M  V30 14 C -0.866 -1.9999 0.0 0
M  V30 15 O -2.598 0.0 0.0 0
M  V30 16 N -1.732 -1.4999 0.0 0
M  V30 17 C -0.866 -2.9999 0.0 0
M  V30 18 C 0.0 -3.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 2 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 6 7
M  V30 19 1 14 16
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000571195551

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1CCCC1F

$$$$
ZINC000530265480
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 5.9128 0.3364 0.0 0
M  V30 2 C 5.4128 1.2024 0.0 0
M  V30 3 C 5.2436 -0.4067 0.0 0
M  V30 4 O 5.8195 2.1159 0.0 0
M  V30 5 N 4.4346 0.9945 0.0 0
M  V30 6 C 4.3301 0.0 0.0 0
M  V30 7 C 3.4641 -0.5 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 N 1.732 -0.5 0.0 0
M  V30 10 C 0.866 0.0 0.0 0
M  V30 11 O 0.866 1.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C -0.866 0.0 0.0 0
M  V30 14 C 0.0 -1.4999 0.0 0
M  V30 15 C -1.732 -0.4999 0.0 0
M  V30 16 C -0.866 -1.9999 0.0 0
M  V30 17 C -1.732 -1.4999 0.0 0
M  V30 18 C -2.598 0.0 0.0 0
M  V30 19 C -2.598 -1.9999 0.0 0
M  V30 20 F -3.098 -0.866 0.0 0
M  V30 21 F -3.4641 0.5 0.0 0
M  V30 22 F -2.098 0.866 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 1 18 22
M  V30 22 1 5 6
M  V30 23 1 16 17
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000530265480

>  <name>
NA

>  <smiles>
Cc1ccc(cc1C(F)(F)F)C(=O)NCCc1csc(=O)[nH]1

$$$$
ZINC000621274130
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 1.299 1.4999 0.0 0
M  V30 2 C 2.598 2.2499 0.0 0
M  V30 3 C 3.8971 1.5 0.0 0
M  V30 4 C 2.598 3.7499 0.0 0
M  V30 5 C 5.1961 2.25 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0 CFG=1
M  V30 7 C 3.8971 4.5 0.0 0
M  V30 8 C 5.1961 3.75 0.0 0
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 5.1961 -0.75 0.0 0
M  V30 11 C 1.299 0.0 0.0 0
M  V30 12 C 6.4951 0.0 0.0 0
M  V30 13 C 5.1961 -2.25 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 N -1.299 0.0 0.0 0
M  V30 16 C 0.0 -2.2499 0.0 0
M  V30 17 C -2.598 -0.7499 0.0 0
M  V30 18 C -1.299 -2.9999 0.0 0
M  V30 19 N -4.0246 -0.2864 0.0 0
M  V30 20 N -2.598 -2.2499 0.0 0
M  V30 21 O -1.299 -4.4999 0.0 0
M  V30 22 C -4.9063 -1.4999 0.0 0
M  V30 23 N -4.0246 -2.7135 0.0 0
M  V30 24 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 3
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9 CFG=3
M  V30 9 1 6 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 1 14 15
M  V30 15 2 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 22 24
M  V30 24 1 7 8
M  V30 25 1 18 20
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000621274130

>  <name>
NA

>  <smiles>
CC(C)C(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccccc1Cl

$$$$
ZINC001386480701
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 9.0461 -0.6816 0.0 0
M  V30 2 C 8.6393 0.2318 0.0 0
M  V30 3 F 9.2271 1.0408 0.0 0
M  V30 4 C 7.6448 0.3364 0.0 0
M  V30 5 N 7.1448 1.2024 0.0 0
M  V30 6 C 6.9757 -0.4067 0.0 0
M  V30 7 N 6.1667 0.9945 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 C 5.1961 -0.5 0.0 0
M  V30 10 O 5.1961 -1.4999 0.0 0
M  V30 11 N 4.3301 0.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 2.598 1.0 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 O 0.866 1.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 C -0.866 0.0 0.0 0
M  V30 20 C 0.0 -1.4999 0.0 0
M  V30 21 C -1.732 -0.4999 0.0 0
M  V30 22 C -0.866 -1.9999 0.0 0
M  V30 23 O -2.598 0.0 0.0 0
M  V30 24 N -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 4 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 21 24
M  V30 24 2 7 8
M  V30 25 1 22 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001386480701

>  <name>
NA

>  <smiles>
CC(CNC(=O)c1cc([nH]n1)C(F)F)NC(=O)C1CCNC(=O)C1

$$$$
ZINC001194567180
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 7.0222 -4.1703 0.0 0
M  V30 2 C 6.2723 -2.8713 0.0 0
M  V30 3 F 7.7722 -2.8713 0.0 0
M  V30 4 C 5.884 -1.4224 0.0 0
M  V30 5 C 4.8234 -3.2595 0.0 0
M  V30 6 C 4.4352 -1.8106 0.0 0
M  V30 7 C 4.0469 -0.3617 0.0 0
M  V30 8 C 2.9863 -2.1988 0.0 0
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 1.299 0.0 0.0 0
M  V30 11 O 1.299 1.5 0.0 0
M  V30 12 C 0.0 -0.75 0.0 0
M  V30 13 C -1.299 0.0 0.0 0
M  V30 14 C 0.0 -2.25 0.0 0
M  V30 15 N -2.598 -0.75 0.0 0
M  V30 16 C -1.299 -3.0 0.0 0
M  V30 17 C -2.598 -2.25 0.0 0
M  V30 18 C -3.8971 0.0 0.0 0
M  V30 19 O -3.8971 -3.0 0.0 0
M  V30 20 C -3.8971 1.5 0.0 0
M  V30 21 C -5.1961 -0.75 0.0 0
M  V30 22 C -5.1961 2.25 0.0 0
M  V30 23 C -6.4952 0.0 0.0 0
M  V30 24 C -6.4952 1.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 4 6
M  V30 6 1 6 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 2 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 2 22 24
M  V30 24 1 5 6
M  V30 25 1 8 9
M  V30 26 1 16 17
M  V30 27 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001194567180

>  <name>
NA

>  <smiles>
FC1(F)CC2(CN(C2)C(=O)c2ccc(=O)n(c2)-c2ccccc2)C1

$$$$
ZINC000359778638
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.8689 0.5 0.0 0
M  V30 2 C 5.8689 0.5 0.0 0
M  V30 3 N 5.2811 1.309 0.0 0
M  V30 4 N 5.2811 -0.309 0.0 0
M  V30 5 C 4.3301 1.0 0.0 0
M  V30 6 C 5.5902 2.26 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 5.5902 -1.26 0.0 0
M  V30 9 C 3.4641 1.4999 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.9999 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 O 1.732 1.4999 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 N -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 1.0 0.0 0
M  V30 22 C -0.866 -1.9999 0.0 0
M  V30 23 C -1.732 -1.4999 0.0 0
M  V30 24 C -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 2 20 23
M  V30 23 1 23 24
M  V30 24 2 5 7
M  V30 25 1 11 12
M  V30 26 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000359778638

>  <name>
NA

>  <smiles>
Cc1ccc(C(=O)Nc2cc3n(C)c(=O)n(C)c3cc2O)c(C)n1

$$$$
ZINC000342594275
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.8985 3.4487 0.0 0
M  V30 2 C 6.3985 2.5826 0.0 0
M  V30 3 N 5.404 2.4781 0.0 0
M  V30 4 N 6.8053 1.6691 0.0 0
M  V30 5 C 5.1961 1.5 0.0 0
M  V30 6 C 4.7349 3.2212 0.0 0
M  V30 7 C 6.0621 1.0 0.0 0
M  V30 8 C 7.7834 1.4612 0.0 0
M  V30 9 C 4.3301 1.0 0.0 0
M  V30 10 C 6.0621 0.0 0.0 0
M  V30 11 C 4.3301 0.0 0.0 0
M  V30 12 C 5.1961 -0.4999 0.0 0
M  V30 13 N 3.4641 -0.5 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 O 2.598 1.0 0.0 0
M  V30 16 C 1.732 -0.5 0.0 0
M  V30 17 O 1.732 -1.5 0.0 0
M  V30 18 N 0.866 0.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 C -1.0 -0.4999 0.0 0
M  V30 21 C -0.5 -1.366 0.0 0
M  V30 22 C 0.7071 -1.2071 0.0 0
M  V30 23 C 0.4482 -2.173 0.0 0
M  V30 24 O 1.1553 -2.8801 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 1 19 22
M  V30 22 1 22 23
M  V30 23 1 23 24
M  V30 24 2 5 7
M  V30 25 1 11 12
M  V30 26 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000342594275

>  <name>
NA

>  <smiles>
Cn1c2ccc(NC(=O)C(=O)NC3(CCO)CC3)cc2n(C)c1=O

$$$$
ZINC001261278309
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 11.199 -1.0 0.0 0
M  V30 2 C 10.199 -1.0 0.0 0
M  V30 3 N 9.6113 -0.1909 0.0 0
M  V30 4 N 9.6113 -1.809 0.0 0
M  V30 5 C 8.6602 -0.5 0.0 0
M  V30 6 C 9.9203 0.76 0.0 0
M  V30 7 C 8.6602 -1.5 0.0 0
M  V30 8 C 9.9203 -2.76 0.0 0
M  V30 9 C 7.7942 0.0 0.0 0
M  V30 10 C 7.7942 -2.0 0.0 0
M  V30 11 C 6.9282 -0.5 0.0 0
M  V30 12 C 6.9282 -1.4999 0.0 0
M  V30 13 N 6.0621 0.0 0.0 0
M  V30 14 C 5.1961 -0.5 0.0 0
M  V30 15 O 5.1961 -1.4999 0.0 0
M  V30 16 C 4.3301 0.0 0.0 0
M  V30 17 O 4.3301 1.0 0.0 0
M  V30 18 N 3.4641 -0.5 0.0 0
M  V30 19 C 2.598 0.0 0.0 0 CFG=2
M  V30 20 C 1.732 -0.5 0.0 0
M  V30 21 C 2.598 1.0 0.0 0
M  V30 22 C 0.866 0.0 0.0 0
M  V30 23 O 0.866 1.0 0.0 0
M  V30 24 N 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 19 18 CFG=3
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 22 23
M  V30 23 1 22 24
M  V30 24 2 5 7
M  V30 25 1 11 12
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 19)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001261278309

>  <name>
NA

>  <smiles>
CC(CC(N)=O)NC(=O)C(=O)Nc1ccc2n(C)c(=O)n(C)c2c1

$$$$
ZINC001578212826
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 6.0753 -4.3193 0.0 0
M  V30 2 C 5.8674 -3.3411 0.0 0
M  V30 3 C 6.6105 -2.672 0.0 0
M  V30 4 C 4.9163 -3.0321 0.0 0
M  V30 5 C 6.4026 -1.6939 0.0 0
M  V30 6 C 4.7084 -2.054 0.0 0
M  V30 7 C 5.4515 -1.3848 0.0 0
M  V30 8 C 5.2436 -0.4067 0.0 0
M  V30 9 N 5.9128 0.3364 0.0 0
M  V30 10 N 4.3301 0.0 0.0 0
M  V30 11 N 5.4128 1.2024 0.0 0
M  V30 12 C 4.4346 0.9945 0.0 0
M  V30 13 C 3.4641 -0.5 0.0 0
M  V30 14 N 3.6915 1.6636 0.0 0
M  V30 15 C 2.598 0.0 0.0 0
M  V30 16 C 3.796 2.6581 0.0 0
M  V30 17 C 2.7133 1.4557 0.0 0
M  V30 18 S 1.732 -0.5 0.0 0
M  V30 19 C 2.8824 3.0649 0.0 0
M  V30 20 C 2.2133 2.3217 0.0 0
M  V30 21 O 1.732 -1.5 0.0 0
M  V30 22 C 0.866 0.0 0.0 0
M  V30 23 N 2.6745 4.043 0.0 0
M  V30 24 C 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 10 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 18 22
M  V30 22 1 19 23
M  V30 23 1 22 24
M  V30 24 1 6 7
M  V30 25 2 11 12
M  V30 26 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001578212826

>  <name>
NA

>  <smiles>
CC[S+]([O-])CCn1c(nnc1-c1ccc(Cl)cc1)N1CCC(N)C1

$$$$
ZINC001650063926
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 0.9999 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 N 3.4641 -0.5 0.0 0
M  V30 4 C 5.1961 -0.5 0.0 0
M  V30 5 C 3.4641 -1.5 0.0 0
M  V30 6 C 2.598 0.0 0.0 0
M  V30 7 C 5.1961 -1.5 0.0 0
M  V30 8 C 4.3301 -2.0 0.0 0
M  V30 9 C 1.732 -0.5 0.0 0
M  V30 10 C 4.3301 -3.0 0.0 0
M  V30 11 O 0.866 0.0 0.0 0
M  V30 12 O 3.4641 -3.5 0.0 0
M  V30 13 N 5.1961 -3.5 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0
M  V30 15 C 5.1961 -4.5 0.0 0
M  V30 16 C 6.0621 -3.0 0.0 0
M  V30 17 C 6.0621 -5.0 0.0 0
M  V30 18 N 6.0621 -6.0 0.0 0
M  V30 19 C 6.9282 -4.5 0.0 0
M  V30 20 C 6.9282 -6.5 0.0 0
M  V30 21 C 7.7942 -5.0 0.0 0
M  V30 22 O 6.9282 -7.5 0.0 0
M  V30 23 C 7.7942 -6.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 2 10 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 7 8
M  V30 24 2 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001650063926

>  <name>
NA

>  <smiles>
COCCn1cc(ccc1=O)C(=O)N(C)Cc1cccc(=O)[nH]1

$$$$
ZINC001246018523
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 10.3923 -0.5 0.0 0
M  V30 2 C 9.5262 0.0 0.0 0
M  V30 3 C 9.5262 1.0 0.0 0
M  V30 4 C 8.6602 -0.4999 0.0 0
M  V30 5 F 10.3923 1.5 0.0 0
M  V30 6 C 8.6602 1.5 0.0 0
M  V30 7 C 7.7942 0.0 0.0 0
M  V30 8 C 7.7942 1.0 0.0 0
M  V30 9 C 6.9282 -0.5 0.0 0
M  V30 10 O 6.9282 -1.4999 0.0 0
M  V30 11 C 6.0621 0.0 0.0 0
M  V30 12 N 5.1961 -0.5 0.0 0
M  V30 13 C 4.3301 0.0 0.0 0
M  V30 14 C 4.3301 0.9999 0.0 0
M  V30 15 C 3.4641 -0.5 0.0 0
M  V30 16 O 3.4641 1.5 0.0 0
M  V30 17 N 5.1961 1.4999 0.0 0
M  V30 18 C 2.598 0.0 0.0 0
M  V30 19 C 5.1961 2.4999 0.0 0
M  V30 20 C 1.732 -0.5 0.0 0
M  V30 21 C 0.866 0.0 0.0 0
M  V30 22 N 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 6 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 1 21 22
M  V30 22 1 7 8
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001246018523

>  <name>
NA

>  <smiles>
CNC(=O)C(CCCCN)NCC(O)c1ccc(F)c(F)c1

$$$$
ZINC001405244512
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 2.4999 0.0 0
M  V30 2 C 6.9282 1.4999 0.0 0
M  V30 3 N 6.0621 0.9999 0.0 0
M  V30 4 C 7.7942 0.9999 0.0 0
M  V30 5 C 6.0621 0.0 0.0 0
M  V30 6 C 7.7942 0.0 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 C 6.9282 -0.5 0.0 0
M  V30 9 O 5.1961 -1.4999 0.0 0
M  V30 10 N 4.3301 0.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 C 2.598 0.0 0.0 0 CFG=2
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 2.598 1.0 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 1.732 1.5 0.0 0
M  V30 17 O 0.866 1.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 N -0.9135 -0.0932 0.0 0
M  V30 20 N -0.1045 -1.4945 0.0 0
M  V30 21 C -1.5826 -0.8364 0.0 0
M  V30 22 C -1.0826 -1.7024 0.0 0
M  V30 23 C -2.5771 -0.7318 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 2 7 9
M  V30 9 1 7 10
M  V30 10 1 10 11
M  V30 11 1 12 11
M  V30 12 1 12 13 CFG=3
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 6 8
M  V30 24 2 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001405244512

>  <name>
NA

>  <smiles>
Cc1c[nH]c(n1)C(=O)NC(CO)CNC(=O)c1cccc(=O)[nH]1

$$$$
ZINC000621265738
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 9.0932 -3.0 0.0 0
M  V30 2 C 7.7942 -2.25 0.0 0
M  V30 3 C 7.7942 -0.75 0.0 0
M  V30 4 C 6.4952 -3.0 0.0 0
M  V30 5 C 6.4952 0.0 0.0 0
M  V30 6 C 5.1961 -2.25 0.0 0
M  V30 7 C 5.1961 -0.75 0.0 0
M  V30 8 C 3.8971 0.0 0.0 0
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 4.6471 1.299 0.0 0
M  V30 11 C 3.1471 1.299 0.0 0
M  V30 12 C 1.299 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 N -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.25 0.0 0
M  V30 16 C -2.598 -0.75 0.0 0
M  V30 17 C -1.299 -3.0 0.0 0
M  V30 18 N -4.0246 -0.2864 0.0 0
M  V30 19 N -2.598 -2.25 0.0 0
M  V30 20 O -1.299 -4.5 0.0 0
M  V30 21 C -4.9063 -1.5 0.0 0
M  V30 22 N -4.0246 -2.7135 0.0 0
M  V30 23 N -6.4063 -1.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 21 23
M  V30 23 1 6 7
M  V30 24 1 17 19
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000621265738

>  <name>
NA

>  <smiles>
CC(C)(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccc(Cl)cc1

$$$$
ZINC001531237057
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 6.9757 -0.4067 0.0 0
M  V30 2 N 7.6448 0.3364 0.0 0
M  V30 3 C 6.0621 0.0 0.0 0
M  V30 4 C 7.1448 1.2024 0.0 0
M  V30 5 C 5.1961 -0.5 0.0 0
M  V30 6 C 6.1667 0.9945 0.0 0
M  V30 7 O 5.1961 -1.4999 0.0 0
M  V30 8 N 4.3301 0.0 0.0 0
M  V30 9 C 3.4641 -0.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0 CFG=1
M  V30 11 N 1.732 -0.5 0.0 0
M  V30 12 C 2.598 1.0 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 C 1.732 1.5 0.0 0
M  V30 15 O 0.866 1.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 N -0.9135 -0.0932 0.0 0
M  V30 18 C -0.1045 -1.4945 0.0 0
M  V30 19 C -1.5826 -0.8364 0.0 0
M  V30 20 C -1.0826 -1.7024 0.0 0
M  V30 21 C -2.5608 -1.0443 0.0 0
M  V30 22 O -1.7518 -2.4455 0.0 0
M  V30 23 C -2.6653 -2.0388 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 3 5
M  V30 5 2 3 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 10 9
M  V30 10 1 10 11 CFG=1
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 2 13 15
M  V30 15 1 13 16
M  V30 16 1 16 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 4 6
M  V30 24 2 19 20
M  V30 25 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 10)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001531237057

>  <name>
NA

>  <smiles>
CCC(CNC(=O)c1ccns1)NC(=O)c1cc2occc2[nH]1

$$$$
ZINC000831918206
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.0412 -0.7318 0.0 0
M  V30 2 C 5.0467 -0.8364 0.0 0
M  V30 3 N 4.3776 -0.0932 0.0 0
M  V30 4 C 4.5467 -1.7024 0.0 0
M  V30 5 C 3.4641 -0.5 0.0 0
M  V30 6 C 3.5686 -1.4945 0.0 0
M  V30 7 C 2.598 0.0 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 O 1.732 -1.5 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C -0.866 0.0 0.0 0
M  V30 13 C 0.0 -1.4999 0.0 0
M  V30 14 N -1.0739 0.9781 0.0 0
M  V30 15 C -1.732 -0.4999 0.0 0
M  V30 16 C -0.866 -1.9999 0.0 0
M  V30 17 N -2.0684 1.0826 0.0 0
M  V30 18 C -2.4751 0.1691 0.0 0
M  V30 19 C -1.732 -1.4999 0.0 0
M  V30 20 C -2.5684 1.9487 0.0 0
M  V30 21 C -2.1617 2.8622 0.0 0
M  V30 22 C -3.5629 2.0532 0.0 0
M  V30 23 C -2.9048 3.5313 0.0 0
M  V30 24 C -3.7708 3.0313 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 15 19
M  V30 19 1 17 20
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 5 6
M  V30 25 1 16 19
M  V30 26 1 17 18
M  V30 27 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000831918206

>  <name>
NA

>  <smiles>
O=C(CC1CCC(=O)N1)NC1CCCc2cn(nc12)C1CCCC1

$$$$
ZINC001493474545
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 1.5 0.0 0
M  V30 2 C 4.3301 0.9999 0.0 0
M  V30 3 N 4.3301 0.0 0.0 0
M  V30 4 C 3.4641 1.4999 0.0 0
M  V30 5 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 6 N 2.5505 1.0932 0.0 0
M  V30 7 C 3.3595 2.4945 0.0 0
M  V30 8 C 3.4641 -1.5 0.0 0
M  V30 9 C 2.598 0.0 0.0 0
M  V30 10 C 1.8814 1.8364 0.0 0
M  V30 11 C 2.3814 2.7024 0.0 0
M  V30 12 C 2.9641 -2.366 0.0 0
M  V30 13 C 3.9641 -2.366 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 0.9032 2.0443 0.0 0
M  V30 16 O 1.7122 3.4455 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 C 0.7987 3.0388 0.0 0
M  V30 19 O 0.866 1.0 0.0 0
M  V30 20 C 0.0 -0.5 0.0 0
M  V30 21 N -0.9135 -0.0932 0.0 0
M  V30 22 C -0.1045 -1.4945 0.0 0
M  V30 23 C -1.5826 -0.8364 0.0 0
M  V30 24 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 3 CFG=3
M  V30 5 1 4 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 8 12
M  V30 12 1 8 13
M  V30 13 1 9 14
M  V30 14 1 10 15
M  V30 15 1 11 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 20 21
M  V30 21 2 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 2 10 11
M  V30 25 1 12 13
M  V30 26 1 16 18
M  V30 27 2 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001493474545

>  <name>
NA

>  <smiles>
O=C(NCC(NC(=O)c1cc2occc2[nH]1)C1CC1)c1ccc[nH]1

$$$$
ZINC000680428830
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl -2.4494 1.9494 0.0 0
M  V30 2 C -1.4835 1.6906 0.0 0
M  V30 3 C -0.7764 2.3977 0.0 0
M  V30 4 C -1.2247 0.7247 0.0 0
M  V30 5 Cl -1.0352 3.3637 0.0 0
M  V30 6 C 0.1894 2.1389 0.0 0
M  V30 7 C -0.2588 0.4659 0.0 0
M  V30 8 C 0.4482 1.173 0.0 0
M  V30 9 C 0.0 -0.5 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C -0.4999 -1.366 0.0 0
M  V30 12 C -0.9999 -0.5 0.0 0
M  V30 13 C 1.732 -0.5 0.0 0
M  V30 14 O 2.598 0.0 0.0 0
M  V30 15 C 1.732 -1.5 0.0 0
M  V30 16 C 0.866 -1.9999 0.0 0
M  V30 17 C 2.598 -2.0 0.0 0
M  V30 18 C 0.866 -2.9999 0.0 0
M  V30 19 C 2.598 -3.0 0.0 0
M  V30 20 O 0.0 -3.4999 0.0 0
M  V30 21 N 1.732 -3.5 0.0 0
M  V30 22 C 3.4641 -3.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 6 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 7 8
M  V30 23 1 11 12
M  V30 24 1 19 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000680428830

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)NC1(CC1)c1ccc(Cl)c(Cl)c1

$$$$
ZINC001649908781
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.7499 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 N 7.6099 2.5036 0.0 0
M  V30 6 C 5.1961 2.25 0.0 0
M  V30 7 C 3.8971 0.0 0.0 0
M  V30 8 C 6.9998 3.874 0.0 0
M  V30 9 N 5.508 3.7172 0.0 0
M  V30 10 N 3.8971 1.5 0.0 0
M  V30 11 C 2.598 -0.75 0.0 0
M  V30 12 N 7.7498 5.173 0.0 0
M  V30 13 N 1.299 0.0 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 C -0.0785 0.7479 0.0 0
M  V30 16 C -0.1567 -2.2417 0.0 0
M  V30 17 C -1.3703 -0.1398 0.0 0
M  V30 18 O 1.1795 1.5649 0.0 0
M  V30 19 O -1.415 1.4289 0.0 0
M  V30 20 C -1.624 -2.5536 0.0 0
M  V30 21 C -2.374 -1.2546 0.0 0
M  V30 22 C -1.4935 2.9268 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 1 17 21
M  V30 21 1 19 22
M  V30 22 1 7 10
M  V30 23 1 8 9
M  V30 24 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001649908781

>  <name>
NA

>  <smiles>
COC(=O)C1(CCCC1)NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC001215683386
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.8301 0.866 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 F 5.1961 0.4999 0.0 0
M  V30 4 F 4.8301 -0.866 0.0 0
M  V30 5 C 3.4641 -0.5 0.0 0
M  V30 6 C 2.598 0.0 0.0 0
M  V30 7 C 3.4641 -1.4999 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 C 2.598 -2.0 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 1.732 -1.5 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C 0.866 -1.9999 0.0 0
M  V30 14 C -0.866 0.0 0.0 0
M  V30 15 C 0.0 -1.4999 0.0 0
M  V30 16 O 0.866 -2.9999 0.0 0
M  V30 17 C -1.732 -0.5 0.0 0
M  V30 18 C -1.0739 0.9781 0.0 0
M  V30 19 C -0.866 -2.0 0.0 0
M  V30 20 C -2.4751 0.1691 0.0 0
M  V30 21 C -1.732 -1.5 0.0 0
M  V30 22 C -2.0684 1.0826 0.0 0
M  V30 23 O -3.4533 -0.0387 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 1 8 10
M  V30 10 2 8 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 14 18
M  V30 18 2 15 19
M  V30 19 1 17 20
M  V30 20 2 17 21
M  V30 21 1 18 22
M  V30 22 2 20 23
M  V30 23 1 9 11
M  V30 24 1 19 21
M  V30 25 1 20 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001215683386

>  <name>
NA

>  <smiles>
OCc1ccc(cc1Nc1cccc2C(=O)CCc12)C(F)(F)F

$$$$
ZINC001220426820
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 9.5262 1.0 0.0 0
M  V30 2 C 9.5262 0.0 0.0 0
M  V30 3 C 8.6602 -0.5 0.0 0
M  V30 4 C 10.3923 -0.4999 0.0 0
M  V30 5 C 8.6602 -1.5 0.0 0
M  V30 6 C 7.7942 0.0 0.0 0
M  V30 7 C 10.3923 -1.4999 0.0 0
M  V30 8 Cl 7.7942 -2.0 0.0 0
M  V30 9 C 9.5262 -1.9999 0.0 0
M  V30 10 O 7.7942 0.9999 0.0 0
M  V30 11 C 6.9282 -0.5 0.0 0
M  V30 12 N 6.0621 0.0 0.0 0
M  V30 13 C 5.1961 -0.5 0.0 0
M  V30 14 O 5.1961 -1.4999 0.0 0
M  V30 15 C 4.3301 0.0 0.0 0
M  V30 16 N 4.3301 0.9999 0.0 0
M  V30 17 C 3.4641 -0.5 0.0 0
M  V30 18 C 5.1961 1.4999 0.0 0
M  V30 19 C 2.598 0.0 0.0 0
M  V30 20 O 6.0621 0.9999 0.0 0
M  V30 21 C 5.1961 2.4999 0.0 0
M  V30 22 C 1.732 -0.5 0.0 0
M  V30 23 C 0.866 0.0 0.0 0
M  V30 24 N 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 5 9
M  V30 9 1 6 10
M  V30 10 1 6 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 22 23
M  V30 23 1 23 24
M  V30 24 1 7 9
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001220426820

>  <name>
NA

>  <smiles>
CC(=O)NC(CCCCN)C(=O)NCC(O)c1c(Cl)cccc1Cl

$$$$
ZINC000424006005
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.1172 1.1997 0.0 0
M  V30 2 C 5.7105 0.2861 0.0 0
M  V30 3 C 4.7159 0.1816 0.0 0
M  V30 4 C 6.2982 -0.5228 0.0 0
M  V30 5 C 4.3092 -0.7318 0.0 0
M  V30 6 C 5.8915 -1.4363 0.0 0
M  V30 7 C 4.897 -1.5408 0.0 0
M  V30 8 C 3.3147 -0.8364 0.0 0 CFG=1
M  V30 9 C 6.4793 -2.2453 0.0 0
M  V30 10 F 3.8593 -1.675 0.0 0
M  V30 11 C 2.6455 -0.0932 0.0 0
M  V30 12 C 2.8147 -1.7024 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 1.8365 -1.4945 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 N -1.732 -1.4999 0.0 0
M  V30 23 C -2.598 0.0 0.0 0
M  V30 24 N -3.4641 -0.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 5
M  V30 8 1 6 9
M  V30 9 1 8 10 CFG=1
M  V30 10 1 8 11
M  V30 11 1 8 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 6 7
M  V30 25 1 13 14
M  V30 26 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000424006005

>  <name>
NA

>  <smiles>
Cc1cc(F)cc(c1)C1(F)CCN(C1)C(=O)c1ccnc(CN)c1

$$$$
ZINC000959337053
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.0621 0.0 0.0 0
M  V30 2 C 5.1961 -0.5 0.0 0
M  V30 3 N 4.3301 0.0 0.0 0
M  V30 4 C 5.1961 -1.4999 0.0 0
M  V30 5 C 3.4641 -0.5 0.0 0
M  V30 6 C 4.3301 -1.9999 0.0 0
M  V30 7 C 2.598 0.0 0.0 0
M  V30 8 C 3.4641 -1.4999 0.0 0
M  V30 9 O 2.598 1.0 0.0 0
M  V30 10 N 1.732 -0.5 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C -0.9135 -0.0932 0.0 0
M  V30 14 C -0.1045 -1.4945 0.0 0
M  V30 15 C -1.5826 -0.8364 0.0 0
M  V30 16 C -1.1214 0.8848 0.0 0
M  V30 17 N -1.0826 -1.7024 0.0 0
M  V30 18 C -1.4894 -2.6159 0.0 0
M  V30 19 O -2.4839 -2.7205 0.0 0
M  V30 20 C -0.9016 -3.4249 0.0 0
M  V30 21 O -1.2106 -4.376 0.0 0
M  V30 22 C 0.0983 -3.4249 0.0 0
M  V30 23 C -0.4016 -4.9638 0.0 0
M  V30 24 C 0.4073 -4.376 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 2 7 9
M  V30 9 1 7 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 2 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 6 8
M  V30 25 1 15 17
M  V30 26 2 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000959337053

>  <name>
NA

>  <smiles>
CC1CN(CC1CNC(=O)c1cccc(=O)[nH]1)C(=O)c1ccco1

$$$$
ZINC001351142192
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 -0.5 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 N 6.0621 0.9999 0.0 0
M  V30 4 C 5.1961 -0.4999 0.0 0
M  V30 5 N 6.8053 1.6691 0.0 0
M  V30 6 C 5.1961 1.4999 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 6.3985 2.5826 0.0 0
M  V30 9 N 5.404 2.4781 0.0 0
M  V30 10 N 4.3301 1.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 6.8985 3.4487 0.0 0
M  V30 13 N 2.598 0.0 0.0 0
M  V30 14 C 1.732 -0.5 0.0 0
M  V30 15 C 1.732 -1.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 0.866 -2.0 0.0 0
M  V30 18 C 2.598 -1.9999 0.0 0
M  V30 19 O 0.0 -0.5 0.0 0
M  V30 20 C 0.0 -1.5 0.0 0
M  V30 21 C 0.866 -3.0 0.0 0
M  V30 22 C -0.866 -2.0 0.0 0
M  V30 23 C 0.0 -3.5 0.0 0
M  V30 24 C -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 17 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 2 22 24
M  V30 24 1 7 10
M  V30 25 1 8 9
M  V30 26 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001351142192

>  <name>
NA

>  <smiles>
CC(C(CO)NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccccc1

$$$$
ZINC001549395225
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.8198 4.8478 0.0 0
M  V30 2 C 2.232 4.0388 0.0 0
M  V30 3 N 2.541 3.0877 0.0 0
M  V30 4 C 1.232 4.0388 0.0 0
M  V30 5 C 1.732 2.4999 0.0 0 CFG=2
M  V30 6 C 0.923 3.0877 0.0 0
M  V30 7 C 1.732 1.4999 0.0 0
M  V30 8 C 0.866 0.9999 0.0 0
M  V30 9 O 0.0 1.5 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C 0.7933 -1.1087 0.0 0
M  V30 13 C -0.9659 -0.2411 0.0 0
M  V30 14 C -0.2588 -1.4659 0.0 0
M  V30 15 C 0.6628 -2.1002 0.0 0
M  V30 16 C 1.7172 -0.726 0.0 0
M  V30 17 C -1.2247 -1.2071 0.0 0
M  V30 18 C 1.4561 -2.7089 0.0 0
M  V30 19 C 2.5105 -1.3348 0.0 0
M  V30 20 C 2.38 -2.3262 0.0 0
M  V30 21 C 1.3256 -3.7004 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 3
M  V30 5 1 4 6
M  V30 6 1 5 7 CFG=1
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 13 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 5 6
M  V30 22 1 14 17
M  V30 23 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001549395225

>  <name>
NA

>  <smiles>
Cc1cccc(c1)C1(CCC1)NC(=O)CC1CCC(=O)N1

$$$$
ZINC000598619864
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 10.3923 6.7499 0.0 0
M  V30 2 C 9.0932 5.9999 0.0 0
M  V30 3 N 7.7942 6.7499 0.0 0
M  V30 4 C 9.0932 4.4999 0.0 0
M  V30 5 N 7.4823 8.2172 0.0 0
M  V30 6 C 6.4951 6.0 0.0 0
M  V30 7 C 7.7942 3.7499 0.0 0
M  V30 8 C 5.9905 8.374 0.0 0
M  V30 9 N 5.3804 7.0036 0.0 0
M  V30 10 N 6.4951 4.5 0.0 0
M  V30 11 C 7.7942 2.2499 0.0 0
M  V30 12 N 5.2405 9.673 0.0 0
M  V30 13 N 6.4951 1.4999 0.0 0
M  V30 14 C 6.4951 0.0 0.0 0
M  V30 15 C 5.1961 -0.75 0.0 0
M  V30 16 C 7.7942 -0.75 0.0 0
M  V30 17 C 3.8971 0.0 0.0 0
M  V30 18 C 5.1961 -2.25 0.0 0
M  V30 19 C 7.7942 -2.25 0.0 0
M  V30 20 O 3.8971 1.5 0.0 0
M  V30 21 O 2.598 -0.75 0.0 0
M  V30 22 C 6.4951 -3.0 0.0 0
M  V30 23 C 1.299 0.0 0.0 0
M  V30 24 C 0.0 -0.75 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 17 21
M  V30 21 1 18 22
M  V30 22 1 21 23
M  V30 23 1 23 24
M  V30 24 1 7 10
M  V30 25 1 8 9
M  V30 26 1 19 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000598619864

>  <name>
NA

>  <smiles>
CCOC(=O)C1CCCCC1NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC001148845779
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.9282 1.4999 0.0 0
M  V30 2 C 6.0621 0.9999 0.0 0
M  V30 3 C 5.1961 1.4999 0.0 0
M  V30 4 C 6.0621 0.0 0.0 0
M  V30 5 F 5.1961 2.4999 0.0 0
M  V30 6 C 4.3301 0.9999 0.0 0
M  V30 7 F 6.9282 -0.5 0.0 0
M  V30 8 C 5.1961 -0.5 0.0 0
M  V30 9 C 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 11 O 3.4641 -1.5 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 O 0.866 1.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 C -0.866 0.0 0.0 0
M  V30 18 C 0.0 -1.4999 0.0 0
M  V30 19 C -1.732 -0.4999 0.0 0
M  V30 20 C -0.866 -1.9999 0.0 0
M  V30 21 C -1.732 -1.4999 0.0 0
M  V30 22 C -2.598 0.0 0.0 0
M  V30 23 O -2.598 -1.9999 0.0 0
M  V30 24 C -3.4641 -0.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 2 4 8
M  V30 8 2 6 9
M  V30 9 1 10 9
M  V30 10 1 10 11 CFG=1
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 8 9
M  V30 25 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 10)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001148845779

>  <name>
NA

>  <smiles>
CCc1cc(ccc1O)C(=O)NCC(O)c1cc(F)c(F)c(F)c1

$$$$
ZINC000340843393
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.0621 -2.0 0.0 0
M  V30 2 C 5.1961 -1.5 0.0 0
M  V30 3 C 5.1961 -0.5 0.0 0
M  V30 4 C 4.3301 -1.9999 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0
M  V30 6 C 3.4641 -1.4999 0.0 0
M  V30 7 N 4.3301 0.9999 0.0 0
M  V30 8 C 3.4641 -0.4999 0.0 0
M  V30 9 C 3.4641 1.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 O 3.4641 2.5 0.0 0
M  V30 12 C 2.598 0.9999 0.0 0
M  V30 13 C 1.732 -0.5 0.0 0
M  V30 14 O 1.732 -1.5 0.0 0
M  V30 15 N 0.866 0.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 C -0.9135 -0.0932 0.0 0
M  V30 18 C -0.1045 -1.4945 0.0 0
M  V30 19 F -1.1214 0.8848 0.0 0
M  V30 20 C -1.5826 -0.8364 0.0 0
M  V30 21 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 6 8
M  V30 22 2 10 12
M  V30 23 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000340843393

>  <name>
NA

>  <smiles>
OC(NC1CCCC1F)c1cc(=O)[nH]c2cc(F)ccc12

$$$$
ZINC001388096370
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 11.6913 0.0 0.0 0
M  V30 2 O 12.4413 1.299 0.0 0
M  V30 3 O 10.9413 1.299 0.0 0
M  V30 4 N 10.3923 -0.75 0.0 0
M  V30 5 C 12.9904 -0.75 0.0 0
M  V30 6 C 9.0932 0.0 0.0 0
M  V30 7 C 14.2894 0.0 0.0 0
M  V30 8 C 7.7942 -0.75 0.0 0
M  V30 9 O 7.7942 -2.25 0.0 0
M  V30 10 N 6.4952 0.0 0.0 0
M  V30 11 C 5.1961 -0.75 0.0 0
M  V30 12 C 3.8971 0.0 0.0 0 CFG=1
M  V30 13 N 2.598 -0.75 0.0 0
M  V30 14 C 3.8971 1.5 0.0 0
M  V30 15 C 1.299 0.0 0.0 0
M  V30 16 C 2.598 2.25 0.0 0
M  V30 17 O 1.299 1.5 0.0 0
M  V30 18 C 0.0 -0.75 0.0 0
M  V30 19 N -1.3703 -0.1398 0.0 0
M  V30 20 C -0.1567 -2.2417 0.0 0
M  V30 21 C -2.374 -1.2546 0.0 0
M  V30 22 C -1.624 -2.5536 0.0 0
M  V30 23 F -2.2341 -3.9239 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 2 1 3
M  V30 3 1 1 4
M  V30 4 1 1 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 12 11
M  V30 12 1 12 13 CFG=1
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 18 19
M  V30 19 2 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 22 23
M  V30 23 2 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001388096370

>  <name>
NA

>  <smiles>
CCC(CNC(=O)CNS(=O)(=O)CC)NC(=O)c1cc(F)c[nH]1

$$$$
ZINC000375644885
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F -2.4494 1.9494 0.0 0
M  V30 2 C -1.4835 1.6906 0.0 0
M  V30 3 C -1.2247 0.7247 0.0 0
M  V30 4 C -0.7764 2.3977 0.0 0
M  V30 5 C -0.2588 0.4659 0.0 0
M  V30 6 C 0.1894 2.1389 0.0 0
M  V30 7 C 0.4482 1.173 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.4999 -1.366 0.0 0
M  V30 11 C -0.9999 -0.5 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 O 1.732 -1.5 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 16 N 3.3893 -1.4972 0.0 0
M  V30 17 C 4.2903 0.0633 0.0 0
M  V30 18 C 4.1224 -2.1773 0.0 0
M  V30 19 C 5.2459 -0.2314 0.0 0
M  V30 20 O 3.8276 -3.1329 0.0 0
M  V30 21 C 5.1112 -2.0283 0.0 0
M  V30 22 C 5.6112 -1.1623 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 15 14 CFG=1
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 6 7
M  V30 23 1 10 11
M  V30 24 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 15)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000375644885

>  <name>
NA

>  <smiles>
Fc1cccc(c1)C1(CC1)NC(=O)CC1CCCCC(=O)N1

$$$$
ZINC001434119435
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 6.9282 1.4999 0.0 0
M  V30 2 C 6.0621 0.9999 0.0 0
M  V30 3 C 5.1961 1.4999 0.0 0
M  V30 4 C 6.0621 0.0 0.0 0
M  V30 5 C 4.3301 0.9999 0.0 0
M  V30 6 C 5.1961 -0.5 0.0 0
M  V30 7 F 3.4641 1.5 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 10 O 3.4641 -1.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 O 2.598 1.0 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 N -0.866 0.0 0.0 0
M  V30 17 C 0.0 -1.4999 0.0 0
M  V30 18 C -1.732 -0.4999 0.0 0
M  V30 19 C -0.866 -1.9999 0.0 0
M  V30 20 O -2.598 0.0 0.0 0
M  V30 21 N -1.732 -1.4999 0.0 0
M  V30 22 O -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 9 8
M  V30 9 1 9 10 CFG=1
M  V30 10 1 9 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 2 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 1 6 8
M  V30 23 1 19 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001434119435

>  <name>
NA

>  <smiles>
OC(C(=O)NCc1cc(=O)[nH]c(=O)[nH]1)c1ccc(Cl)cc1F

$$$$
ZINC001210020328
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.3301 -1.9999 0.0 0
M  V30 2 C 3.4641 -1.4999 0.0 0
M  V30 3 C 3.4641 -0.5 0.0 0
M  V30 4 C 2.598 -1.9999 0.0 0
M  V30 5 C 2.598 0.0 0.0 0
M  V30 6 C 1.732 -1.5 0.0 0
M  V30 7 O 2.598 1.0 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C 0.0 -0.5 0.0 0
M  V30 11 C -0.866 0.0 0.0 0
M  V30 12 C 0.0 -1.4999 0.0 0
M  V30 13 N -0.866 1.0 0.0 0
M  V30 14 C -1.732 -0.4999 0.0 0
M  V30 15 C -0.866 -1.9999 0.0 0
M  V30 16 C -1.732 1.5 0.0 0
M  V30 17 C 0.0 1.5 0.0 0
M  V30 18 C -1.732 -1.4999 0.0 0
M  V30 19 C -2.598 0.0 0.0 0
M  V30 20 O -1.732 2.5 0.0 0
M  V30 21 N -2.598 1.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 13 16
M  V30 16 1 13 17
M  V30 17 2 14 18
M  V30 18 1 14 19
M  V30 19 2 16 20
M  V30 20 1 16 21
M  V30 21 1 6 8
M  V30 22 1 15 18
M  V30 23 1 19 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001210020328

>  <name>
NA

>  <smiles>
CN1C(=O)NCc2cccc(Nc3ccc(F)cc3O)c12

$$$$
ZINC001560238406
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -3.0 0.0 0
M  V30 2 C 2.598 -1.9999 0.0 0
M  V30 3 N 3.4641 -1.4999 0.0 0
M  V30 4 C 1.732 -1.4999 0.0 0
M  V30 5 N 4.4151 -1.809 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 C 5.0029 -0.9999 0.0 0
M  V30 9 N 4.4151 -0.1909 0.0 0
M  V30 10 N 2.598 0.0 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 N 6.0029 -0.9999 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C -0.866 0.0 0.0 0
M  V30 15 C 0.0 -1.4999 0.0 0
M  V30 16 C -1.732 -0.4999 0.0 0
M  V30 17 C -0.866 -1.9999 0.0 0
M  V30 18 C -1.732 -1.4999 0.0 0
M  V30 19 C -2.598 0.0 0.0 0
M  V30 20 C -2.598 -1.9999 0.0 0
M  V30 21 C -3.4641 -0.4999 0.0 0
M  V30 22 C -3.4641 -1.4999 0.0 0
M  V30 23 O -4.3301 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 22 23
M  V30 23 1 7 10
M  V30 24 1 8 9
M  V30 25 1 17 18
M  V30 26 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001560238406

>  <name>
NA

>  <smiles>
Oc1ccc2CN(Cc3cc(=O)n4[nH]c(=N)nc4[nH]3)CCc2c1

$$$$
ZINC000652187354
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 10.3923 -0.75 0.0 0
M  V30 2 C 9.0932 0.0 0.0 0
M  V30 3 C 7.7942 -0.75 0.0 0
M  V30 4 C 6.4951 0.0 0.0 0 CFG=2
M  V30 5 N 5.1961 -0.75 0.0 0
M  V30 6 C 6.4951 1.5 0.0 0
M  V30 7 C 3.8971 0.0 0.0 0
M  V30 8 O 5.1961 2.25 0.0 0
M  V30 9 O 3.8971 1.5 0.0 0
M  V30 10 C 2.598 -0.75 0.0 0
M  V30 11 O 2.598 -2.25 0.0 0
M  V30 12 N 1.299 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 C -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.2499 0.0 0
M  V30 16 C -2.598 -0.7499 0.0 0
M  V30 17 C -1.299 -2.9999 0.0 0
M  V30 18 N -4.0246 -0.2864 0.0 0
M  V30 19 C -2.598 -2.2499 0.0 0
M  V30 20 C -4.9063 -1.4999 0.0 0
M  V30 21 C -4.4881 1.1401 0.0 0
M  V30 22 N -4.0246 -2.7135 0.0 0
M  V30 23 O -6.4063 -1.4999 0.0 0
M  V30 24 C -4.4881 -4.1401 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 4 3
M  V30 4 1 4 5 CFG=3
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 1 7 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 16 18
M  V30 18 2 16 19
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 22 24
M  V30 24 1 17 19
M  V30 25 1 20 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 4)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000652187354

>  <name>
NA

>  <smiles>
Cn1c2ccc(NC(=O)C(=O)NC(CO)CCF)cc2n(C)c1=O

$$$$
ZINC000854380542
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.4641 2.5 0.0 0
M  V30 2 C 3.4641 2.5 0.0 0
M  V30 3 F 3.4641 3.5 0.0 0
M  V30 4 F 4.4641 2.5 0.0 0
M  V30 5 C 3.4641 1.5 0.0 0
M  V30 6 C 2.598 1.0 0.0 0
M  V30 7 C 4.3301 1.0 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 C 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.4999 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0 CFG=1
M  V30 12 O 1.732 -1.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 O 0.866 1.0 0.0 0
M  V30 15 N 0.0 -0.5 0.0 0
M  V30 16 C -0.9659 -0.2411 0.0 0
M  V30 17 C -0.2588 -1.4659 0.0 0
M  V30 18 C -1.2247 -1.2071 0.0 0
M  V30 19 O -1.0942 -2.1985 0.0 0
M  V30 20 C -2.0907 -1.7071 0.0 0
M  V30 21 C -2.9567 -1.2071 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 11 8
M  V30 11 1 11 12 CFG=1
M  V30 12 1 11 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 1 9 10
M  V30 22 1 17 18
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000854380542

>  <name>
NA

>  <smiles>
CCC1(O)CN(C1)C(=O)C(O)c1cccc(c1)C(F)(F)F

$$$$
ZINC001582413187
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 -1.5 0.0 0
M  V30 2 C 6.9282 -0.5 0.0 0
M  V30 3 N 7.7942 0.0 0.0 0
M  V30 4 C 6.0621 0.0 0.0 0
M  V30 5 C 7.7942 0.9999 0.0 0
M  V30 6 C 5.1961 -0.5 0.0 0
M  V30 7 C 6.0621 0.9999 0.0 0
M  V30 8 C 6.9282 1.4999 0.0 0
M  V30 9 O 5.1961 -1.4999 0.0 0
M  V30 10 N 4.3301 0.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 C 3.4641 -1.5 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 4.3301 -2.0 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 O 0.866 1.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 N -0.9135 -0.0932 0.0 0
M  V30 20 C -0.1045 -1.4945 0.0 0
M  V30 21 C -1.5826 -0.8364 0.0 0
M  V30 22 C -1.0826 -1.7024 0.0 0
M  V30 23 C -1.4894 -2.6159 0.0 0
M  V30 24 N -1.8961 -3.5295 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 2 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 22 23
M  V30 23 3 23 24
M  V30 24 1 7 8
M  V30 25 2 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001582413187

>  <name>
NA

>  <smiles>
CCC(CNC(=O)c1cc(c[nH]1)C#N)NC(=O)C1CCCNC1=O

$$$$
ZINC000552095548
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 4.3301 -2.9999 0.0 0
M  V30 2 C 4.3301 -1.9999 0.0 0
M  V30 3 C 5.1961 -1.5 0.0 0
M  V30 4 C 3.4641 -1.5 0.0 0
M  V30 5 O 6.0621 -2.0 0.0 0
M  V30 6 N 5.1961 -0.5 0.0 0
M  V30 7 C 3.4641 -0.5 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 C 2.598 0.0 0.0 0
M  V30 10 C 4.3301 1.0 0.0 0
M  V30 11 O 2.598 1.0 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0
M  V30 15 C -0.866 0.0 0.0 0
M  V30 16 C 0.0 -1.4999 0.0 0
M  V30 17 C -1.732 -0.4999 0.0 0
M  V30 18 C -0.866 -1.9999 0.0 0
M  V30 19 F -2.598 0.0 0.0 0
M  V30 20 C -1.732 -1.4999 0.0 0
M  V30 21 C -2.598 -1.9999 0.0 0
M  V30 22 O -2.598 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 2 4
M  V30 4 2 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 2 17 20
M  V30 20 1 20 21
M  V30 21 1 21 22
M  V30 22 2 7 8
M  V30 23 1 18 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000552095548

>  <name>
NA

>  <smiles>
Cc1[nH]c(=O)c(Br)cc1C(=O)NCc1ccc(CO)c(F)c1

$$$$
ZINC001642220589
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 21 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 0.0 0.0 0
M  V30 2 C 6.9282 -0.5 0.0 0
M  V30 3 C 6.0621 0.0 0.0 0
M  V30 4 C 6.9282 -1.5 0.0 0
M  V30 5 C 5.1961 -0.5 0.0 0
M  V30 6 C 6.0621 -2.0 0.0 0
M  V30 7 N 5.1961 -1.5 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 N 3.4641 -0.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 O 2.598 1.0 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 N 0.0 -0.5 0.0 0
M  V30 15 C -0.9135 -0.0932 0.0 0
M  V30 16 C -0.1045 -1.4945 0.0 0
M  V30 17 O -1.1214 0.8848 0.0 0
M  V30 18 C -1.5826 -0.8364 0.0 0
M  V30 19 O 0.6386 -2.1636 0.0 0
M  V30 20 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 2 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 15 18
M  V30 18 1 16 19
M  V30 19 2 16 20
M  V30 20 1 6 7
M  V30 21 1 18 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001642220589

>  <name>
NA

>  <smiles>
Oc1ccc(O)n1CCC(=O)NCc1cc(=O)cc[nH]1

$$$$
ZINC001390705957
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 -0.5 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 N 5.1961 -0.5 0.0 0
M  V30 4 C 6.0621 0.9999 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0 CFG=2
M  V30 6 N 6.8711 1.5877 0.0 0
M  V30 7 C 5.2531 1.5877 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0
M  V30 9 C 4.3301 1.0 0.0 0
M  V30 10 C 6.5621 2.5388 0.0 0
M  V30 11 C 5.5621 2.5388 0.0 0
M  V30 12 N 2.598 0.0 0.0 0
M  V30 13 C 3.4641 1.5 0.0 0
M  V30 14 C 4.9743 3.3478 0.0 0
M  V30 15 C 1.732 -0.5 0.0 0
M  V30 16 N 4.3866 4.1568 0.0 0
M  V30 17 O 1.732 -1.5 0.0 0
M  V30 18 C 0.866 0.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 N -0.9135 -0.0932 0.0 0
M  V30 21 N -0.1045 -1.4945 0.0 0
M  V30 22 N -1.5826 -0.8364 0.0 0
M  V30 23 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 3 CFG=3
M  V30 5 1 4 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 8 12
M  V30 12 1 9 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 3 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 2 10 11
M  V30 24 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001390705957

>  <name>
NA

>  <smiles>
CCC(CNC(=O)Cc1nc[nH]n1)NC(=O)c1cc(c[nH]1)C#N

$$$$
ZINC000581635206
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 1.5726 -3.5865 0.0 0
M  V30 2 C 1.625 -2.5879 0.0 0
M  V30 3 C 0.7863 -2.0432 0.0 0
M  V30 4 C 2.516 -2.1339 0.0 0
M  V30 5 C 0.8386 -1.0446 0.0 0
M  V30 6 C 2.5683 -1.1352 0.0 0
M  V30 7 C 1.7296 -0.5906 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.9135 -0.0932 0.0 0
M  V30 11 C -0.1045 -1.4945 0.0 0
M  V30 12 C 0.866 0.9999 0.0 0
M  V30 13 C -1.5826 -0.8364 0.0 0
M  V30 14 C -1.0826 -1.7024 0.0 0
M  V30 15 O 1.732 1.4999 0.0 0
M  V30 16 C 0.0 1.5 0.0 0
M  V30 17 C -0.866 1.0 0.0 0
M  V30 18 C 0.0 2.5 0.0 0
M  V30 19 C -1.732 1.4999 0.0 0
M  V30 20 C -0.866 2.9999 0.0 0
M  V30 21 O -2.598 1.0 0.0 0
M  V30 22 N -1.732 2.5 0.0 0
M  V30 23 C -0.866 4.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 6 7
M  V30 24 1 13 14
M  V30 25 1 20 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000581635206

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1cccc(Cl)c1

$$$$
ZINC001215683914
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.8301 0.866 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 F 5.1961 0.4999 0.0 0
M  V30 4 F 4.8301 -0.866 0.0 0
M  V30 5 C 3.4641 -0.5 0.0 0
M  V30 6 C 2.598 0.0 0.0 0
M  V30 7 C 3.4641 -1.4999 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 C 2.598 -2.0 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 1.732 -1.5 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C 0.866 -1.9999 0.0 0
M  V30 14 C -0.866 0.0 0.0 0
M  V30 15 C 0.0 -1.4999 0.0 0
M  V30 16 O 0.866 -2.9999 0.0 0
M  V30 17 O -0.866 1.0 0.0 0
M  V30 18 C -1.732 -0.4999 0.0 0
M  V30 19 C -0.866 -1.9999 0.0 0
M  V30 20 C -1.732 -1.4999 0.0 0
M  V30 21 O -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 1 8 10
M  V30 10 2 8 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 14 18
M  V30 18 2 15 19
M  V30 19 2 18 20
M  V30 20 1 20 21
M  V30 21 1 9 11
M  V30 22 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001215683914

>  <name>
NA

>  <smiles>
OCc1ccc(cc1Nc1ccc(O)cc1O)C(F)(F)F

$$$$
ZINC000362390428
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 0.0 0.0 0
M  V30 2 C 3.4641 -0.5 0.0 0
M  V30 3 N 2.598 0.0 0.0 0
M  V30 4 C 3.4641 -1.5 0.0 0
M  V30 5 C 1.732 -0.5 0.0 0
M  V30 6 C 2.598 -1.9999 0.0 0
M  V30 7 C 4.3301 -2.0 0.0 0
M  V30 8 C 0.866 0.0 0.0 0
M  V30 9 C 2.598 -2.9999 0.0 0
M  V30 10 C 4.3301 -3.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C 3.4641 -3.5 0.0 0
M  V30 13 C 1.732 -3.4999 0.0 0
M  V30 14 N -0.9135 -0.0932 0.0 0
M  V30 15 N -0.1045 -1.4945 0.0 0
M  V30 16 O 3.4641 -4.5 0.0 0
M  V30 17 C 1.732 -4.4999 0.0 0
M  V30 18 C -1.5826 -0.8364 0.0 0
M  V30 19 C -1.0826 -1.7024 0.0 0
M  V30 20 C -2.5826 -0.8364 0.0 0
M  V30 21 C -1.5826 -2.5684 0.0 0
M  V30 22 C -3.0826 -1.7024 0.0 0
M  V30 23 C -2.5826 -2.5684 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 2 7 10
M  V30 10 1 8 11
M  V30 11 2 9 12
M  V30 12 1 9 13
M  V30 13 2 11 14
M  V30 14 1 11 15
M  V30 15 1 12 16
M  V30 16 1 13 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 2 21 23
M  V30 23 1 10 12
M  V30 24 2 18 19
M  V30 25 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000362390428

>  <name>
NA

>  <smiles>
CCc1cc(ccc1O)C(=O)NCCc1nc2ccccc2[nH]1

$$$$
ZINC000330807658
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 19 20 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 -0.5 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 N 4.3301 1.0 0.0 0
M  V30 4 C 3.4641 -0.4999 0.0 0
M  V30 5 C 3.4641 1.5 0.0 0
M  V30 6 C 2.598 0.0 0.0 0
M  V30 7 C 2.598 1.0 0.0 0
M  V30 8 C 3.4641 2.5 0.0 0
M  V30 9 C 1.732 -0.5 0.0 0
M  V30 10 O 1.732 -1.5 0.0 0
M  V30 11 N 0.866 0.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 N -0.9135 -0.0932 0.0 0
M  V30 14 C -0.1045 -1.4945 0.0 0
M  V30 15 N -1.5826 -0.8364 0.0 0
M  V30 16 C -1.1214 0.8848 0.0 0
M  V30 17 C -1.0826 -1.7024 0.0 0
M  V30 18 C -0.3783 1.554 0.0 0
M  V30 19 C -0.5862 2.5321 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 2 11 12 CFG=2
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 6 7
M  V30 20 1 15 17
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000330807658

>  <name>
NA

>  <smiles>
CCCn1[nH]ccc1=NC(=O)C1CC(C)NC(=O)C1

$$$$
ZINC001243738834
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 1.299 0.0 0.0 0
M  V30 2 C 0.0 -0.75 0.0 0
M  V30 3 N -1.299 0.0 0.0 0
M  V30 4 C 0.0 -2.25 0.0 0
M  V30 5 C -2.598 -0.75 0.0 0
M  V30 6 C -1.299 -3.0 0.0 0
M  V30 7 C 1.299 -3.0 0.0 0
M  V30 8 C -2.598 -2.25 0.0 0
M  V30 9 C -3.348 0.549 0.0 0
M  V30 10 C -4.098 -0.75 0.0 0
M  V30 11 C -1.299 -4.5 0.0 0
M  V30 12 C 1.299 -4.5 0.0 0
M  V30 13 C 0.0 -5.25 0.0 0
M  V30 14 C 0.0 -6.75 0.0 0
M  V30 15 N -1.299 -7.5 0.0 0
M  V30 16 C 1.299 -7.5 0.0 0
M  V30 17 C -1.299 -9.0 0.0 0
M  V30 18 C 1.299 -9.0 0.0 0
M  V30 19 O -2.598 -9.75 0.0 0
M  V30 20 C 0.0 -9.75 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 5 10
M  V30 10 1 6 11
M  V30 11 2 7 12
M  V30 12 2 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 2 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 6 8
M  V30 21 1 12 13
M  V30 22 2 18 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001243738834

>  <name>
NA

>  <smiles>
CC1(C)Cc2cc(ccc2C(=O)N1)-c1cccc(=O)[nH]1

$$$$
ZINC001545022583
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.9282 1.4999 0.0 0
M  V30 2 C 6.0621 0.9999 0.0 0
M  V30 3 C 5.1961 1.4999 0.0 0
M  V30 4 C 6.0621 0.0 0.0 0
M  V30 5 C 4.3301 0.9999 0.0 0
M  V30 6 C 5.1961 2.5 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 F 6.0621 2.9999 0.0 0
M  V30 10 F 4.3301 3.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 O 3.4641 -1.5 0.0 0
M  V30 13 N 2.598 0.0 0.0 0
M  V30 14 C 1.732 -0.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 N -0.9135 -0.0932 0.0 0
M  V30 18 C -0.1045 -1.4945 0.0 0
M  V30 19 C -1.5826 -0.8364 0.0 0
M  V30 20 C -1.0826 -1.7024 0.0 0
M  V30 21 C -2.5826 -0.8364 0.0 0
M  V30 22 C -1.5826 -2.5684 0.0 0
M  V30 23 C -3.0826 -1.7024 0.0 0
M  V30 24 C -2.5826 -2.5684 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 8 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 2 22 24
M  V30 24 1 7 8
M  V30 25 2 19 20
M  V30 26 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001545022583

>  <name>
NA

>  <smiles>
FC(F)c1cc(ccc1F)C(=O)NCCc1cc2ccccc2[nH]1

$$$$
ZINC000359776778
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 7.7942 2.25 0.0 0
M  V30 2 C 6.4951 1.5 0.0 0
M  V30 3 C 5.1961 2.25 0.0 0
M  V30 4 C 6.4951 0.0 0.0 0
M  V30 5 C 3.8971 1.5 0.0 0
M  V30 6 C 5.1961 -0.7499 0.0 0
M  V30 7 C 3.8971 0.0 0.0 0
M  V30 8 C 2.598 2.2499 0.0 0
M  V30 9 C 2.598 -0.75 0.0 0
M  V30 10 O 2.598 -2.25 0.0 0
M  V30 11 N 1.299 0.0 0.0 0
M  V30 12 C 0.0 -0.75 0.0 0
M  V30 13 C -1.299 0.0 0.0 0
M  V30 14 C 0.0 -2.2499 0.0 0
M  V30 15 O -1.299 1.5 0.0 0
M  V30 16 C -2.598 -0.7499 0.0 0
M  V30 17 C -1.299 -2.9999 0.0 0
M  V30 18 C -2.598 -2.2499 0.0 0
M  V30 19 N -1.6109 -4.4672 0.0 0
M  V30 20 N -3.7127 -3.2536 0.0 0
M  V30 21 C -3.1026 -4.624 0.0 0
M  V30 22 C -0.6072 -5.5819 0.0 0
M  V30 23 C -5.18 -2.9418 0.0 0
M  V30 24 O -3.8526 -5.923 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 21 24
M  V30 24 1 6 7
M  V30 25 1 17 18
M  V30 26 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000359776778

>  <name>
NA

>  <smiles>
Cc1cc(Cl)ccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1O

$$$$
ZINC000366547176
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 9.0932 -3.0 0.0 0
M  V30 2 C 7.7942 -2.25 0.0 0
M  V30 3 C 7.7942 -0.75 0.0 0
M  V30 4 C 6.4951 -2.9999 0.0 0
M  V30 5 C 6.4951 0.0 0.0 0
M  V30 6 C 5.1961 -2.25 0.0 0
M  V30 7 N 6.4951 1.4999 0.0 0
M  V30 8 C 5.1961 -0.7499 0.0 0
M  V30 9 C 5.1961 2.25 0.0 0
M  V30 10 C 3.8971 0.0 0.0 0
M  V30 11 O 5.1961 3.75 0.0 0
M  V30 12 C 3.8971 1.4999 0.0 0
M  V30 13 C 2.598 -0.75 0.0 0 CFG=2
M  V30 14 O 2.598 -2.25 0.0 0
M  V30 15 N 1.299 0.0 0.0 0
M  V30 16 C 0.0 -0.75 0.0 0
M  V30 17 C 0.0 0.75 0.0 0
M  V30 18 C 0.0 -2.25 0.0 0
M  V30 19 C -1.299 0.0 0.0 0
M  V30 20 O -1.299 1.4999 0.0 0
M  V30 21 N 1.299 1.5 0.0 0
M  V30 22 C -1.299 -3.0 0.0 0
M  V30 23 C -2.598 -0.75 0.0 0
M  V30 24 O -2.598 -2.25 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 13 10
M  V30 13 1 13 14 CFG=3
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 17 21
M  V30 21 1 18 22
M  V30 22 1 19 23
M  V30 23 1 22 24
M  V30 24 1 6 8
M  V30 25 2 10 12
M  V30 26 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000366547176

>  <name>
NA

>  <smiles>
NC(=O)C1(CCOCC1)NC(O)c1cc(=O)[nH]c2cc(F)ccc12

$$$$
ZINC001413198333
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 21 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 4.3301 -3.0 0.0 0
M  V30 2 C 4.3301 -1.9999 0.0 0
M  V30 3 C 5.1961 -3.5 0.0 0
M  V30 4 N 5.1961 -1.5 0.0 0
M  V30 5 N 3.4641 -1.5 0.0 0
M  V30 6 C 5.1961 -0.5 0.0 0
M  V30 7 C 3.4641 -0.5 0.0 0
M  V30 8 O 6.0621 0.0 0.0 0
M  V30 9 C 4.3301 0.0 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 N 1.732 -0.5 0.0 0
M  V30 12 C 0.866 0.0 0.0 0
M  V30 13 O 0.866 1.0 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0
M  V30 15 N -0.866 0.0 0.0 0
M  V30 16 C 0.0 -1.4999 0.0 0
M  V30 17 C -1.732 -0.4999 0.0 0
M  V30 18 C -0.866 -1.9999 0.0 0
M  V30 19 O -2.598 0.0 0.0 0
M  V30 20 C -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 2 6 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 2 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 2 7 9
M  V30 21 2 18 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001413198333

>  <name>
NA

>  <smiles>
CSc1nc(=O)cc(CNC(=O)c2cccc(=O)[nH]2)[nH]1

$$$$
ZINC001657892551
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.8971 6.0 0.0 0
M  V30 2 C 3.8971 4.5 0.0 0
M  V30 3 C 2.598 3.75 0.0 0
M  V30 4 C 5.1961 3.75 0.0 0
M  V30 5 C 2.598 2.25 0.0 0
M  V30 6 C 5.1961 2.25 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 3.8971 0.0 0.0 0 CFG=1
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 5.1961 -0.75 0.0 0
M  V30 11 C 1.299 0.0 0.0 0
M  V30 12 C 6.4951 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 N -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.2499 0.0 0
M  V30 16 C -2.598 -0.7499 0.0 0
M  V30 17 C -1.299 -2.9999 0.0 0
M  V30 18 N -4.0246 -0.2864 0.0 0
M  V30 19 N -2.598 -2.2499 0.0 0
M  V30 20 O -1.299 -4.4999 0.0 0
M  V30 21 C -4.9063 -1.4999 0.0 0
M  V30 22 N -4.0246 -2.7135 0.0 0
M  V30 23 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 7
M  V30 8 1 8 9 CFG=3
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 21 23
M  V30 23 1 6 7
M  V30 24 1 17 19
M  V30 25 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001657892551

>  <name>
NA

>  <smiles>
CCC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccc(F)cc1

$$$$
ZINC000667729470
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 0.0 1.5 0.0 0
M  V30 2 C 0.866 0.9999 0.0 0
M  V30 3 N 1.732 1.4999 0.0 0
M  V30 4 N 0.866 0.0 0.0 0
M  V30 5 C 1.732 2.4999 0.0 0
M  V30 6 C 0.0 -0.5 0.0 0
M  V30 7 C 0.866 3.0 0.0 0
M  V30 8 C 2.598 2.9999 0.0 0
M  V30 9 C 0.8386 -1.0446 0.0 0
M  V30 10 C -0.9135 -0.0932 0.0 0
M  V30 11 C -0.1045 -1.4945 0.0 0
M  V30 12 C 0.866 3.9999 0.0 0
M  V30 13 C 2.598 3.9999 0.0 0
M  V30 14 C 0.7863 -2.0432 0.0 0
M  V30 15 C 1.7296 -0.5906 0.0 0
M  V30 16 C -1.5826 -0.8364 0.0 0
M  V30 17 C -1.0826 -1.7024 0.0 0
M  V30 18 C 1.732 4.4999 0.0 0
M  V30 19 C 0.0 4.4999 0.0 0
M  V30 20 C 1.625 -2.5879 0.0 0
M  V30 21 C 2.5683 -1.1352 0.0 0
M  V30 22 N 0.0 5.4999 0.0 0
M  V30 23 C 2.516 -2.1339 0.0 0
M  V30 24 C 1.5726 -3.5865 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 6 11
M  V30 11 1 7 12
M  V30 12 2 8 13
M  V30 13 2 9 14
M  V30 14 1 9 15
M  V30 15 1 10 16
M  V30 16 1 11 17
M  V30 17 2 12 18
M  V30 18 1 12 19
M  V30 19 1 14 20
M  V30 20 2 15 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 20 24
M  V30 24 1 13 18
M  V30 25 1 16 17
M  V30 26 1 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000667729470

>  <name>
NA

>  <smiles>
Cc1cccc(c1)C1(CCCC1)NC(=O)Nc1cccc(CN)c1

$$$$
ZINC001267523150
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -3.0 0.0 0
M  V30 2 C 7.7942 -2.0 0.0 0
M  V30 3 N 8.6602 -1.5 0.0 0
M  V30 4 C 6.9282 -1.4999 0.0 0
M  V30 5 C 8.6602 -0.5 0.0 0
M  V30 6 C 6.9282 -0.5 0.0 0
M  V30 7 O 9.5262 0.0 0.0 0
M  V30 8 C 7.7942 0.0 0.0 0
M  V30 9 C 6.0621 0.0 0.0 0
M  V30 10 O 6.0621 0.9999 0.0 0
M  V30 11 N 5.1961 -0.5 0.0 0
M  V30 12 C 4.3301 0.0 0.0 0
M  V30 13 C 3.4641 -0.5 0.0 0
M  V30 14 N 2.598 0.0 0.0 0
M  V30 15 C 3.4641 -1.5 0.0 0
M  V30 16 C 1.732 -0.5 0.0 0
M  V30 17 C 2.598 -1.9999 0.0 0
M  V30 18 C 4.3301 -2.0 0.0 0
M  V30 19 C 0.866 0.0 0.0 0
M  V30 20 C 2.598 -2.9999 0.0 0
M  V30 21 C 4.3301 -3.0 0.0 0
M  V30 22 O 0.0 -0.5 0.0 0
M  V30 23 C 3.4641 -3.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 6 8
M  V30 24 1 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001267523150

>  <name>
NA

>  <smiles>
OCCNC(CNC(O)c1cc(O)[nH]c(=O)c1)c1ccccc1

$$$$
ZINC001370698724
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 9.5262 0.0 0.0 0
M  V30 2 C 8.6602 -0.5 0.0 0
M  V30 3 N 7.7942 0.0 0.0 0
M  V30 4 C 8.6602 -1.5 0.0 0
M  V30 5 C 6.9282 -0.5 0.0 0
M  V30 6 C 7.7942 -2.0 0.0 0
M  V30 7 C 6.0621 0.0 0.0 0
M  V30 8 C 6.9282 -1.5 0.0 0
M  V30 9 O 6.0621 0.9999 0.0 0
M  V30 10 N 5.1961 -0.5 0.0 0
M  V30 11 C 4.3301 0.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0
M  V30 13 N 2.598 0.0 0.0 0
M  V30 14 C 3.4641 -1.5 0.0 0
M  V30 15 C 1.732 -0.5 0.0 0
M  V30 16 O 4.3301 -2.0 0.0 0
M  V30 17 O 1.732 -1.5 0.0 0
M  V30 18 C 0.866 0.0 0.0 0
M  V30 19 N 0.866 1.0 0.0 0
M  V30 20 C 0.0 -0.5 0.0 0
M  V30 21 N 1.675 1.5877 0.0 0
M  V30 22 C 0.057 1.5877 0.0 0
M  V30 23 C 1.366 2.5388 0.0 0
M  V30 24 C 0.366 2.5388 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 2 7 9
M  V30 9 1 7 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 18 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 19 22
M  V30 22 2 21 23
M  V30 23 2 22 24
M  V30 24 1 6 8
M  V30 25 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001370698724

>  <name>
NA

>  <smiles>
CC(C(=O)NC(CO)CNC(=O)c1cccc(=O)[nH]1)n1cccn1

$$$$
ZINC001150764988
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 3.4641 1.4999 0.0 0
M  V30 2 C 4.3301 1.0 0.0 0
M  V30 3 C 4.3301 0.0 0.0 0
M  V30 4 C 5.1961 1.5 0.0 0
M  V30 5 C 5.1961 -0.4999 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 7 C 6.0621 1.0 0.0 0
M  V30 8 Cl 5.1961 -1.4999 0.0 0
M  V30 9 C 6.0621 0.0 0.0 0
M  V30 10 O 3.4641 -1.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 O 0.866 1.0 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 N -0.9135 -0.0932 0.0 0
M  V30 17 C -0.1045 -1.4945 0.0 0
M  V30 18 C -1.5826 -0.8364 0.0 0
M  V30 19 C -1.0826 -1.7024 0.0 0
M  V30 20 C -2.5826 -0.8364 0.0 0
M  V30 21 C -1.5826 -2.5684 0.0 0
M  V30 22 F -3.0826 0.0296 0.0 0
M  V30 23 C -3.0826 -1.7024 0.0 0
M  V30 24 C -2.5826 -2.5684 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 3
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 5 9
M  V30 9 1 6 10 CFG=1
M  V30 10 1 6 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 2 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 20 23
M  V30 23 2 21 24
M  V30 24 1 7 9
M  V30 25 2 18 19
M  V30 26 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001150764988

>  <name>
NA

>  <smiles>
OC(CNC(=O)c1cc2cccc(F)c2[nH]1)c1c(Cl)cccc1Cl

$$$$
ZINC001100373134
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 -0.5 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 N 3.4641 -0.5 0.0 0
M  V30 4 N 4.3301 1.0 0.0 0
M  V30 5 C 2.598 0.0 0.0 0
M  V30 6 O 2.598 1.0 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 N 0.866 0.0 0.0 0
M  V30 9 C 0.0 -0.5 0.0 0
M  V30 10 C -0.9659 -0.2411 0.0 0
M  V30 11 C -0.2588 -1.4659 0.0 0
M  V30 12 C -1.2247 -1.2071 0.0 0
M  V30 13 C -2.0907 -1.7071 0.0 0
M  V30 14 N -2.0907 -2.7071 0.0 0
M  V30 15 C -2.9567 -3.2071 0.0 0
M  V30 16 O -3.8228 -2.7071 0.0 0
M  V30 17 C -2.9567 -4.2071 0.0 0
M  V30 18 N -3.7658 -4.7948 0.0 0
M  V30 19 C -2.1477 -4.7948 0.0 0
M  V30 20 C -3.4567 -5.7459 0.0 0
M  V30 21 C -2.4567 -5.7459 0.0 0
M  V30 22 C -3.7658 -6.697 0.0 0
M  V30 23 O -2.1477 -6.697 0.0 0
M  V30 24 C -2.9567 -7.2847 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 1 11 12
M  V30 25 2 20 21
M  V30 26 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001100373134

>  <name>
NA

>  <smiles>
NC(=O)NC(=O)CNC1CC(CNC(=O)c2cc3occc3[nH]2)C1

$$$$
ZINC000680342925
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br -1.0352 3.3637 0.0 0
M  V30 2 C -0.7764 2.3977 0.0 0
M  V30 3 C 0.1894 2.1389 0.0 0
M  V30 4 C -1.4835 1.6906 0.0 0
M  V30 5 C 0.4482 1.173 0.0 0
M  V30 6 C -1.2247 0.7247 0.0 0
M  V30 7 C -0.2588 0.4659 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.4999 -1.366 0.0 0
M  V30 11 C -0.9999 -0.5 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 O 2.598 0.0 0.0 0
M  V30 14 C 1.732 -1.5 0.0 0
M  V30 15 C 0.866 -2.0 0.0 0
M  V30 16 C 2.598 -1.9999 0.0 0
M  V30 17 C 0.866 -3.0 0.0 0
M  V30 18 C 2.598 -2.9999 0.0 0
M  V30 19 O 0.0 -3.5 0.0 0
M  V30 20 N 1.732 -3.5 0.0 0
M  V30 21 C 3.4641 -3.4999 0.0 0
M  V30 22 C 4.3301 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 21 22
M  V30 22 1 6 7
M  V30 23 1 10 11
M  V30 24 1 18 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000680342925

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CC1)c1ccc(Br)cc1

$$$$
ZINC000949256124
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.0621 0.0 0.0 0
M  V30 2 C 5.1961 -0.5 0.0 0
M  V30 3 N 4.3301 0.0 0.0 0
M  V30 4 C 5.1961 -1.4999 0.0 0
M  V30 5 C 3.4641 -0.5 0.0 0
M  V30 6 C 4.3301 -1.9999 0.0 0
M  V30 7 C 2.598 0.0 0.0 0
M  V30 8 C 3.4641 -1.4999 0.0 0
M  V30 9 O 2.598 1.0 0.0 0
M  V30 10 N 1.732 -0.5 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0 CFG=2
M  V30 13 N -0.9659 -0.2411 0.0 0
M  V30 14 C -0.2588 -1.4659 0.0 0
M  V30 15 C -1.4659 0.6248 0.0 0
M  V30 16 C -1.2247 -1.2071 0.0 0
M  V30 17 O -2.4659 0.6248 0.0 0
M  V30 18 C -0.9659 1.4908 0.0 0
M  V30 19 N -1.4659 2.3568 0.0 0
M  V30 20 C -1.0591 3.2704 0.0 0
M  V30 21 C -2.4604 2.4614 0.0 0
M  V30 22 O -0.081 3.4783 0.0 0
M  V30 23 N -1.8023 3.9395 0.0 0
M  V30 24 N -2.6683 3.4395 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 2 7 9
M  V30 9 1 7 10
M  V30 10 1 10 11
M  V30 11 1 12 11 CFG=1
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 2 21 24
M  V30 24 1 6 8
M  V30 25 1 14 16
M  V30 26 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000949256124

>  <name>
NA

>  <smiles>
O=C(Cn1cn[nH]c1=O)N1CCC1CNC(=O)c1cccc(=O)[nH]1

$$$$
ZINC001206300116
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.4641 2.4999 0.0 0
M  V30 2 C 3.4641 1.4999 0.0 0
M  V30 3 N 2.598 1.0 0.0 0
M  V30 4 N 4.3301 0.9999 0.0 0
M  V30 5 C 2.598 0.0 0.0 0
M  V30 6 C 1.732 1.5 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 C 3.4641 -0.5 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 1.732 -1.5 0.0 0
M  V30 12 C 3.4641 -1.5 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0
M  V30 14 C 2.598 -2.0 0.0 0
M  V30 15 C -0.866 0.0 0.0 0
M  V30 16 C 0.0 -1.4999 0.0 0
M  V30 17 O -0.866 1.0 0.0 0
M  V30 18 C -1.732 -0.4999 0.0 0
M  V30 19 C -0.866 -1.9999 0.0 0
M  V30 20 C -1.732 -1.4999 0.0 0
M  V30 21 C -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 2 5 8
M  V30 8 1 5 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 2 9 12
M  V30 12 1 10 13
M  V30 13 2 11 14
M  V30 14 2 13 15
M  V30 15 1 13 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 2 18 20
M  V30 20 1 20 21
M  V30 21 1 7 9
M  V30 22 1 12 14
M  V30 23 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001206300116

>  <name>
NA

>  <smiles>
CN1C(=O)NCc2cccc(Nc3ccc(C)cc3O)c12

$$$$
ZINC001430663267
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 8.6393 0.2318 0.0 0
M  V30 2 C 7.6448 0.3364 0.0 0
M  V30 3 C 7.1448 1.2024 0.0 0
M  V30 4 C 6.9757 -0.4067 0.0 0
M  V30 5 N 6.1667 0.9945 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 O 5.1961 -1.4999 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0 CFG=1
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 1.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 O 0.866 1.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 N -0.9135 -0.0932 0.0 0
M  V30 18 C -0.1045 -1.4945 0.0 0
M  V30 19 C -1.5826 -0.8364 0.0 0
M  V30 20 C -1.0826 -1.7024 0.0 0
M  V30 21 C -2.5608 -1.0443 0.0 0
M  V30 22 C -1.7518 -2.4455 0.0 0
M  V30 23 C -2.6653 -2.0388 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 11 10
M  V30 11 1 11 12 CFG=1
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 16 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 5 6
M  V30 24 2 19 20
M  V30 25 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001430663267

>  <name>
NA

>  <smiles>
CC(CNC(=O)c1cc(F)c[nH]1)NC(=O)c1cc2CCCc2[nH]1

$$$$
ZINC000813548228
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 7.7942 0.0 0.0 0
M  V30 2 C 6.9282 -0.5 0.0 0
M  V30 3 C 6.0621 0.0 0.0 0
M  V30 4 C 6.9282 -1.5 0.0 0
M  V30 5 C 5.1961 -0.5 0.0 0
M  V30 6 C 6.0621 -2.0 0.0 0
M  V30 7 C 5.1961 -1.5 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 C 3.4641 -0.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0
M  V30 12 O 1.732 -1.5 0.0 0
M  V30 13 N 0.866 0.0 0.0 0
M  V30 14 N 0.0 -0.5 0.0 0
M  V30 15 C -0.9135 -0.0932 0.0 0
M  V30 16 C -0.1045 -1.4945 0.0 0
M  V30 17 O -1.1214 0.8848 0.0 0
M  V30 18 N -1.5826 -0.8364 0.0 0
M  V30 19 O 0.6386 -2.1636 0.0 0
M  V30 20 C -1.0826 -1.7024 0.0 0 CFG=1
M  V30 21 C -1.4894 -2.6159 0.0 0
M  V30 22 C -2.0813 -1.7547 0.0 0
M  V30 23 C -2.4839 -2.7205 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 2 9 10 CFG=2
M  V30 10 1 10 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 1 20 16
M  V30 20 1 20 21
M  V30 21 1 20 22 CFG=1
M  V30 22 1 21 23
M  V30 23 1 6 7
M  V30 24 1 18 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 20)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000813548228

>  <name>
NA

>  <smiles>
CCC1(C)NC(=O)N(NC(=O)C=CCc2cccc(F)c2)C1=O

$$$$
ZINC001399069329
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 7.6448 0.3364 0.0 0
M  V30 2 C 7.1448 1.2024 0.0 0
M  V30 3 C 6.9757 -0.4067 0.0 0
M  V30 4 O 7.5515 2.1159 0.0 0
M  V30 5 N 6.1667 0.9945 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 O 5.1961 -1.4999 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 C 3.4641 -1.5 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 4.3301 -2.0 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.9135 -0.0932 0.0 0
M  V30 19 C -0.1045 -1.4945 0.0 0
M  V30 20 C -1.5826 -0.8364 0.0 0
M  V30 21 N -1.0826 -1.7024 0.0 0
M  V30 22 O -2.5771 -0.7318 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 5 6
M  V30 23 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001399069329

>  <name>
NA

>  <smiles>
CCC(CNC(O)c1c[nH]c(=O)[nH]1)NC(=O)c1csc(=O)[nH]1

$$$$
ZINC001210306551
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.8301 -1.1339 0.0 0
M  V30 2 C 4.3301 -1.9999 0.0 0
M  V30 3 F 5.1961 -2.5 0.0 0
M  V30 4 F 3.8301 -2.866 0.0 0
M  V30 5 C 3.4641 -1.4999 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0
M  V30 7 C 2.598 -1.9999 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 C 4.3301 0.0 0.0 0
M  V30 10 C 1.732 -1.5 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0
M  V30 12 N 0.866 0.0 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0
M  V30 14 C -0.866 0.0 0.0 0
M  V30 15 C 0.0 -1.4999 0.0 0
M  V30 16 C -1.732 -0.4999 0.0 0
M  V30 17 C -0.866 1.0 0.0 0
M  V30 18 C -0.866 -1.9999 0.0 0
M  V30 19 N -2.598 0.0 0.0 0
M  V30 20 C -1.732 -1.4999 0.0 0
M  V30 21 N -1.732 1.5 0.0 0
M  V30 22 C -2.598 1.0 0.0 0
M  V30 23 C -1.732 2.5 0.0 0
M  V30 24 O -3.4641 1.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 1 6 9
M  V30 9 2 7 10
M  V30 10 2 8 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 16 19
M  V30 19 2 16 20
M  V30 20 1 17 21
M  V30 21 1 19 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 1 10 11
M  V30 25 1 18 20
M  V30 26 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001210306551

>  <name>
NA

>  <smiles>
CN1Cc2c(Nc3ccc(c(C)c3)C(F)(F)F)cccc2NC1=O

$$$$
ZINC000344179427
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 5.9282 -1.4999 0.0 0
M  V30 2 C 6.9282 -1.4999 0.0 0
M  V30 3 F 6.9282 -2.5 0.0 0
M  V30 4 F 7.9282 -1.5 0.0 0
M  V30 5 C 6.9282 -0.5 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 N 5.1961 -0.5 0.0 0
M  V30 8 C 6.0621 0.9999 0.0 0
M  V30 9 C 4.3301 0.0 0.0 0
M  V30 10 C 6.9282 1.4999 0.0 0
M  V30 11 C 5.1961 1.5 0.0 0
M  V30 12 O 4.3301 1.0 0.0 0
M  V30 13 C 3.4641 -0.5 0.0 0
M  V30 14 C 6.9282 2.4999 0.0 0
M  V30 15 C 5.1961 2.5 0.0 0
M  V30 16 C 2.598 0.0 0.0 0
M  V30 17 C 6.0621 3.0 0.0 0
M  V30 18 N 1.732 -0.5 0.0 0
M  V30 19 C 2.598 1.0 0.0 0
M  V30 20 C 0.866 0.0 0.0 0
M  V30 21 O 3.4641 1.4999 0.0 0
M  V30 22 N 1.732 1.5 0.0 0
M  V30 23 O 0.866 1.0 0.0 0
M  V30 24 C 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 5 6
M  V30 6 1 6 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 2 9 12
M  V30 12 1 9 13
M  V30 13 1 10 14
M  V30 14 2 11 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 20 24
M  V30 24 1 15 17
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000344179427

>  <name>
NA

>  <smiles>
CC(=O)NC(CC(=O)NC(CC(F)(F)F)c1ccccc1)C(N)=O

$$$$
ZINC001456864763
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 8.6393 0.2318 0.0 0
M  V30 2 C 7.6448 0.3364 0.0 0
M  V30 3 C 7.1448 1.2024 0.0 0
M  V30 4 C 6.9757 -0.4067 0.0 0
M  V30 5 N 6.1667 0.9945 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 O 5.1961 -1.4999 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0 CFG=1
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 1.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 1.732 1.5 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.9135 -0.0932 0.0 0
M  V30 19 C -0.1045 -1.4945 0.0 0
M  V30 20 C -1.5826 -0.8364 0.0 0
M  V30 21 C -1.0826 -1.7024 0.0 0
M  V30 22 C -2.5608 -1.0443 0.0 0
M  V30 23 C -1.7518 -2.4455 0.0 0
M  V30 24 C -2.6653 -2.0388 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 11 10
M  V30 11 1 11 12 CFG=1
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 5 6
M  V30 25 2 20 21
M  V30 26 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001456864763

>  <name>
NA

>  <smiles>
CCC(CNC(=O)c1cc(F)c[nH]1)NC(=O)c1cc2CCCc2[nH]1

$$$$
ZINC001210016407
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 19 20 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.598 1.0 0.0 0
M  V30 2 C 2.598 0.0 0.0 0
M  V30 3 C 1.732 -0.5 0.0 0
M  V30 4 C 3.4641 -0.4999 0.0 0
M  V30 5 C 0.866 0.0 0.0 0
M  V30 6 C 1.732 -1.5 0.0 0
M  V30 7 C 3.4641 -1.4999 0.0 0
M  V30 8 O 0.866 1.0 0.0 0
M  V30 9 C 0.0 -0.5 0.0 0
M  V30 10 C 2.598 -1.9999 0.0 0
M  V30 11 N 2.598 -2.9999 0.0 0
M  V30 12 C 3.4641 -3.4999 0.0 0
M  V30 13 C 3.4641 -4.4999 0.0 0
M  V30 14 C 4.3301 -2.9999 0.0 0
M  V30 15 O 2.598 -4.9999 0.0 0
M  V30 16 C 4.3301 -4.9999 0.0 0
M  V30 17 C 5.1961 -3.4999 0.0 0
M  V30 18 C 5.1961 -4.4999 0.0 0
M  V30 19 F 6.0621 -4.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 5 9
M  V30 9 2 6 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 2 16 18
M  V30 18 1 18 19
M  V30 19 1 7 10
M  V30 20 1 17 18
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001210016407

>  <name>
NA

>  <smiles>
CC(=O)c1cc(Nc2ccc(F)cc2O)ccc1F

$$$$
ZINC001320252297
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 1.0 0.0 0
M  V30 2 C 2.598 0.0 0.0 0
M  V30 3 N 3.4641 -0.5 0.0 0
M  V30 4 C 1.732 -0.5 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0 CFG=2
M  V30 6 C 0.866 0.0 0.0 0
M  V30 7 C 4.3301 0.9999 0.0 0
M  V30 8 C 5.1961 -0.5 0.0 0
M  V30 9 N 0.0 -0.5 0.0 0
M  V30 10 C 5.1961 1.4999 0.0 0
M  V30 11 C 3.5869 1.6691 0.0 0
M  V30 12 C 6.0621 0.0 0.0 0
M  V30 13 C -0.9135 -0.0932 0.0 0
M  V30 14 C -0.1045 -1.4945 0.0 0
M  V30 15 N 4.9882 2.4781 0.0 0
M  V30 16 C 6.0621 0.9999 0.0 0
M  V30 17 N 3.9937 2.5826 0.0 0
M  V30 18 O -1.1214 0.8848 0.0 0
M  V30 19 C -1.5826 -0.8364 0.0 0
M  V30 20 O 0.6386 -2.1636 0.0 0
M  V30 21 C -1.0826 -1.7024 0.0 0
M  V30 22 C 5.6573 3.2212 0.0 0
M  V30 23 C 6.6355 3.0133 0.0 0
M  V30 24 O 7.3046 3.7565 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 3 CFG=3
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 2 7 10
M  V30 10 1 7 11
M  V30 11 1 8 12
M  V30 12 1 9 13
M  V30 13 1 9 14
M  V30 14 1 10 15
M  V30 15 1 10 16
M  V30 16 2 11 17
M  V30 17 1 13 18
M  V30 18 2 13 19
M  V30 19 1 14 20
M  V30 20 2 14 21
M  V30 21 1 15 22
M  V30 22 1 22 23
M  V30 23 1 23 24
M  V30 24 1 12 16
M  V30 25 1 15 17
M  V30 26 1 19 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001320252297

>  <name>
NA

>  <smiles>
OCCn1ncc2C(CCCc12)NC(=O)CCn1c(O)ccc1O

$$$$
ZINC001450883400
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 0.0 0.0 0
M  V30 2 C 6.9282 -0.5 0.0 0
M  V30 3 N 6.0621 0.0 0.0 0
M  V30 4 C 6.9282 -1.4999 0.0 0
M  V30 5 C 5.1961 -0.5 0.0 0 CFG=2
M  V30 6 N 7.7372 -2.0877 0.0 0
M  V30 7 C 6.1191 -2.0877 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 C 5.1961 -1.5 0.0 0
M  V30 10 C 7.4282 -3.0388 0.0 0
M  V30 11 C 6.4282 -3.0388 0.0 0
M  V30 12 N 3.4641 -0.5 0.0 0
M  V30 13 C 4.3301 -1.9999 0.0 0
M  V30 14 C 5.8404 -3.8478 0.0 0
M  V30 15 C 2.598 0.0 0.0 0
M  V30 16 N 5.2526 -4.6568 0.0 0
M  V30 17 O 2.598 1.0 0.0 0
M  V30 18 C 1.732 -0.5 0.0 0
M  V30 19 C 0.866 0.0 0.0 0
M  V30 20 C 0.0 -0.5 0.0 0
M  V30 21 N -0.9135 -0.0932 0.0 0
M  V30 22 N -0.1045 -1.4945 0.0 0
M  V30 23 N -1.5826 -0.8364 0.0 0
M  V30 24 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 3 CFG=1
M  V30 5 1 4 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 8 12
M  V30 12 1 9 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 3 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 2 20 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 2 10 11
M  V30 25 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001450883400

>  <name>
NA

>  <smiles>
CCC(CNC(=O)CCc1nc[nH]n1)NC(=O)c1cc(c[nH]1)C#N

$$$$
ZINC001704834786
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 7.8139 1.9455 0.0 0
M  V30 2 C 7.1448 1.2024 0.0 0
M  V30 3 C 8.7275 1.5388 0.0 0
M  V30 4 C 7.6448 0.3364 0.0 0
M  V30 5 C 6.1667 0.9945 0.0 0
M  V30 6 C 8.623 0.5443 0.0 0
M  V30 7 N 6.9757 -0.4067 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 C 5.1961 -0.5 0.0 0
M  V30 10 O 5.1961 -1.4999 0.0 0
M  V30 11 N 4.3301 0.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 13 C 3.4641 -1.5 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 C 2.598 -1.9999 0.0 0
M  V30 16 C 4.3301 -2.0 0.0 0
M  V30 17 N 1.732 -0.5 0.0 0
M  V30 18 C 0.866 0.0 0.0 0
M  V30 19 O 0.866 1.0 0.0 0
M  V30 20 C 0.0 -0.5 0.0 0
M  V30 21 O -0.9135 -0.0932 0.0 0
M  V30 22 C -0.1045 -1.4945 0.0 0
M  V30 23 C -1.5826 -0.8364 0.0 0
M  V30 24 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 4 7
M  V30 7 2 5 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 12 11 CFG=3
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 2 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 4 6
M  V30 25 1 7 8
M  V30 26 2 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001704834786

>  <name>
NA

>  <smiles>
CC(C)C(CNC(=O)c1ccco1)NC(=O)c1cc2sccc2[nH]1

$$$$
ZINC001557357094
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 9.0932 0.0 0.0 0
M  V30 2 O 9.8432 -1.299 0.0 0
M  V30 3 O 8.3432 1.299 0.0 0
M  V30 4 N 10.3923 0.7499 0.0 0
M  V30 5 C 7.7942 -0.75 0.0 0
M  V30 6 C 6.4951 0.0 0.0 0
M  V30 7 C 7.7942 -2.2499 0.0 0
M  V30 8 C 5.1961 -0.75 0.0 0
M  V30 9 C 6.4951 -3.0 0.0 0
M  V30 10 C 5.1961 -2.2499 0.0 0
M  V30 11 C 3.8971 0.0 0.0 0
M  V30 12 F 3.8971 -2.9999 0.0 0
M  V30 13 N 2.598 -0.75 0.0 0
M  V30 14 C 1.299 0.0 0.0 0
M  V30 15 O 1.299 1.5 0.0 0
M  V30 16 C 0.0 -0.75 0.0 0
M  V30 17 C -1.299 0.0 0.0 0
M  V30 18 C 0.0 -2.2499 0.0 0
M  V30 19 S -1.299 1.5 0.0 0
M  V30 20 N -2.598 -0.7499 0.0 0
M  V30 21 N -1.299 -2.9999 0.0 0
M  V30 22 C 1.299 -3.0 0.0 0
M  V30 23 C -2.598 -2.2499 0.0 0
M  V30 24 O -3.8971 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 2 1 3
M  V30 3 1 1 4
M  V30 4 1 1 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 16 17
M  V30 17 2 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 18 22
M  V30 22 1 20 23
M  V30 23 2 23 24
M  V30 24 1 9 10
M  V30 25 1 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001557357094

>  <name>
NA

>  <smiles>
Cc1[nH]c(=O)[nH]c(=S)c1C(=O)NCc1cc(ccc1F)S(N)(=O)=O

$$$$
ZINC001387093185
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.5515 2.1159 0.0 0
M  V30 2 C 7.1448 1.2024 0.0 0
M  V30 3 N 6.1667 0.9945 0.0 0
M  V30 4 N 7.6448 0.3364 0.0 0
M  V30 5 C 6.0621 0.0 0.0 0
M  V30 6 C 6.9757 -0.4067 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 O 5.1961 -1.4999 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 1.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 O 0.866 1.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 N -0.9135 -0.0932 0.0 0
M  V30 18 C -0.1045 -1.4945 0.0 0
M  V30 19 C -1.5826 -0.8364 0.0 0
M  V30 20 C -1.0826 -1.7024 0.0 0
M  V30 21 C -2.5608 -1.0443 0.0 0
M  V30 22 O -1.7518 -2.4455 0.0 0
M  V30 23 C -2.6653 -2.0388 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 16 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 2 5 6
M  V30 24 2 19 20
M  V30 25 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001387093185

>  <name>
NA

>  <smiles>
CC(CNC(O)c1c[nH]c(=O)[nH]1)NC(=O)c1cc2occc2[nH]1

$$$$
ZINC001531319969
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 8.6393 0.2318 0.0 0
M  V30 2 C 7.6448 0.3364 0.0 0
M  V30 3 C 7.1448 1.2024 0.0 0
M  V30 4 C 6.9757 -0.4067 0.0 0
M  V30 5 N 6.1667 0.9945 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 O 5.1961 -1.4999 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0 CFG=1
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 1.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 1.732 1.5 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.9135 -0.0932 0.0 0
M  V30 19 C -0.1045 -1.4945 0.0 0
M  V30 20 C -1.5826 -0.8364 0.0 0
M  V30 21 C -1.0826 -1.7024 0.0 0
M  V30 22 C -2.5608 -1.0443 0.0 0
M  V30 23 O -1.7518 -2.4455 0.0 0
M  V30 24 C -2.6653 -2.0388 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 11 10
M  V30 11 1 11 12 CFG=1
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 1 5 6
M  V30 25 2 20 21
M  V30 26 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001531319969

>  <name>
NA

>  <smiles>
CCC(CNC(=O)c1cc(F)c[nH]1)NC(=O)c1cc2occc2[nH]1

$$$$
ZINC001493453031
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.0621 0.0 0.0 0
M  V30 2 C 5.1961 -0.5 0.0 0
M  V30 3 N 4.3301 0.0 0.0 0
M  V30 4 C 5.1961 -1.4999 0.0 0
M  V30 5 C 3.4641 -0.5 0.0 0
M  V30 6 O 4.3871 -2.0877 0.0 0
M  V30 7 C 6.0051 -2.0877 0.0 0
M  V30 8 C 2.598 0.0 0.0 0 CFG=2
M  V30 9 C 4.6961 -3.0388 0.0 0
M  V30 10 C 5.6961 -3.0388 0.0 0
M  V30 11 N 1.732 -0.5 0.0 0
M  V30 12 C 2.598 1.0 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 C 3.098 1.866 0.0 0
M  V30 15 C 2.098 1.866 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.9135 -0.0932 0.0 0
M  V30 19 C -0.1045 -1.4945 0.0 0
M  V30 20 C -1.5826 -0.8364 0.0 0
M  V30 21 C -1.0826 -1.7024 0.0 0
M  V30 22 C -2.5608 -1.0443 0.0 0
M  V30 23 O -1.7518 -2.4455 0.0 0
M  V30 24 C -2.6653 -2.0388 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 2 4 7
M  V30 7 1 8 5
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 1 8 11 CFG=3
M  V30 11 1 8 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 2 9 10
M  V30 25 1 14 15
M  V30 26 2 20 21
M  V30 27 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001493453031

>  <name>
NA

>  <smiles>
O=C(NCC(NC(=O)c1cc2occc2[nH]1)C1CC1)c1ccco1

$$$$
ZINC001420045037
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 21 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 2.4999 0.0 0
M  V30 2 C 5.1961 1.4999 0.0 0
M  V30 3 N 4.3301 1.0 0.0 0
M  V30 4 C 6.0621 0.9999 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0
M  V30 9 N 2.598 0.0 0.0 0
M  V30 10 C 1.732 -0.5 0.0 0
M  V30 11 C 2.598 1.0 0.0 0
M  V30 12 O 1.732 -1.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 N 0.0 -0.5 0.0 0
M  V30 15 C -0.9135 -0.0932 0.0 0
M  V30 16 C -0.1045 -1.4945 0.0 0
M  V30 17 O -1.1214 0.8848 0.0 0
M  V30 18 N -1.5826 -0.8364 0.0 0
M  V30 19 O 0.6386 -2.1636 0.0 0
M  V30 20 N -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 2 10 12
M  V30 12 1 10 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 1 16 20
M  V30 20 1 6 7
M  V30 21 1 18 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001420045037

>  <name>
NA

>  <smiles>
CN(Cc1cccc(=O)[nH]1)C(=O)Cn1c(=O)[nH][nH]c1=O

$$$$
ZINC001086194855
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.3657 -3.4249 0.0 0
M  V30 2 C 4.9535 -2.6159 0.0 0
M  V30 3 F 5.948 -2.7205 0.0 0
M  V30 4 C 4.5467 -1.7024 0.0 0
M  V30 5 N 5.0467 -0.8364 0.0 0
M  V30 6 C 3.5686 -1.4945 0.0 0
M  V30 7 N 4.3776 -0.0932 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0
M  V30 9 C 2.598 0.0 0.0 0
M  V30 10 O 2.598 1.0 0.0 0
M  V30 11 N 1.732 -0.5 0.0 0
M  V30 12 C 0.866 0.0 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0
M  V30 14 C -0.9659 -0.2411 0.0 0
M  V30 15 C -0.2588 -1.4659 0.0 0
M  V30 16 C -1.2247 -1.2071 0.0 0
M  V30 17 N -2.0907 -1.7071 0.0 0
M  V30 18 C -2.0907 -2.7071 0.0 0
M  V30 19 C -2.9567 -3.2071 0.0 0
M  V30 20 O -3.8228 -2.7071 0.0 0
M  V30 21 N -2.9567 -4.2071 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 4 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 2 7 8
M  V30 22 1 15 16
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001086194855

>  <name>
NA

>  <smiles>
NC(=O)CNC1CC(CNC(=O)c2cc([nH]n2)C(F)F)C1

$$$$
ZINC001434489799
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 1.598 1.0 0.0 0
M  V30 2 C 2.598 1.0 0.0 0
M  V30 3 F 2.598 2.0 0.0 0
M  V30 4 F 3.598 1.0 0.0 0
M  V30 5 C 2.598 0.0 0.0 0 CFG=1
M  V30 6 N 3.4641 -0.5 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 C 0.866 0.0 0.0 0
M  V30 10 C 5.1961 -0.5 0.0 0
M  V30 11 O 0.0 -0.5 0.0 0
M  V30 12 N 5.1961 -1.5 0.0 0
M  V30 13 C 6.0621 0.0 0.0 0
M  V30 14 C 6.0621 -2.0 0.0 0
M  V30 15 C 6.9282 -0.5 0.0 0
M  V30 16 N 6.27 -2.9781 0.0 0
M  V30 17 N 6.9282 -1.5 0.0 0
M  V30 18 O 7.7942 0.0 0.0 0
M  V30 19 C 7.2646 -3.0826 0.0 0
M  V30 20 N 7.6713 -2.1691 0.0 0
M  V30 21 N 7.7646 -3.9487 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 2
M  V30 5 1 5 6 CFG=1
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 2 10 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 2 19 21
M  V30 21 1 15 17
M  V30 22 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001434489799

>  <name>
NA

>  <smiles>
OCCC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)C(F)(F)F

$$$$
ZINC001413806815
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.0621 0.9999 0.0 0
M  V30 2 C 5.1961 1.4999 0.0 0
M  V30 3 C 4.3301 0.9999 0.0 0
M  V30 4 C 5.1961 2.4999 0.0 0
M  V30 5 C 3.4641 1.5 0.0 0
M  V30 6 C 4.3301 0.0 0.0 0
M  V30 7 C 4.3301 2.9999 0.0 0
M  V30 8 C 3.4641 2.5 0.0 0
M  V30 9 N 3.4641 -0.5 0.0 0
M  V30 10 C 5.1961 -0.5 0.0 0
M  V30 11 F 4.3301 3.9999 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 O 6.0621 0.0 0.0 0
M  V30 14 O 2.598 1.0 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 0.866 1.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 C 1.732 1.4999 0.0 0
M  V30 20 C 0.0 1.4999 0.0 0
M  V30 21 C 1.732 2.5 0.0 0
M  V30 22 C 0.0 2.5 0.0 0
M  V30 23 O 2.598 3.0 0.0 0
M  V30 24 C 0.866 3.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 21 23
M  V30 23 2 21 24
M  V30 24 1 7 8
M  V30 25 1 22 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001413806815

>  <name>
NA

>  <smiles>
CC(NC(=O)NC(CO)c1ccc(F)cc1F)c1cccc(O)c1

$$$$
ZINC001651155164
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 19 20 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 3.5686 -1.4945 0.0 0
M  V30 2 C 4.5467 -1.7024 0.0 0
M  V30 3 C 3.4641 -0.5 0.0 0
M  V30 4 N 4.9535 -2.6159 0.0 0
M  V30 5 N 5.0467 -0.8364 0.0 0
M  V30 6 C 4.3776 -0.0932 0.0 0
M  V30 7 C 2.598 0.0 0.0 0
M  V30 8 O 4.5855 0.8848 0.0 0
M  V30 9 C 1.732 -0.5 0.0 0
M  V30 10 O 1.732 -1.5 0.0 0
M  V30 11 N 0.866 0.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C -0.866 0.0 0.0 0
M  V30 14 C 0.0 -1.4999 0.0 0
M  V30 15 O -0.866 1.0 0.0 0
M  V30 16 C -1.732 -0.4999 0.0 0
M  V30 17 C -0.866 -1.9999 0.0 0
M  V30 18 C -1.732 -1.4999 0.0 0
M  V30 19 O -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 3 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 2 16 18
M  V30 18 1 18 19
M  V30 19 1 5 6
M  V30 20 1 17 18
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001651155164

>  <name>
NA

>  <smiles>
Oc1[nH]c(=N)sc1CC(=O)Nc1ccc(O)cc1O

$$$$
ZINC000800528580
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 5.1961 -3.5 0.0 0
M  V30 2 C 4.3301 -3.0 0.0 0
M  V30 3 C 4.3301 -2.0 0.0 0
M  V30 4 C 3.4641 -3.5 0.0 0
M  V30 5 C 3.4641 -1.5 0.0 0
M  V30 6 C 2.598 -3.0 0.0 0
M  V30 7 C 2.598 -2.0 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 9 O 3.4641 0.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 C 4.3301 0.0 0.0 0
M  V30 12 O 2.598 1.0 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 5.1961 -0.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 N -0.866 0.0 0.0 0
M  V30 18 C 0.0 -1.4999 0.0 0
M  V30 19 C -1.732 -0.4999 0.0 0
M  V30 20 C -0.866 -1.9999 0.0 0
M  V30 21 O -2.598 0.0 0.0 0
M  V30 22 C -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 5
M  V30 8 1 8 9 CFG=3
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 2 10 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 6 7
M  V30 23 2 20 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000800528580

>  <name>
NA

>  <smiles>
CCC(O)(C(=O)NCc1cccc(=O)[nH]1)c1cccc(Cl)c1

$$$$
ZINC001363246144
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.8971 -4.5 0.0 0
M  V30 2 C 3.8971 -3.0 0.0 0
M  V30 3 N 5.1961 -2.25 0.0 0
M  V30 4 C 2.598 -2.25 0.0 0
M  V30 5 N 6.6227 -2.7135 0.0 0
M  V30 6 C 5.1961 -0.75 0.0 0
M  V30 7 C 2.598 -0.75 0.0 0
M  V30 8 C 7.5044 -1.5 0.0 0
M  V30 9 N 6.6227 -0.2864 0.0 0
M  V30 10 N 3.8971 0.0 0.0 0
M  V30 11 C 1.299 0.0 0.0 0
M  V30 12 N 9.0044 -1.5 0.0 0
M  V30 13 N 0.0 -0.75 0.0 0
M  V30 14 C -1.2393 0.0949 0.0 0
M  V30 15 C 0.112 -2.2458 0.0 0
M  V30 16 C -2.6727 -0.3471 0.0 0
M  V30 17 C -0.9874 -3.266 0.0 0
M  V30 18 C -3.2207 -1.7434 0.0 0
M  V30 19 C -3.0064 1.1152 0.0 0
M  V30 20 C -4.106 0.0949 0.0 0
M  V30 21 C -2.4707 -3.0425 0.0 0 CFG=1
M  V30 22 O -3.3157 -4.2818 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 1 16 20
M  V30 20 1 21 17
M  V30 21 1 21 22 CFG=3
M  V30 22 1 7 10
M  V30 23 1 8 9
M  V30 24 1 18 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 21)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001363246144

>  <name>
NA

>  <smiles>
CC1(C)CC(O)CCN(Cc2cc(=O)n3[nH]c(=N)nc3[nH]2)C1

$$$$
ZINC001321191827
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 19.4296 -1.5664 0.0 0
M  V30 2 C 17.9624 -1.2546 0.0 0
M  V30 3 C 19.5864 -3.0582 0.0 0
M  V30 4 N 16.9587 -0.1398 0.0 0
M  V30 5 C 17.2124 -2.5536 0.0 0
M  V30 6 C 18.2161 -3.6683 0.0 0
M  V30 7 C 15.5884 -0.75 0.0 0
M  V30 8 C 15.7452 -2.2417 0.0 0
M  V30 9 C 14.2894 0.0 0.0 0
M  V30 10 O 14.2894 1.5 0.0 0
M  V30 11 N 12.9903 -0.75 0.0 0
M  V30 12 C 11.6913 0.0 0.0 0
M  V30 13 C 10.3923 -0.75 0.0 0
M  V30 14 C 9.0932 0.0 0.0 0
M  V30 15 C 7.7942 -0.75 0.0 0
M  V30 16 N 6.4951 0.0 0.0 0
M  V30 17 C 5.1961 -0.75 0.0 0
M  V30 18 C 3.8971 0.0 0.0 0
M  V30 19 O 3.8971 1.5 0.0 0
M  V30 20 N 2.598 -0.75 0.0 0
M  V30 21 C 1.299 0.0 0.0 0
M  V30 22 O 1.299 1.5 0.0 0
M  V30 23 N 0.0 -0.75 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 2 4
M  V30 4 2 2 5
M  V30 5 2 3 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 2 13 14 CFG=2
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 2 21 22
M  V30 22 1 21 23
M  V30 23 1 5 6
M  V30 24 2 7 8
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001321191827

>  <name>
NA

>  <smiles>
NC(=O)NC(=O)CNCC=CCNC(=O)c1cc2ccsc2[nH]1

$$$$
ZINC001447878055
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 7.8139 1.9455 0.0 0
M  V30 2 C 7.1448 1.2024 0.0 0
M  V30 3 C 8.7275 1.5388 0.0 0
M  V30 4 C 7.6448 0.3364 0.0 0
M  V30 5 C 6.1667 0.9945 0.0 0
M  V30 6 C 8.623 0.5443 0.0 0
M  V30 7 N 6.9757 -0.4067 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 C 5.1961 -0.5 0.0 0
M  V30 10 O 5.1961 -1.4999 0.0 0
M  V30 11 N 4.3301 0.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 C 3.4641 -1.5 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 O 0.866 1.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 C -0.866 0.0 0.0 0
M  V30 20 C 0.0 -1.4999 0.0 0
M  V30 21 C -1.732 -0.4999 0.0 0
M  V30 22 C -0.866 -1.9999 0.0 0
M  V30 23 O -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 4 7
M  V30 7 2 5 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 12 11 CFG=1
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 4 6
M  V30 24 1 7 8
M  V30 25 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001447878055

>  <name>
NA

>  <smiles>
CC(CNC(=O)C1=CCOCC1)NC(=O)c1cc2sccc2[nH]1

$$$$
ZINC000620350087
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.4641 4.4999 0.0 0
M  V30 2 C 2.598 3.9999 0.0 0
M  V30 3 N 2.598 3.0 0.0 0
M  V30 4 C 1.732 4.4999 0.0 0
M  V30 5 C 1.732 2.4999 0.0 0 CFG=2
M  V30 6 C 0.866 4.0 0.0 0
M  V30 7 C 0.866 2.9999 0.0 0
M  V30 8 C 1.732 1.4999 0.0 0
M  V30 9 C 0.866 0.9999 0.0 0
M  V30 10 O 0.0 1.5 0.0 0
M  V30 11 N 0.866 0.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C 0.7933 -1.1087 0.0 0
M  V30 14 C -0.9659 -0.2411 0.0 0
M  V30 15 C -0.2588 -1.4659 0.0 0
M  V30 16 C 0.6628 -2.1002 0.0 0
M  V30 17 C 1.7172 -0.726 0.0 0
M  V30 18 C -1.2247 -1.2071 0.0 0
M  V30 19 C 1.4561 -2.7089 0.0 0
M  V30 20 C 2.5105 -1.3348 0.0 0
M  V30 21 O 1.3256 -3.7004 0.0 0
M  V30 22 C 2.38 -2.3262 0.0 0
M  V30 23 C 2.119 -4.3091 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 3
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8 CFG=1
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 14 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 19 21
M  V30 21 2 19 22
M  V30 22 1 21 23
M  V30 23 1 6 7
M  V30 24 1 15 18
M  V30 25 1 20 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000620350087

>  <name>
NA

>  <smiles>
COc1cccc(c1)C1(CCC1)NC(=O)CC1CCCC(=O)N1

$$$$
ZINC000347666650
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 2.9999 0.0 0
M  V30 2 C 6.9282 2.4999 0.0 0
M  V30 3 N 6.0621 3.0 0.0 0
M  V30 4 C 6.9282 1.4999 0.0 0
M  V30 5 C 6.0621 0.9999 0.0 0
M  V30 6 C 7.7942 0.9999 0.0 0
M  V30 7 C 6.0621 0.0 0.0 0
M  V30 8 C 7.7942 0.0 0.0 0
M  V30 9 N 5.1961 -0.5 0.0 0
M  V30 10 C 6.9282 -0.5 0.0 0
M  V30 11 C 4.3301 0.0 0.0 0
M  V30 12 N 6.9282 -1.5 0.0 0
M  V30 13 O 4.3301 1.0 0.0 0
M  V30 14 C 3.4641 -0.5 0.0 0
M  V30 15 C 6.0621 -2.0 0.0 0
M  V30 16 C 7.7942 -2.0 0.0 0
M  V30 17 N 2.598 0.0 0.0 0
M  V30 18 C 6.0621 -3.0 0.0 0
M  V30 19 C 7.7942 -3.0 0.0 0
M  V30 20 C 1.732 -0.5 0.0 0
M  V30 21 C 6.9282 -3.5 0.0 0
M  V30 22 O 1.732 -1.5 0.0 0
M  V30 23 C 0.866 0.0 0.0 0
M  V30 24 N 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 2 4 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 2 6 8
M  V30 8 1 7 9
M  V30 9 2 7 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 2 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 12 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 8 10
M  V30 25 1 19 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000347666650

>  <name>
NA

>  <smiles>
NCC(=O)NCC(=O)Nc1cc(ccc1N1CCCCC1)C(N)=O

$$$$
ZINC000423871730
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 1.732 -0.5 0.0 0
M  V30 2 C 0.866 0.0 0.0 0
M  V30 3 N 0.866 1.0 0.0 0
M  V30 4 C 0.0 -0.5 0.0 0
M  V30 5 C 1.675 1.5877 0.0 0
M  V30 6 C 0.057 1.5877 0.0 0
M  V30 7 C -0.866 0.0 0.0 0
M  V30 8 C 0.0 -1.4999 0.0 0
M  V30 9 C 1.366 2.5388 0.0 0 CFG=2
M  V30 10 C 0.366 2.5388 0.0 0
M  V30 11 C -1.732 -0.4999 0.0 0
M  V30 12 C -0.866 -1.9999 0.0 0
M  V30 13 C 1.9538 3.3478 0.0 0
M  V30 14 N -1.732 -1.4999 0.0 0
M  V30 15 C -2.598 0.0 0.0 0
M  V30 16 C 2.9483 3.2433 0.0 0
M  V30 17 C 1.547 4.2614 0.0 0
M  V30 18 N -3.4641 -0.4999 0.0 0
M  V30 19 C 3.5361 4.0523 0.0 0
M  V30 20 C 2.1348 5.0704 0.0 0
M  V30 21 C 3.1293 4.9658 0.0 0
M  V30 22 C 4.5306 3.9478 0.0 0
M  V30 23 C 1.7281 5.9839 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 4 8
M  V30 8 1 9 5
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 9 13 CFG=3
M  V30 13 2 11 14
M  V30 14 1 11 15
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 9 10
M  V30 24 1 12 14
M  V30 25 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000423871730

>  <name>
NA

>  <smiles>
Cc1cc(C)cc(c1)C1CCN(C1)C(=O)c1ccnc(CN)c1

$$$$
ZINC000344117466
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.8971 -9.0 0.0 0
M  V30 2 C 3.8971 -7.5 0.0 0
M  V30 3 C 5.1961 -6.75 0.0 0
M  V30 4 C 2.598 -6.75 0.0 0
M  V30 5 C 5.1961 -5.25 0.0 0
M  V30 6 C 6.4951 -7.5 0.0 0
M  V30 7 C 2.598 -5.2499 0.0 0
M  V30 8 C 3.8971 -4.5 0.0 0
M  V30 9 C 3.8971 -3.0 0.0 0 CFG=1
M  V30 10 O 5.1961 -2.25 0.0 0
M  V30 11 C 2.598 -2.25 0.0 0
M  V30 12 C 5.1961 -0.75 0.0 0
M  V30 13 N 2.598 -0.75 0.0 0
M  V30 14 C 3.8971 0.0 0.0 0
M  V30 15 C 1.299 0.0 0.0 0
M  V30 16 O 1.299 1.5 0.0 0
M  V30 17 C 0.0 -0.75 0.0 0
M  V30 18 C -1.299 0.0 0.0 0
M  V30 19 C 0.0 -2.2499 0.0 0
M  V30 20 C -2.598 -0.7499 0.0 0
M  V30 21 C -1.299 -2.9999 0.0 0
M  V30 22 N -2.598 -2.2499 0.0 0
M  V30 23 C -3.8971 0.0 0.0 0
M  V30 24 N -5.1961 -0.7499 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 9 8 CFG=3
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 7 8
M  V30 25 1 13 14
M  V30 26 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000344117466

>  <name>
NA

>  <smiles>
Cc1cc(ccc1F)C1CN(CCO1)C(=O)c1ccnc(CN)c1

$$$$
ZINC000621296381
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.7499 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 N 7.6099 2.5036 0.0 0
M  V30 6 C 5.1961 2.25 0.0 0
M  V30 7 C 3.8971 0.0 0.0 0
M  V30 8 C 6.9998 3.874 0.0 0
M  V30 9 N 5.508 3.7172 0.0 0
M  V30 10 N 3.8971 1.5 0.0 0
M  V30 11 C 2.598 -0.75 0.0 0
M  V30 12 N 7.7498 5.173 0.0 0
M  V30 13 N 1.299 0.0 0.0 0
M  V30 14 C 1.299 1.5 0.0 0
M  V30 15 C 0.0 -0.75 0.0 0
M  V30 16 C 0.0 2.2499 0.0 0
M  V30 17 C 2.598 2.25 0.0 0
M  V30 18 C 0.0 3.75 0.0 0
M  V30 19 C -1.299 1.4999 0.0 0
M  V30 20 C 2.598 3.75 0.0 0
M  V30 21 C 1.299 4.5 0.0 0
M  V30 22 C -1.299 0.0 0.0 0
M  V30 23 C -2.598 2.2499 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 19 23
M  V30 23 1 7 10
M  V30 24 1 8 9
M  V30 25 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000621296381

>  <name>
NA

>  <smiles>
CC(C)c1ccccc1N(C)Cc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC001362111980
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 5.8295 -2.981 0.0 0
M  V30 2 C 4.8785 -2.672 0.0 0
M  V30 3 C 4.6705 -1.6939 0.0 0
M  V30 4 C 4.1353 -3.3411 0.0 0
M  V30 5 C 3.7195 -1.3848 0.0 0
M  V30 6 C 3.1843 -3.0321 0.0 0
M  V30 7 N 3.5116 -0.4067 0.0 0
M  V30 8 C 2.9763 -2.054 0.0 0
M  V30 9 N 4.1807 0.3364 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 C 3.6807 1.2024 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.7026 0.9945 0.0 0
M  V30 14 C 4.0874 2.1159 0.0 0
M  V30 15 C 0.866 0.0 0.0 0 CFG=1
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 O -2.598 0.0 0.0 0
M  V30 23 N -1.732 -1.4999 0.0 0
M  V30 24 O -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 7 10
M  V30 10 1 9 11
M  V30 11 2 10 12 CFG=2
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 1 15 12
M  V30 15 1 15 16 CFG=3
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 2 21 24
M  V30 24 1 6 8
M  V30 25 2 11 13
M  V30 26 1 21 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 15)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001362111980

>  <name>
NA

>  <smiles>
Cc1cc(=NC(O)c2cc(=O)[nH]c(=O)[nH]2)n([nH]1)-c1cccc(Cl)c1

$$$$
ZINC001334649742
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 3.8971 6.0 0.0 0
M  V30 2 C 3.8971 4.5 0.0 0
M  V30 3 C 2.598 3.75 0.0 0
M  V30 4 C 5.1961 3.75 0.0 0
M  V30 5 C 2.598 2.25 0.0 0
M  V30 6 C 5.1961 2.25 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 3.8971 0.0 0.0 0 CFG=1
M  V30 9 N 5.1961 -0.75 0.0 0
M  V30 10 C 2.598 -0.75 0.0 0
M  V30 11 C 6.4951 0.0 0.0 0
M  V30 12 O 1.299 0.0 0.0 0
M  V30 13 C 7.7942 -0.75 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 N 7.7942 -2.25 0.0 0
M  V30 16 C 9.0932 0.0 0.0 0
M  V30 17 C 9.0932 -3.0 0.0 0
M  V30 18 C 10.3923 -0.75 0.0 0
M  V30 19 N 9.4051 -4.4672 0.0 0
M  V30 20 N 10.3923 -2.25 0.0 0
M  V30 21 O 11.6913 0.0 0.0 0
M  V30 22 C 10.8969 -4.624 0.0 0
M  V30 23 N 11.507 -3.2536 0.0 0
M  V30 24 N 11.6469 -5.923 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 7
M  V30 8 1 8 9 CFG=1
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 13 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 22 24
M  V30 24 1 6 7
M  V30 25 1 18 20
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001334649742

>  <name>
NA

>  <smiles>
COCC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccc(Cl)cc1

$$$$
ZINC000036787926
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 3.672 2.4781 0.0 0
M  V30 2 C 3.4641 1.5 0.0 0
M  V30 3 C 4.6665 2.5826 0.0 0
M  V30 4 N 2.598 1.0 0.0 0
M  V30 5 C 4.3301 1.0 0.0 0
M  V30 6 C 5.0732 1.6691 0.0 0
M  V30 7 C 2.598 0.0 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 S 1.732 -0.5 0.0 0
M  V30 10 N 3.4641 -0.4999 0.0 0
M  V30 11 O 5.1961 -0.5 0.0 0
M  V30 12 C 0.866 0.0 0.0 0
M  V30 13 C 3.4641 -1.5 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0
M  V30 15 C -0.866 0.0 0.0 0
M  V30 16 C 0.0 -1.4999 0.0 0
M  V30 17 C -1.732 -0.4999 0.0 0
M  V30 18 C -0.866 -1.9999 0.0 0
M  V30 19 C -1.732 -1.4999 0.0 0
M  V30 20 C -2.598 0.0 0.0 0
M  V30 21 F -3.098 -0.866 0.0 0
M  V30 22 F -3.4641 0.5 0.0 0
M  V30 23 F -2.098 0.866 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 2 4
M  V30 4 2 2 5
M  V30 5 2 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 1 7 10
M  V30 10 2 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 12 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 1 20 23
M  V30 23 1 5 6
M  V30 24 1 8 10
M  V30 25 1 18 19
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000036787926

>  <name>
NA

>  <smiles>
Cn1c(SCc2cccc(c2)C(F)(F)F)nc2sccc2c1=O

$$$$
ZINC000883234740
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 1.5 0.0 0
M  V30 2 C 4.3301 1.0 0.0 0
M  V30 3 N 3.4641 1.5 0.0 0
M  V30 4 N 4.3301 0.0 0.0 0
M  V30 5 C 2.598 0.9999 0.0 0
M  V30 6 C 3.4641 2.5 0.0 0
M  V30 7 C 3.4641 -0.4999 0.0 0
M  V30 8 C 5.1961 -0.4999 0.0 0
M  V30 9 O 1.732 1.4999 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0
M  V30 12 N 0.866 0.0 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0
M  V30 14 C -0.1305 0.4914 0.0 0
M  V30 15 C -0.2588 -1.4659 0.0 0
M  V30 16 C -0.9659 -0.2411 0.0 0
M  V30 17 C -1.0544 0.8741 0.0 0
M  V30 18 C 0.6628 1.1002 0.0 0
M  V30 19 C -1.2247 -1.2071 0.0 0
M  V30 20 C -1.1849 1.8655 0.0 0
M  V30 21 C 0.5323 2.0916 0.0 0
M  V30 22 O -2.0907 -1.7071 0.0 0
M  V30 23 C -0.3915 2.4743 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 2 5 9
M  V30 9 1 5 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 2 7 10
M  V30 24 1 16 19
M  V30 25 1 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000883234740

>  <name>
NA

>  <smiles>
Cn1cc(CNC2(CC(O)C2)c2ccccc2)c(=O)n(C)c1=O

$$$$
ZINC000429495070
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.9535 -2.6159 0.0 0
M  V30 2 C 4.5467 -1.7024 0.0 0
M  V30 3 N 5.0467 -0.8364 0.0 0
M  V30 4 C 3.5686 -1.4945 0.0 0
M  V30 5 C 4.3776 -0.0932 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 7 N 2.598 0.0 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 O 1.732 -1.5 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 N -0.9135 -0.0932 0.0 0
M  V30 13 C -0.1045 -1.4945 0.0 0
M  V30 14 N -1.5826 -0.8364 0.0 0
M  V30 15 C -1.1214 0.8848 0.0 0
M  V30 16 C -1.0826 -1.7024 0.0 0
M  V30 17 C -0.3783 1.554 0.0 0
M  V30 18 C -2.0725 1.1939 0.0 0
M  V30 19 C -1.4894 -2.6159 0.0 0
M  V30 20 C -0.5862 2.5321 0.0 0
M  V30 21 C -2.2804 2.172 0.0 0
M  V30 22 C -2.2984 -3.2037 0.0 0
M  V30 23 C -1.3848 -3.6105 0.0 0
M  V30 24 C -1.5372 2.8411 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 1 6 7 CFG=3
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 2 10 11 CFG=2
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 19 23
M  V30 23 2 20 24
M  V30 24 1 5 6
M  V30 25 1 14 16
M  V30 26 1 21 24
M  V30 27 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000429495070

>  <name>
NA

>  <smiles>
O=C(NC1CNC(=O)C1)N=c1cc([nH]n1-c1ccccc1)C1CC1

$$$$
ZINC000818609814
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 4.3301 -4.9999 0.0 0
M  V30 2 C 3.4641 -4.5 0.0 0
M  V30 3 C 3.4641 -3.5 0.0 0
M  V30 4 C 2.598 -5.0 0.0 0
M  V30 5 C 2.598 -3.0 0.0 0
M  V30 6 C 1.732 -4.4999 0.0 0
M  V30 7 C 1.732 -3.5 0.0 0
M  V30 8 C 2.598 -2.0 0.0 0
M  V30 9 O 3.4641 -1.5 0.0 0
M  V30 10 C 1.732 -1.5 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 2.598 1.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 C -1.732 -1.4999 0.0 0
M  V30 23 C -2.598 0.0 0.0 0
M  V30 24 N -3.4641 -0.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 6 7
M  V30 25 1 12 13
M  V30 26 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000818609814

>  <name>
NA

>  <smiles>
CC1COC(CN1C(=O)c1cccc(CN)c1)c1cccc(Cl)c1

$$$$
ZINC001434001394
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 5.3301 -3.0 0.0 0
M  V30 2 C 4.3301 -2.9999 0.0 0
M  V30 3 F 4.3301 -3.9999 0.0 0
M  V30 4 F 3.3301 -2.9999 0.0 0
M  V30 5 C 4.3301 -1.9999 0.0 0
M  V30 6 N 5.1961 -1.5 0.0 0
M  V30 7 C 3.4641 -1.5 0.0 0
M  V30 8 C 5.1961 -0.5 0.0 0
M  V30 9 C 3.4641 -0.5 0.0 0
M  V30 10 C 4.3301 0.0 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 O 0.866 1.0 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 C -0.866 0.0 0.0 0
M  V30 17 C 0.0 -1.4999 0.0 0
M  V30 18 N -1.732 -0.4999 0.0 0
M  V30 19 C -0.866 1.0 0.0 0
M  V30 20 C -0.866 -1.9999 0.0 0
M  V30 21 C -1.732 -1.4999 0.0 0
M  V30 22 O -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 2 21 22
M  V30 22 1 9 10
M  V30 23 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001434001394

>  <name>
NA

>  <smiles>
Cc1[nH]c(=O)ccc1C(=O)NCc1ccnc(c1)C(F)(F)F

$$$$
ZINC001167496180
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 4.3301 -2.9999 0.0 0
M  V30 2 C 4.3301 -1.9999 0.0 0
M  V30 3 C 5.1961 -1.4999 0.0 0
M  V30 4 C 3.4641 -1.4999 0.0 0
M  V30 5 N 6.1472 -1.809 0.0 0
M  V30 6 N 5.1961 -0.4999 0.0 0
M  V30 7 C 3.4641 -0.5 0.0 0
M  V30 8 C 6.7349 -0.9999 0.0 0
M  V30 9 C 6.1472 -0.1909 0.0 0
M  V30 10 C 4.3301 0.0 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 C 6.4562 0.76 0.0 0
M  V30 13 O 2.598 1.0 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 O 5.787 1.5032 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.9135 -0.0932 0.0 0
M  V30 19 N -0.1045 -1.4945 0.0 0
M  V30 20 N -1.5826 -0.8364 0.0 0
M  V30 21 C -1.0826 -1.7024 0.0 0
M  V30 22 C -1.4894 -2.6159 0.0 0
M  V30 23 O -0.9016 -3.4249 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 2 4
M  V30 4 2 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 9 12
M  V30 12 2 11 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 14 16
M  V30 16 1 16 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 2 7 10
M  V30 24 2 8 9
M  V30 25 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001167496180

>  <name>
NA

>  <smiles>
OCc1nc(CNC(=O)c2cc(Br)c3ncc(C=O)n3c2)n[nH]1

$$$$
ZINC001447147343
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 1.5 0.0 0
M  V30 2 C 4.3301 0.9999 0.0 0
M  V30 3 N 4.3301 0.0 0.0 0
M  V30 4 C 3.4641 1.4999 0.0 0
M  V30 5 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 6 N 2.5505 1.0932 0.0 0
M  V30 7 N 3.3595 2.4945 0.0 0
M  V30 8 C 3.4641 -1.5 0.0 0
M  V30 9 C 2.598 0.0 0.0 0
M  V30 10 N 1.8814 1.8364 0.0 0
M  V30 11 C 2.3814 2.7024 0.0 0
M  V30 12 C 2.9641 -2.366 0.0 0
M  V30 13 C 3.9641 -2.366 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.9135 -0.0932 0.0 0
M  V30 19 C -0.1045 -1.4945 0.0 0
M  V30 20 C -1.5826 -0.8364 0.0 0
M  V30 21 C -1.0826 -1.7024 0.0 0
M  V30 22 C -1.4894 -2.6159 0.0 0
M  V30 23 N -1.8961 -3.5295 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 3 CFG=3
M  V30 5 2 4 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 2 7 11
M  V30 11 1 8 12
M  V30 12 1 8 13
M  V30 13 1 9 14
M  V30 14 1 14 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 3 22 23
M  V30 23 1 10 11
M  V30 24 1 12 13
M  V30 25 2 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001447147343

>  <name>
NA

>  <smiles>
O=C(NCC(NC(=O)c1nc[nH]n1)C1CC1)c1cc(c[nH]1)C#N

$$$$
ZINC001221347844
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.9673 -2.4478 0.0 0
M  V30 2 C 5.2241 -1.7787 0.0 0
M  V30 3 N 5.432 -0.8006 0.0 0
M  V30 4 C 4.2731 -2.0877 0.0 0
M  V30 5 N 3.4641 -1.5 0.0 0
M  V30 6 C 3.9641 -3.0388 0.0 0
M  V30 7 C 3.4641 -0.5 0.0 0
M  V30 8 C 2.655 -2.0877 0.0 0
M  V30 9 C 2.9641 -3.0388 0.0 0
M  V30 10 O 4.3301 0.0 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 1.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 3.4641 1.5 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N 3.5686 2.4945 0.0 0
M  V30 19 C 4.3776 1.0932 0.0 0
M  V30 20 N -0.9659 -0.2411 0.0 0
M  V30 21 C -0.2588 -1.4659 0.0 0
M  V30 22 C 4.5467 2.7024 0.0 0
M  V30 23 N 5.0467 1.8364 0.0 0
M  V30 24 C -1.2247 -1.2071 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 4 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 2 7 10
M  V30 10 1 7 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 2 15 19
M  V30 19 1 17 20
M  V30 20 1 17 21
M  V30 21 2 18 22
M  V30 22 1 19 23
M  V30 23 1 20 24
M  V30 24 1 8 9
M  V30 25 1 21 24
M  V30 26 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001221347844

>  <name>
NA

>  <smiles>
NC(=O)C1CCCN1C(=O)C(Cc1c[nH]cn1)NC(=O)C1CCN1

$$$$
ZINC001465867741
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 3.4641 1.4999 0.0 0
M  V30 2 C 4.3301 1.0 0.0 0
M  V30 3 C 4.3301 0.0 0.0 0
M  V30 4 C 5.1961 1.5 0.0 0
M  V30 5 C 5.1961 -0.4999 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0
M  V30 7 C 6.0621 1.0 0.0 0
M  V30 8 F 5.1961 -1.4999 0.0 0
M  V30 9 C 6.0621 0.0 0.0 0
M  V30 10 O 3.4641 -1.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0 CFG=1
M  V30 14 O 0.866 1.0 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 C -0.866 0.0 0.0 0
M  V30 17 C 0.0 -1.4999 0.0 0
M  V30 18 N -1.0739 0.9781 0.0 0
M  V30 19 C -1.732 -0.4999 0.0 0
M  V30 20 C -0.866 -1.9999 0.0 0
M  V30 21 C -2.0684 1.0826 0.0 0
M  V30 22 N -1.732 -1.4999 0.0 0
M  V30 23 N -2.4751 0.1691 0.0 0
M  V30 24 O -2.5684 1.9487 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 5 9
M  V30 9 2 6 10
M  V30 10 1 6 11
M  V30 11 1 11 12
M  V30 12 1 13 12
M  V30 13 1 13 14 CFG=3
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 1 19 23
M  V30 23 2 21 24
M  V30 24 1 7 9
M  V30 25 1 20 22
M  V30 26 1 21 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001465867741

>  <name>
NA

>  <smiles>
OC(NCC(=O)c1c(F)cccc1Cl)c1ccnc2[nH]c(=O)[nH]c12

$$$$
ZINC000187648461
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.3301 -4.9999 0.0 0
M  V30 2 C 3.4641 -4.5 0.0 0
M  V30 3 C 3.4641 -3.5 0.0 0
M  V30 4 C 2.598 -5.0 0.0 0
M  V30 5 C 2.598 -3.0 0.0 0
M  V30 6 C 1.732 -4.4999 0.0 0
M  V30 7 C 1.732 -3.5 0.0 0
M  V30 8 C 2.598 -2.0 0.0 0 CFG=1
M  V30 9 O 3.4641 -1.5 0.0 0
M  V30 10 C 1.732 -1.5 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 O 0.866 1.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 C -0.9135 -0.0932 0.0 0
M  V30 18 C -0.1045 -1.4945 0.0 0
M  V30 19 O -1.5826 -0.8364 0.0 0
M  V30 20 C -1.0826 -1.7024 0.0 0
M  V30 21 C -1.4894 -2.6159 0.0 0
M  V30 22 N -0.9016 -3.4249 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 5 CFG=3
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 20 21
M  V30 21 1 21 22
M  V30 22 1 6 7
M  V30 23 1 12 13
M  V30 24 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000187648461

>  <name>
NA

>  <smiles>
NCc1cc(co1)C(=O)N1CCOC(C1)c1cccc(F)c1

$$$$
ZINC000498528484
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 0.0 0.0 0
M  V30 2 C 3.4641 -0.5 0.0 0
M  V30 3 N 2.598 0.0 0.0 0
M  V30 4 C 3.4641 -1.5 0.0 0
M  V30 5 C 1.732 -0.5 0.0 0
M  V30 6 C 2.598 -1.9999 0.0 0
M  V30 7 C 4.3301 -2.0 0.0 0
M  V30 8 C 0.866 0.0 0.0 0
M  V30 9 C 2.598 -2.9999 0.0 0
M  V30 10 C 4.3301 -3.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C 3.4641 -3.5 0.0 0
M  V30 13 C 1.732 -3.4999 0.0 0
M  V30 14 N -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 O 3.4641 -4.5 0.0 0
M  V30 17 C -1.5826 -0.8364 0.0 0
M  V30 18 C -1.0826 -1.7024 0.0 0
M  V30 19 C -2.5826 -0.8364 0.0 0
M  V30 20 C -1.5826 -2.5684 0.0 0
M  V30 21 C -3.0826 -1.7024 0.0 0
M  V30 22 C -2.5826 -2.5684 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 2 7 10
M  V30 10 1 8 11
M  V30 11 2 9 12
M  V30 12 1 9 13
M  V30 13 1 11 14
M  V30 14 2 11 15
M  V30 15 1 12 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 10 12
M  V30 23 2 17 18
M  V30 24 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000498528484

>  <name>
NA

>  <smiles>
Cc1cc(ccc1O)C(=O)NCCc1cc2ccccc2[nH]1

$$$$
ZINC001157221288
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1078 -2.5167 0.0 0
M  V30 2 C 4.7987 -1.5657 0.0 0
M  V30 3 C 3.8206 -1.3577 0.0 0
M  V30 4 C 5.4679 -0.8225 0.0 0
M  V30 5 C 3.5116 -0.4067 0.0 0
M  V30 6 C 5.1588 0.1284 0.0 0
M  V30 7 C 4.1807 0.3364 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 N 3.6807 1.2024 0.0 0
M  V30 10 C 2.7026 0.9945 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0
M  V30 12 C 4.0874 2.1159 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 N 5.082 2.2205 0.0 0
M  V30 15 C 3.4997 2.9249 0.0 0
M  V30 16 N 0.0 -0.5 0.0 0
M  V30 17 C 5.4887 3.134 0.0 0
M  V30 18 C 3.9064 3.8385 0.0 0
M  V30 19 C 4.9009 3.943 0.0 0
M  V30 20 N 3.3186 4.6475 0.0 0
M  V30 21 C 3.6276 5.5986 0.0 0
M  V30 22 C 2.3186 4.6475 0.0 0
M  V30 23 C 2.8186 6.1864 0.0 0
M  V30 24 C 2.0096 5.5986 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 11 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 6 7
M  V30 25 1 9 10
M  V30 26 1 18 19
M  V30 27 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001157221288

>  <name>
NA

>  <smiles>
NCCc1cn(-c2cc(ccn2)N2CCCC2)c2ccc(O)cc12

$$$$
ZINC000817625192
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.1312 3.1739 0.0 0
M  V30 2 C 5.5211 1.8036 0.0 0
M  V30 3 O 4.0539 1.4917 0.0 0
M  V30 4 C 6.2711 0.5046 0.0 0
M  V30 5 C 3.8971 0.0 0.0 0
M  V30 6 C 5.2674 -0.6101 0.0 0
M  V30 7 C 7.7383 0.1927 0.0 0
M  V30 8 C 2.598 -0.75 0.0 0
M  V30 9 C 5.7309 -2.0366 0.0 0
M  V30 10 C 8.2018 -1.2338 0.0 0
M  V30 11 C 1.299 0.0 0.0 0
M  V30 12 C 7.1981 -2.3485 0.0 0
M  V30 13 O 1.299 1.5 0.0 0
M  V30 14 N 0.0 -0.75 0.0 0
M  V30 15 C -1.299 0.0 0.0 0
M  V30 16 C 0.0 -2.25 0.0 0
M  V30 17 C -2.598 -0.75 0.0 0
M  V30 18 C -1.299 -3.0 0.0 0
M  V30 19 O -2.598 -2.25 0.0 0
M  V30 20 C -3.348 0.549 0.0 0
M  V30 21 C -4.098 -0.75 0.0 0
M  V30 22 C -1.299 -4.5 0.0 0
M  V30 23 O 0.0 -5.25 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 2 7 10
M  V30 10 1 8 11
M  V30 11 2 9 12
M  V30 12 2 11 13
M  V30 13 1 11 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 17 20
M  V30 20 1 17 21
M  V30 21 1 18 22
M  V30 22 1 22 23
M  V30 23 1 5 6
M  V30 24 1 10 12
M  V30 25 1 18 19
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000817625192

>  <name>
NA

>  <smiles>
CC1(C)CN(CC(CO)O1)C(=O)CC1OC(=O)c2ccccc12

$$$$
ZINC000826562432
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 3.4641 1.4999 0.0 0
M  V30 2 C 4.3301 1.0 0.0 0
M  V30 3 C 4.3301 0.0 0.0 0
M  V30 4 C 5.1961 1.5 0.0 0
M  V30 5 C 5.1961 -0.4999 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0
M  V30 7 C 6.0621 1.0 0.0 0
M  V30 8 F 5.1961 -1.4999 0.0 0
M  V30 9 C 6.0621 0.0 0.0 0
M  V30 10 O 3.4641 -1.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 1.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 O 0.866 1.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 N -0.9135 -0.0932 0.0 0
M  V30 18 C -0.1045 -1.4945 0.0 0
M  V30 19 C -1.5826 -0.8364 0.0 0
M  V30 20 C -1.0826 -1.7024 0.0 0
M  V30 21 C -2.5771 -0.7318 0.0 0
M  V30 22 F -2.6817 -1.7264 0.0 0
M  V30 23 F -3.5717 -0.6273 0.0 0
M  V30 24 F -2.4726 0.2626 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 5 9
M  V30 9 1 6 10
M  V30 10 1 6 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 16 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 1 21 23
M  V30 23 1 21 24
M  V30 24 1 7 9
M  V30 25 2 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000826562432

>  <name>
NA

>  <smiles>
CC(NC(=O)c1ccc([nH]1)C(F)(F)F)C(O)c1c(F)cccc1Cl

$$$$
ZINC001567143296
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 10.3923 2.2499 0.0 0
M  V30 2 C 9.0932 1.4999 0.0 0
M  V30 3 C 7.7942 2.2499 0.0 0
M  V30 4 C 9.0932 0.0 0.0 0
M  V30 5 F 7.7942 3.7499 0.0 0
M  V30 6 C 6.4951 1.5 0.0 0
M  V30 7 C 7.7942 -0.75 0.0 0
M  V30 8 C 6.4951 0.0 0.0 0
M  V30 9 C 5.1961 -0.75 0.0 0 CFG=1
M  V30 10 O 5.1961 -2.25 0.0 0
M  V30 11 C 3.8971 0.0 0.0 0
M  V30 12 N 2.598 -0.75 0.0 0
M  V30 13 C 1.299 0.0 0.0 0
M  V30 14 O 1.299 1.5 0.0 0
M  V30 15 C 0.0 -0.75 0.0 0
M  V30 16 C -1.299 0.0 0.0 0
M  V30 17 C 0.0 -2.2499 0.0 0
M  V30 18 N -2.598 -0.7499 0.0 0
M  V30 19 C -1.299 -2.9999 0.0 0
M  V30 20 C -4.0246 -0.2864 0.0 0
M  V30 21 C -2.598 -2.2499 0.0 0
M  V30 22 S -4.4881 1.1401 0.0 0
M  V30 23 N -4.9063 -1.4999 0.0 0
M  V30 24 N -4.0246 -2.7135 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 6 8
M  V30 8 1 9 8
M  V30 9 1 9 10 CFG=1
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 2 21 24
M  V30 24 1 7 8
M  V30 25 1 19 21
M  V30 26 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001567143296

>  <name>
NA

>  <smiles>
OC(CNC(=O)c1ccc2n[nH]c(=S)n2c1)c1ccc(Cl)c(F)c1

$$$$
ZINC001646985866
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 7.7942 2.25 0.0 0
M  V30 2 C 9.0932 1.5 0.0 0
M  V30 3 C 9.0932 0.0 0.0 0
M  V30 4 C 10.3923 2.25 0.0 0
M  V30 5 C 10.3923 -0.75 0.0 0
M  V30 6 C 7.7942 -0.75 0.0 0
M  V30 7 C 11.6913 1.5 0.0 0
M  V30 8 C 11.6913 0.0 0.0 0
M  V30 9 C 6.4951 0.0 0.0 0
M  V30 10 F 12.9903 -0.75 0.0 0
M  V30 11 O 6.4951 1.5 0.0 0
M  V30 12 N 5.1961 -0.75 0.0 0
M  V30 13 C 3.8971 0.0 0.0 0 CFG=2
M  V30 14 C 2.598 -0.75 0.0 0
M  V30 15 C 3.8971 1.5 0.0 0
M  V30 16 O 2.598 -2.25 0.0 0
M  V30 17 N 1.299 0.0 0.0 0
M  V30 18 C 2.598 2.25 0.0 0
M  V30 19 C 0.0 -0.75 0.0 0
M  V30 20 N 2.4412 3.7417 0.0 0
M  V30 21 C 1.2277 1.6398 0.0 0
M  V30 22 C 0.974 4.0536 0.0 0
M  V30 23 N 0.224 2.7546 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 13 12 CFG=3
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 18 21
M  V30 21 2 20 22
M  V30 22 1 21 23
M  V30 23 1 7 8
M  V30 24 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001646985866

>  <name>
NA

>  <smiles>
CNC(=O)C(Cc1c[nH]cn1)NC(=O)Cc1cc(F)ccc1F

$$$$
ZINC001210619809
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 3.4641 -0.5 0.0 0
M  V30 2 O 2.9641 -1.366 0.0 0
M  V30 3 O 3.9641 0.366 0.0 0
M  V30 4 N 2.598 0.0 0.0 0
M  V30 5 C 4.3301 -0.9999 0.0 0
M  V30 6 C 1.732 -0.5 0.0 0
M  V30 7 C 0.866 0.0 0.0 0
M  V30 8 N 0.0 -0.5 0.0 0
M  V30 9 C -0.9135 -0.0932 0.0 0
M  V30 10 C -0.1045 -1.4945 0.0 0
M  V30 11 C -1.5826 -0.8364 0.0 0
M  V30 12 C -1.0826 -1.7024 0.0 0
M  V30 13 N -2.5771 -0.7318 0.0 0
M  V30 14 C -1.4894 -2.6159 0.0 0
M  V30 15 C -3.1649 -1.5408 0.0 0
M  V30 16 O -2.7582 -2.4544 0.0 0
M  V30 17 C -4.1595 -1.4363 0.0 0
M  V30 18 N -4.7472 -2.2453 0.0 0
M  V30 19 C -5.7472 -2.2453 0.0 0
M  V30 20 C -4.4382 -3.1964 0.0 0
M  V30 21 O -6.335 -1.4363 0.0 0
M  V30 22 N -6.0563 -3.1964 0.0 0
M  V30 23 O -3.4872 -3.5054 0.0 0
M  V30 24 N -5.2472 -3.7842 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 2 1 3
M  V30 3 1 1 4
M  V30 4 1 1 5
M  V30 5 1 4 6
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 20 24
M  V30 24 1 11 12
M  V30 25 1 22 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001210619809

>  <name>
NA

>  <smiles>
CC1CN(CCNS(C)(=O)=O)CC1NC(=O)Cn1c(=O)[nH][nH]c1=O

$$$$
ZINC000439753844
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F -0.1046 -2.4972 0.0 0
M  V30 2 C 0.7863 -2.0432 0.0 0
M  V30 3 C 0.8386 -1.0446 0.0 0
M  V30 4 C 1.625 -2.5879 0.0 0
M  V30 5 C 1.7296 -0.5906 0.0 0
M  V30 6 C 0.0 -0.5 0.0 0
M  V30 7 C 2.516 -2.1339 0.0 0
M  V30 8 C 2.5683 -1.1352 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.9135 -0.0932 0.0 0
M  V30 11 C -0.1045 -1.4945 0.0 0
M  V30 12 F 3.3546 -2.6785 0.0 0
M  V30 13 C 0.866 0.9999 0.0 0
M  V30 14 C -1.5826 -0.8364 0.0 0
M  V30 15 C -1.0826 -1.7024 0.0 0
M  V30 16 O 1.732 1.4999 0.0 0
M  V30 17 C 0.0 1.5 0.0 0
M  V30 18 C 0.0 2.5 0.0 0
M  V30 19 C -0.866 1.0 0.0 0
M  V30 20 C -0.866 3.0 0.0 0
M  V30 21 C -1.732 1.5 0.0 0
M  V30 22 O -0.866 4.0 0.0 0
M  V30 23 C -1.732 2.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 6 11
M  V30 11 1 7 12
M  V30 12 1 9 13
M  V30 13 1 10 14
M  V30 14 1 11 15
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 20 23
M  V30 23 1 7 8
M  V30 24 1 14 15
M  V30 25 1 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000439753844

>  <name>
NA

>  <smiles>
OC1CCCC(C1)C(=O)NC1(CCCC1)c1ccc(F)cc1F

$$$$
ZINC000638029854
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.8301 -4.1339 0.0 0
M  V30 2 C 4.3301 -4.9999 0.0 0
M  V30 3 F 5.1961 -5.4999 0.0 0
M  V30 4 F 3.8301 -5.866 0.0 0
M  V30 5 C 3.4641 -4.5 0.0 0
M  V30 6 C 3.4641 -3.5 0.0 0
M  V30 7 C 2.598 -5.0 0.0 0
M  V30 8 C 2.598 -3.0 0.0 0
M  V30 9 C 1.732 -4.4999 0.0 0
M  V30 10 C 1.732 -3.5 0.0 0
M  V30 11 C 2.598 -2.0 0.0 0
M  V30 12 O 3.4641 -1.5 0.0 0
M  V30 13 C 1.732 -1.5 0.0 0
M  V30 14 C 3.4641 -0.5 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 2.598 0.0 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 O 0.866 1.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 C -0.9135 -0.0932 0.0 0
M  V30 21 C -0.1045 -1.4945 0.0 0
M  V30 22 C -1.5826 -0.8364 0.0 0
M  V30 23 C -1.0826 -1.7024 0.0 0
M  V30 24 N -1.4894 -2.6159 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 21 23
M  V30 23 1 23 24
M  V30 24 1 9 10
M  V30 25 1 15 16
M  V30 26 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000638029854

>  <name>
NA

>  <smiles>
NC1CC(C=C1)C(=O)N1CCOC(C1)c1cccc(c1)C(F)(F)F

$$$$
ZINC001654053293
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 5.3529 -2.2417 0.0 0
M  V30 2 C 6.8201 -2.5536 0.0 0
M  V30 3 C 5.1961 -0.75 0.0 0
M  V30 4 C 7.5701 -1.2546 0.0 0
M  V30 5 C 7.5701 -3.8526 0.0 0
M  V30 6 N 6.5664 -0.1398 0.0 0
M  V30 7 C 3.8971 0.0 0.0 0 CFG=1
M  V30 8 C 9.0701 -1.2546 0.0 0
M  V30 9 C 9.0701 -3.8526 0.0 0
M  V30 10 N 2.598 -0.75 0.0 0
M  V30 11 C 3.8971 1.5 0.0 0
M  V30 12 C 9.8201 -2.5536 0.0 0
M  V30 13 C 1.299 0.0 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 N -1.299 0.0 0.0 0
M  V30 16 C 0.0 -2.2499 0.0 0
M  V30 17 C -2.598 -0.7499 0.0 0
M  V30 18 C -1.299 -2.9999 0.0 0
M  V30 19 N -4.0246 -0.2864 0.0 0
M  V30 20 N -2.598 -2.2499 0.0 0
M  V30 21 O -1.299 -4.5 0.0 0
M  V30 22 C -4.9063 -1.4999 0.0 0
M  V30 23 N -4.0246 -2.7135 0.0 0
M  V30 24 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 7 3
M  V30 7 1 4 8
M  V30 8 2 5 9
M  V30 9 1 7 10 CFG=1
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 10 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 2 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 22 24
M  V30 24 1 4 6
M  V30 25 1 9 12
M  V30 26 1 18 20
M  V30 27 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 7)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001654053293

>  <name>
NA

>  <smiles>
CC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1nc2ccccc2s1

$$$$
ZINC001531070308
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 8.4176 -2.6159 0.0 0
M  V30 2 C 8.0108 -1.7024 0.0 0
M  V30 3 C 8.5108 -0.8364 0.0 0
M  V30 4 C 7.0327 -1.4945 0.0 0
M  V30 5 N 7.8417 -0.0932 0.0 0
M  V30 6 C 6.9282 -0.5 0.0 0
M  V30 7 C 6.0621 0.0 0.0 0
M  V30 8 O 6.0621 0.9999 0.0 0
M  V30 9 N 5.1961 -0.5 0.0 0
M  V30 10 C 4.3301 0.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 12 N 2.598 0.0 0.0 0
M  V30 13 C 3.4641 -1.5 0.0 0
M  V30 14 C 1.732 -0.5 0.0 0
M  V30 15 C 4.3301 -2.0 0.0 0
M  V30 16 O 1.732 -1.5 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 N -0.9135 -0.0932 0.0 0
M  V30 20 C -0.1045 -1.4945 0.0 0
M  V30 21 C -1.5826 -0.8364 0.0 0
M  V30 22 N -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 11 10
M  V30 11 1 11 12 CFG=3
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 2 18 20
M  V30 20 2 19 21
M  V30 21 1 20 22
M  V30 22 1 5 6
M  V30 23 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001531070308

>  <name>
NA

>  <smiles>
CCC(CNC(=O)c1cc(Cl)c[nH]1)NC(=O)Cc1c[nH]cn1

$$$$
ZINC000344047514
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 5.5372 2.4954 0.0 0
M  V30 2 C 6.6519 1.4917 0.0 0
M  V30 3 C 6.4951 0.0 0.0 0
M  V30 4 C 8.1192 1.8036 0.0 0
M  V30 5 N 5.1961 -0.75 0.0 0
M  V30 6 C 7.8655 -0.6101 0.0 0
M  V30 7 C 8.8692 0.5046 0.0 0
M  V30 8 C 3.8971 0.0 0.0 0
M  V30 9 O 3.8971 1.5 0.0 0
M  V30 10 C 2.598 -0.75 0.0 0
M  V30 11 O 2.598 -2.25 0.0 0
M  V30 12 N 1.299 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 C -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.2499 0.0 0
M  V30 16 C -2.598 -0.7499 0.0 0
M  V30 17 C -1.299 -2.9999 0.0 0
M  V30 18 N -4.0246 -0.2864 0.0 0
M  V30 19 C -2.598 -2.2499 0.0 0
M  V30 20 C -4.9063 -1.4999 0.0 0
M  V30 21 C -4.4881 1.1401 0.0 0
M  V30 22 N -4.0246 -2.7135 0.0 0
M  V30 23 O -6.4063 -1.4999 0.0 0
M  V30 24 C -4.4881 -4.1401 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 16 18
M  V30 18 2 16 19
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 22 24
M  V30 24 1 6 7
M  V30 25 1 17 19
M  V30 26 1 20 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000344047514

>  <name>
NA

>  <smiles>
Cn1c2ccc(NC(=O)C(=O)NC3CCCC3F)cc2n(C)c1=O

$$$$
ZINC001121423626
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 10.8671 -6.0301 0.0 0
M  V30 2 C 10.4603 -5.1166 0.0 0
M  V30 3 C 10.9603 -4.2506 0.0 0
M  V30 4 C 9.4822 -4.9087 0.0 0
M  V30 5 N 10.2912 -3.5074 0.0 0
M  V30 6 C 9.3776 -3.9142 0.0 0
M  V30 7 C 8.5116 -3.4142 0.0 0
M  V30 8 O 7.6456 -3.9142 0.0 0
M  V30 9 N 8.5116 -2.4142 0.0 0
M  V30 10 C 7.6456 -1.9142 0.0 0
M  V30 11 C 7.3868 -0.9482 0.0 0
M  V30 12 C 6.6797 -2.173 0.0 0
M  V30 13 C 6.4208 -1.2071 0.0 0
M  V30 14 C 6.162 -0.2411 0.0 0
M  V30 15 C 5.4549 -1.4659 0.0 0
M  V30 16 C 5.1961 -0.5 0.0 0
M  V30 17 N 4.3301 0.0 0.0 0
M  V30 18 C 3.4641 -0.5 0.0 0
M  V30 19 C 2.598 0.0 0.0 0
M  V30 20 O 2.598 1.0 0.0 0
M  V30 21 N 1.732 -0.5 0.0 0
M  V30 22 C 0.866 0.0 0.0 0
M  V30 23 O 0.866 1.0 0.0 0
M  V30 24 N 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 2 22 23
M  V30 23 1 22 24
M  V30 24 1 5 6
M  V30 25 1 12 13
M  V30 26 1 15 16
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001121423626

>  <name>
NA

>  <smiles>
NC(=O)NC(=O)CNC1CC2(C1)CC(C2)NC(=O)c1cc(F)c[nH]1

$$$$
ZINC001531072897
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 7.8139 1.9455 0.0 0
M  V30 2 C 7.1448 1.2024 0.0 0
M  V30 3 C 8.7275 1.5388 0.0 0
M  V30 4 C 7.6448 0.3364 0.0 0
M  V30 5 C 6.1667 0.9945 0.0 0
M  V30 6 C 8.623 0.5443 0.0 0
M  V30 7 N 6.9757 -0.4067 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 C 5.1961 -0.5 0.0 0
M  V30 10 O 5.1961 -1.4999 0.0 0
M  V30 11 N 4.3301 0.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 C 3.4641 -1.5 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 4.3301 -2.0 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 O 0.866 1.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 C -0.9135 -0.0932 0.0 0
M  V30 21 C -0.1045 -1.4945 0.0 0
M  V30 22 S -1.5826 -0.8364 0.0 0
M  V30 23 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 4 7
M  V30 7 2 5 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 12 11 CFG=1
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 4 6
M  V30 24 1 7 8
M  V30 25 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001531072897

>  <name>
NA

>  <smiles>
CCC(CNC(=O)c1ccsc1)NC(=O)c1cc2sccc2[nH]1

$$$$
ZINC000359777445
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 7.7942 2.25 0.0 0
M  V30 2 C 6.4951 1.5 0.0 0
M  V30 3 C 5.1961 2.25 0.0 0
M  V30 4 C 6.4951 0.0 0.0 0
M  V30 5 C 3.8971 1.5 0.0 0
M  V30 6 C 5.1961 -0.7499 0.0 0
M  V30 7 C 3.8971 0.0 0.0 0
M  V30 8 C 2.598 -0.75 0.0 0
M  V30 9 O 2.598 -2.25 0.0 0
M  V30 10 N 1.299 0.0 0.0 0
M  V30 11 C 0.0 -0.75 0.0 0
M  V30 12 C -1.299 0.0 0.0 0
M  V30 13 C 0.0 -2.2499 0.0 0
M  V30 14 O -1.299 1.5 0.0 0
M  V30 15 C -2.598 -0.7499 0.0 0
M  V30 16 C -1.299 -2.9999 0.0 0
M  V30 17 C -2.598 -2.2499 0.0 0
M  V30 18 N -1.6109 -4.4672 0.0 0
M  V30 19 N -3.7127 -3.2536 0.0 0
M  V30 20 C -3.1026 -4.624 0.0 0
M  V30 21 C -0.6072 -5.5819 0.0 0
M  V30 22 C -5.18 -2.9418 0.0 0
M  V30 23 O -3.8526 -5.923 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 2 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 6 7
M  V30 24 1 16 17
M  V30 25 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000359777445

>  <name>
NA

>  <smiles>
Cn1c2cc(O)c(NC(=O)c3ccc(F)cc3)cc2n(C)c1=O

$$$$
ZINC000680326437
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl -1.8866 2.4052 0.0 0
M  V30 2 C -0.9956 1.9512 0.0 0
M  V30 3 C -0.9433 0.9526 0.0 0
M  V30 4 C -0.157 2.4958 0.0 0
M  V30 5 C -0.0523 0.4986 0.0 0
M  V30 6 C 0.7339 2.0418 0.0 0
M  V30 7 C 0.7863 1.0432 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.1045 -1.4945 0.0 0
M  V30 11 C -0.9135 -0.0932 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 C -1.0826 -1.7024 0.0 0
M  V30 14 C -1.5826 -0.8364 0.0 0
M  V30 15 O 2.598 0.0 0.0 0
M  V30 16 C 1.732 -1.5 0.0 0
M  V30 17 C 2.598 -1.9999 0.0 0
M  V30 18 C 0.866 -1.9999 0.0 0
M  V30 19 C 2.598 -2.9999 0.0 0
M  V30 20 C 0.866 -3.0 0.0 0
M  V30 21 O 3.4641 -3.4999 0.0 0
M  V30 22 N 1.732 -3.5 0.0 0
M  V30 23 C 0.0 -3.5 0.0 0
M  V30 24 C -0.866 -3.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 6 7
M  V30 25 1 13 14
M  V30 26 1 20 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000680326437

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CCCC1)c1cccc(Cl)c1

$$$$
ZINC001367155248
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.5385 -7.6947 0.0 0
M  V30 2 C 3.617 -6.1967 0.0 0
M  V30 3 N 4.9535 -5.5157 0.0 0
M  V30 4 C 2.359 -5.3798 0.0 0
M  V30 5 C 5.032 -4.0178 0.0 0
M  V30 6 C 2.4375 -3.8818 0.0 0 CFG=2
M  V30 7 C 3.774 -3.2008 0.0 0
M  V30 8 C 1.1795 -3.0649 0.0 0
M  V30 9 O -0.157 -3.7458 0.0 0
M  V30 10 N 1.258 -1.5669 0.0 0
M  V30 11 C 0.0 -0.75 0.0 0
M  V30 12 C -1.3703 -0.1398 0.0 0
M  V30 13 C -0.1567 -2.2417 0.0 0
M  V30 14 C 1.299 0.0 0.0 0
M  V30 15 C -2.374 -1.2546 0.0 0
M  V30 16 C -1.624 -2.5536 0.0 0
M  V30 17 N 2.598 -0.75 0.0 0
M  V30 18 C 3.8971 0.0 0.0 0
M  V30 19 C 5.1961 -0.75 0.0 0
M  V30 20 C 5.1961 -2.25 0.0 0
M  V30 21 C 6.4951 0.0 0.0 0
M  V30 22 N 6.4951 -3.0 0.0 0
M  V30 23 C 7.7942 -0.75 0.0 0
M  V30 24 C 7.7942 -2.25 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 1 5 7
M  V30 7 1 6 8 CFG=1
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 2 22 24
M  V30 24 1 6 7
M  V30 25 1 15 16
M  V30 26 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001367155248

>  <name>
NA

>  <smiles>
O=C(NC1(CNCc2cccnc2)CCCC1)C1CCNC(=O)C1

$$$$
ZINC000598597745
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -5.0 0.0 0
M  V30 2 C 2.598 -4.0 0.0 0
M  V30 3 N 3.4641 -3.5 0.0 0
M  V30 4 C 1.732 -3.5 0.0 0
M  V30 5 N 4.4151 -3.809 0.0 0
M  V30 6 C 3.4641 -2.5 0.0 0
M  V30 7 C 1.732 -2.5 0.0 0
M  V30 8 C 5.0029 -3.0 0.0 0
M  V30 9 N 4.4151 -2.1909 0.0 0
M  V30 10 N 2.598 -2.0 0.0 0
M  V30 11 C 0.866 -2.0 0.0 0
M  V30 12 N 6.0029 -3.0 0.0 0
M  V30 13 N 0.866 -1.0 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0
M  V30 15 C -0.866 0.0 0.0 0
M  V30 16 C 0.0 -1.4999 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 C -1.732 -0.4999 0.0 0
M  V30 19 C -0.866 -1.9999 0.0 0
M  V30 20 C 1.732 -0.5 0.0 0
M  V30 21 C -1.732 -1.4999 0.0 0
M  V30 22 O 1.732 -1.5 0.0 0
M  V30 23 O 2.598 0.0 0.0 0
M  V30 24 C 3.4641 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 7 10
M  V30 25 1 8 9
M  V30 26 1 19 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000598597745

>  <name>
NA

>  <smiles>
COC(=O)CC1(CCCCC1)NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC001629984307
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 5.1961 2.25 0.0 0
M  V30 2 C 6.4952 1.5 0.0 0
M  V30 3 C 6.4952 0.0 0.0 0
M  V30 4 C 7.7942 2.25 0.0 0
M  V30 5 C 7.7942 -0.75 0.0 0
M  V30 6 C 5.1961 -0.75 0.0 0 CFG=1
M  V30 7 C 9.0932 1.5 0.0 0
M  V30 8 C 9.0932 0.0 0.0 0
M  V30 9 O 5.1961 -2.25 0.0 0
M  V30 10 C 3.8971 0.0 0.0 0
M  V30 11 Cl 10.3923 2.25 0.0 0
M  V30 12 N 2.598 -0.75 0.0 0
M  V30 13 C 1.299 0.0 0.0 0
M  V30 14 O 1.299 1.5 0.0 0
M  V30 15 C 0.0 -0.75 0.0 0
M  V30 16 N -1.3703 -0.1398 0.0 0
M  V30 17 C -0.1567 -2.2417 0.0 0
M  V30 18 N -2.374 -1.2546 0.0 0
M  V30 19 N -1.624 -2.5536 0.0 0
M  V30 20 C -2.2341 -3.9239 0.0 0
M  V30 21 F -2.0773 -5.4157 0.0 0
M  V30 22 F -0.8638 -4.534 0.0 0
M  V30 23 C -3.7259 -4.0807 0.0 0
M  V30 24 O -4.336 -5.451 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 3
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9 CFG=1
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 2 15 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 1 7 8
M  V30 25 1 18 19
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001629984307

>  <name>
NA

>  <smiles>
OCC(F)(F)n1cc(nn1)C(=O)NCC(O)c1ccc(Cl)cc1Cl

$$$$
ZINC001460309423
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -3.0 0.0 0
M  V30 2 C 2.598 -1.9999 0.0 0
M  V30 3 N 3.4641 -1.4999 0.0 0
M  V30 4 C 1.732 -1.4999 0.0 0
M  V30 5 N 4.4151 -1.809 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 C 5.0029 -0.9999 0.0 0
M  V30 9 N 4.4151 -0.1909 0.0 0
M  V30 10 N 2.598 0.0 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 N 6.0029 -0.9999 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 C -1.5826 -0.8364 0.0 0
M  V30 17 C -1.1214 0.8848 0.0 0
M  V30 18 C -1.0826 -1.7024 0.0 0
M  V30 19 C 0.6386 -2.1636 0.0 0
M  V30 20 O -2.0725 1.1939 0.0 0
M  V30 21 O 0.4307 -3.1418 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 15 19
M  V30 19 1 17 20
M  V30 20 1 19 21
M  V30 21 1 7 10
M  V30 22 1 8 9
M  V30 23 1 16 18
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001460309423

>  <name>
NA

>  <smiles>
OCC1CCC(CO)N1Cc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC001326436596
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 -0.5 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 N 5.1961 -0.5 0.0 0
M  V30 4 N 6.0621 0.9999 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0
M  V30 6 O 4.3301 1.0 0.0 0
M  V30 7 C 3.4641 -0.5 0.0 0
M  V30 8 N 2.598 0.0 0.0 0
M  V30 9 C 1.732 -0.5 0.0 0
M  V30 10 C 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0 CFG=2
M  V30 12 C -0.9135 -0.0932 0.0 0
M  V30 13 C -0.1045 -1.4945 0.0 0
M  V30 14 N -1.5826 -0.8364 0.0 0
M  V30 15 C -1.0826 -1.7024 0.0 0
M  V30 16 C -2.5771 -0.7318 0.0 0
M  V30 17 O -3.1649 -1.5408 0.0 0
M  V30 18 C -2.9839 0.1816 0.0 0
M  V30 19 C -3.9784 0.2861 0.0 0
M  V30 20 N -4.4784 1.1522 0.0 0
M  V30 21 C -4.6475 -0.4569 0.0 0
M  V30 22 C -5.4566 0.9443 0.0 0
M  V30 23 C -5.5611 -0.0502 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 11 10 CFG=1
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 2 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 14 15
M  V30 24 2 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001326436596

>  <name>
NA

>  <smiles>
NC(=O)NC(=O)CNCCC1CCN(C1)C(=O)Cc1ccc[nH]1

$$$$
ZINC000950575151
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.0621 1.0 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 N 5.1961 -0.5 0.0 0
M  V30 4 C 6.9282 -0.5 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0
M  V30 6 C 5.1961 -1.4999 0.0 0
M  V30 7 C 6.9282 -1.4999 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 9 C 4.3301 -1.9999 0.0 0
M  V30 10 C 7.7942 -2.0 0.0 0
M  V30 11 N 2.598 0.0 0.0 0
M  V30 12 C 3.4641 -1.4999 0.0 0
M  V30 13 N 7.8987 -2.9945 0.0 0
M  V30 14 C 8.7077 -1.5932 0.0 0
M  V30 15 C 1.732 -0.5 0.0 0
M  V30 16 C 8.8769 -3.2024 0.0 0
M  V30 17 C 9.3769 -2.3364 0.0 0
M  V30 18 O 1.732 -1.5 0.0 0
M  V30 19 C 0.866 0.0 0.0 0
M  V30 20 C 0.0 -0.5 0.0 0
M  V30 21 N -0.9135 -0.0932 0.0 0
M  V30 22 N -0.1045 -1.4945 0.0 0
M  V30 23 N -1.5826 -0.8364 0.0 0
M  V30 24 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7 CFG=2
M  V30 7 1 8 5
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 1 8 11 CFG=3
M  V30 11 1 8 12
M  V30 12 1 10 13
M  V30 13 2 10 14
M  V30 14 1 11 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 15 19
M  V30 19 1 19 20
M  V30 20 2 20 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 22 24
M  V30 24 1 9 12
M  V30 25 2 16 17
M  V30 26 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000950575151

>  <name>
NA

>  <smiles>
O=C(Cc1nc[nH]n1)NC1CCCN(C1)C(=O)C=Cc1ccc[nH]1

$$$$
ZINC001560013308
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 3.4641 -1.4999 0.0 0
M  V30 2 C 4.3301 -1.9999 0.0 0
M  V30 3 C 4.3301 -2.9999 0.0 0
M  V30 4 C 5.1961 -1.4999 0.0 0
M  V30 5 Cl 3.4641 -3.4999 0.0 0
M  V30 6 C 5.1961 -3.4999 0.0 0
M  V30 7 C 6.0621 -2.0 0.0 0
M  V30 8 C 5.1961 -0.5 0.0 0 CFG=1
M  V30 9 C 6.0621 -3.0 0.0 0
M  V30 10 N 4.3301 0.0 0.0 0
M  V30 11 C 6.0621 0.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0
M  V30 13 O 6.9282 -0.5 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 O 2.598 1.0 0.0 0
M  V30 16 N 1.732 -0.5 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 C -0.866 0.0 0.0 0
M  V30 20 C 0.0 -1.4999 0.0 0
M  V30 21 C -1.732 -0.4999 0.0 0
M  V30 22 C -0.866 -1.9999 0.0 0
M  V30 23 C -1.732 -1.4999 0.0 0
M  V30 24 F -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 8 4
M  V30 8 2 6 9
M  V30 9 1 8 10 CFG=1
M  V30 10 1 8 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 2 21 23
M  V30 23 1 23 24
M  V30 24 1 7 9
M  V30 25 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001560013308

>  <name>
NA

>  <smiles>
OCC(NCC(=O)NCc1ccc(F)cc1)c1cccc(Cl)c1Cl

$$$$
ZINC001106387293
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 7.4831 1.4773 0.0 0
M  V30 2 C 8.3967 1.884 0.0 0
M  V30 3 C 6.814 2.2205 0.0 0
M  V30 4 C 8.2922 2.8786 0.0 0
M  V30 5 C 9.3102 1.4773 0.0 0
M  V30 6 C 5.8195 2.1159 0.0 0
M  V30 7 C 7.314 3.0865 0.0 0
M  V30 8 C 9.1012 3.4664 0.0 0
M  V30 9 C 10.1193 2.0651 0.0 0
M  V30 10 O 5.2317 2.9249 0.0 0
M  V30 11 N 5.4128 1.2024 0.0 0
M  V30 12 C 10.0147 3.0596 0.0 0
M  V30 13 F 11.0328 1.6584 0.0 0
M  V30 14 C 4.4346 0.9945 0.0 0
M  V30 15 C 5.9128 0.3364 0.0 0
M  V30 16 C 4.3301 0.0 0.0 0
M  V30 17 C 5.2436 -0.4067 0.0 0
M  V30 18 C 3.4641 -0.5 0.0 0
M  V30 19 C 5.4515 -1.3848 0.0 0
M  V30 20 N 2.598 0.0 0.0 0
M  V30 21 C 1.732 -0.5 0.0 0
M  V30 22 C 0.866 0.0 0.0 0
M  V30 23 O 0.866 1.0 0.0 0
M  V30 24 N 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 1 3 6
M  V30 6 2 3 7
M  V30 7 1 4 8
M  V30 8 2 5 9
M  V30 9 2 6 10
M  V30 10 1 6 11
M  V30 11 2 8 12
M  V30 12 1 9 13
M  V30 13 1 11 14
M  V30 14 1 11 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 1 21 22
M  V30 22 2 22 23
M  V30 23 1 22 24
M  V30 24 1 4 7
M  V30 25 1 9 12
M  V30 26 1 16 17
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001106387293

>  <name>
NA

>  <smiles>
CC1CN(CC1CNCC(N)=O)C(=O)c1cc2ccc(F)cc2s1

$$$$
ZINC001420773667
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 9.5262 -2.0 0.0 0
M  V30 2 C 8.6602 -1.5 0.0 0
M  V30 3 N 8.6602 -0.5 0.0 0
M  V30 4 C 7.7942 -2.0 0.0 0
M  V30 5 C 7.7942 0.0 0.0 0
M  V30 6 C 6.9282 -1.5 0.0 0
M  V30 7 C 6.9282 -0.5 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 O 6.0621 0.9999 0.0 0
M  V30 10 N 5.1961 -0.5 0.0 0
M  V30 11 C 4.3301 0.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0
M  V30 13 N 2.598 0.0 0.0 0
M  V30 14 C 3.4641 -1.5 0.0 0
M  V30 15 C 1.732 -0.5 0.0 0
M  V30 16 C 2.598 -1.9999 0.0 0
M  V30 17 C 4.3301 -2.0 0.0 0
M  V30 18 C 0.866 0.0 0.0 0
M  V30 19 C 2.598 -2.9999 0.0 0
M  V30 20 C 4.3301 -3.0 0.0 0
M  V30 21 O 0.866 1.0 0.0 0
M  V30 22 C 0.0 -0.5 0.0 0
M  V30 23 C 3.4641 -3.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 18 22
M  V30 22 2 19 23
M  V30 23 1 6 7
M  V30 24 1 20 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001420773667

>  <name>
NA

>  <smiles>
CC(O)CNC(CNC(=O)c1ccc(=O)[nH]c1)c1ccccc1

$$$$
ZINC001471867215
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 9.0932 -4.5 0.0 0
M  V30 2 C 9.0932 -3.0 0.0 0
M  V30 3 C 10.3923 -2.25 0.0 0
M  V30 4 C 7.7942 -2.2499 0.0 0
M  V30 5 O 11.6913 -3.0 0.0 0
M  V30 6 C 10.3923 -0.75 0.0 0
M  V30 7 C 7.7942 -0.75 0.0 0
M  V30 8 C 9.0932 0.0 0.0 0
M  V30 9 C 6.4951 0.0 0.0 0
M  V30 10 C 5.1961 -0.75 0.0 0
M  V30 11 O 5.1961 -2.25 0.0 0
M  V30 12 N 3.8971 0.0 0.0 0
M  V30 13 C 2.598 -0.75 0.0 0
M  V30 14 C 1.299 0.0 0.0 0 CFG=2
M  V30 15 O 1.299 1.5 0.0 0
M  V30 16 C 0.0 -0.75 0.0 0
M  V30 17 C -1.299 0.0 0.0 0
M  V30 18 C 0.0 -2.2499 0.0 0
M  V30 19 F -1.299 1.5 0.0 0
M  V30 20 C -2.598 -0.7499 0.0 0
M  V30 21 F 1.299 -3.0 0.0 0
M  V30 22 C -1.299 -2.9999 0.0 0
M  V30 23 C -2.598 -2.2499 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 6 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 1 14 13
M  V30 14 1 14 15 CFG=1
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 2 18 22
M  V30 22 2 20 23
M  V30 23 1 7 8
M  V30 24 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001471867215

>  <name>
NA

>  <smiles>
OC(CNC(=O)Cc1ccc(O)c(F)c1)c1c(F)cccc1F

$$$$
ZINC000423776046
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.8971 -9.0 0.0 0
M  V30 2 C 3.8971 -7.5 0.0 0
M  V30 3 C 5.1961 -6.75 0.0 0
M  V30 4 C 2.598 -6.75 0.0 0
M  V30 5 C 5.1961 -5.25 0.0 0
M  V30 6 C 6.4951 -7.5 0.0 0
M  V30 7 C 2.598 -5.2499 0.0 0
M  V30 8 C 3.8971 -4.5 0.0 0
M  V30 9 C 3.8971 -3.0 0.0 0 CFG=1
M  V30 10 O 5.1961 -2.25 0.0 0
M  V30 11 C 2.598 -2.25 0.0 0
M  V30 12 C 5.1961 -0.75 0.0 0
M  V30 13 N 2.598 -0.75 0.0 0
M  V30 14 C 3.8971 0.0 0.0 0
M  V30 15 C 1.299 0.0 0.0 0
M  V30 16 O 1.299 1.5 0.0 0
M  V30 17 C 0.0 -0.75 0.0 0
M  V30 18 C -1.3703 -0.1398 0.0 0
M  V30 19 C -0.1567 -2.2417 0.0 0
M  V30 20 O -2.374 -1.2546 0.0 0
M  V30 21 C -1.624 -2.5536 0.0 0
M  V30 22 C -2.2341 -3.9239 0.0 0
M  V30 23 N -1.3524 -5.1374 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 9 8 CFG=3
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 7 8
M  V30 24 1 13 14
M  V30 25 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000423776046

>  <name>
NA

>  <smiles>
Cc1cc(ccc1F)C1CN(CCO1)C(=O)c1coc(CN)c1

$$$$
ZINC001431752981
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 9.5262 0.0 0.0 0
M  V30 2 C 8.6602 -0.5 0.0 0
M  V30 3 N 7.7942 0.0 0.0 0
M  V30 4 C 8.6602 -1.5 0.0 0
M  V30 5 C 6.9282 -0.5 0.0 0
M  V30 6 C 7.7942 -2.0 0.0 0
M  V30 7 C 6.0621 0.0 0.0 0
M  V30 8 C 6.9282 -1.5 0.0 0
M  V30 9 O 6.0621 0.9999 0.0 0
M  V30 10 N 5.1961 -0.5 0.0 0
M  V30 11 C 4.3301 0.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 13 N 2.598 0.0 0.0 0
M  V30 14 C 3.4641 -1.5 0.0 0
M  V30 15 C 1.732 -0.5 0.0 0
M  V30 16 O 1.732 -1.5 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 C -0.9135 -0.0932 0.0 0
M  V30 20 C -0.1045 -1.4945 0.0 0
M  V30 21 N -1.5826 -0.8364 0.0 0
M  V30 22 N -1.0826 -1.7024 0.0 0
M  V30 23 C -1.4894 -2.6159 0.0 0
M  V30 24 C -0.9016 -3.4249 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 2 7 9
M  V30 9 1 7 10
M  V30 10 1 10 11
M  V30 11 1 12 11
M  V30 12 1 12 13 CFG=3
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 2 18 20
M  V30 20 2 19 21
M  V30 21 1 20 22
M  V30 22 1 22 23
M  V30 23 1 23 24
M  V30 24 1 6 8
M  V30 25 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001431752981

>  <name>
NA

>  <smiles>
CCn1cc(CC(=O)NC(C)CNC(=O)c2cccc(=O)[nH]2)cn1

$$$$
ZINC001377297451
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 8.6393 0.2318 0.0 0
M  V30 2 C 7.6448 0.3364 0.0 0
M  V30 3 N 7.1448 1.2024 0.0 0
M  V30 4 N 6.9757 -0.4067 0.0 0
M  V30 5 C 6.1667 0.9945 0.0 0
M  V30 6 C 7.5515 2.1159 0.0 0
M  V30 7 C 6.0621 0.0 0.0 0
M  V30 8 C 5.1961 -0.5 0.0 0
M  V30 9 O 5.1961 -1.4999 0.0 0
M  V30 10 N 4.3301 0.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 C 3.4641 -1.5 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.9135 -0.0932 0.0 0
M  V30 19 C -0.1045 -1.4945 0.0 0
M  V30 20 C -1.5826 -0.8364 0.0 0
M  V30 21 C -1.1214 0.8848 0.0 0
M  V30 22 N -1.0826 -1.7024 0.0 0
M  V30 23 O -2.5771 -0.7318 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 11 10 CFG=1
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 2 5 7
M  V30 24 1 20 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001377297451

>  <name>
NA

>  <smiles>
CC(CNC(=O)c1c[nH]c(=O)n1C)NC(=O)c1cn(C)c(=O)[nH]1

$$$$
ZINC000933381216
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.598 -2.9999 0.0 0
M  V30 2 C 2.598 -3.0 0.0 0
M  V30 3 F 2.598 -4.0 0.0 0
M  V30 4 F 1.598 -3.0 0.0 0
M  V30 5 C 2.598 -1.9999 0.0 0
M  V30 6 C 3.4641 -1.5 0.0 0
M  V30 7 C 1.732 -1.5 0.0 0
M  V30 8 O 4.3301 -2.0 0.0 0
M  V30 9 N 3.4641 -0.5 0.0 0
M  V30 10 C 1.732 -0.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 C 0.866 0.0 0.0 0
M  V30 13 O 0.866 1.0 0.0 0
M  V30 14 N 0.0 -0.5 0.0 0
M  V30 15 C -0.9135 -0.0932 0.0 0
M  V30 16 C -0.1045 -1.4945 0.0 0
M  V30 17 C -1.5826 -0.8364 0.0 0 CFG=2
M  V30 18 C -1.0826 -1.7024 0.0 0
M  V30 19 O -2.5771 -0.7318 0.0 0
M  V30 20 C -1.941 0.0971 0.0 0
M  V30 21 F -2.8746 -0.2611 0.0 0
M  V30 22 F -2.2994 1.0307 0.0 0
M  V30 23 F -1.0074 0.4555 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 5 6
M  V30 6 2 5 7
M  V30 7 2 6 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 17 15
M  V30 17 1 16 18
M  V30 18 1 17 19 CFG=3
M  V30 19 1 17 20
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 1 20 23
M  V30 23 2 10 11
M  V30 24 1 17 18
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 17)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000933381216

>  <name>
NA

>  <smiles>
OC1(CCN(C1)C(=O)c1c[nH]c(=O)c(c1)C(F)(F)F)C(F)(F)F

$$$$
ZINC001219020711
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.4641 1.4999 0.0 0
M  V30 2 C 4.3301 1.0 0.0 0
M  V30 3 C 4.3301 0.0 0.0 0
M  V30 4 C 5.1961 1.5 0.0 0
M  V30 5 C 5.1961 -0.4999 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0
M  V30 7 C 6.0621 1.0 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 C 2.598 0.0 0.0 0 CFG=2
M  V30 10 N 2.598 1.0 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0
M  V30 12 O 1.732 -1.5 0.0 0
M  V30 13 N 0.866 0.0 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0
M  V30 15 C 0.0 -1.4999 0.0 0
M  V30 16 C -0.866 0.0 0.0 0
M  V30 17 C -0.866 -1.9999 0.0 0
M  V30 18 C -1.732 -0.4999 0.0 0
M  V30 19 C -1.732 -1.4999 0.0 0
M  V30 20 C -1.0739 -2.9781 0.0 0
M  V30 21 N -2.4751 -2.1691 0.0 0
M  V30 22 C -2.0684 -3.0826 0.0 0
M  V30 23 C -3.4533 -1.9612 0.0 0
M  V30 24 O -2.5684 -3.9487 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 9 6
M  V30 9 1 9 10 CFG=1
M  V30 10 1 9 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 7 8
M  V30 25 1 18 19
M  V30 26 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001219020711

>  <name>
NA

>  <smiles>
Cn1c(O)cc2cc(NC(=O)C(N)Cc3ccccc3F)ccc12

$$$$
ZINC001434060379
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 3.5211 1.5877 0.0 0
M  V30 2 C 4.3301 0.9999 0.0 0
M  V30 3 C 3.8301 2.5388 0.0 0
M  V30 4 C 5.1391 1.5877 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0 CFG=1
M  V30 6 C 4.8301 2.5388 0.0 0
M  V30 7 N 5.1961 -0.5 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0
M  V30 9 C 6.0621 0.0 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 O 6.9282 -0.5 0.0 0
M  V30 12 N 6.0621 0.9999 0.0 0
M  V30 13 O 2.598 1.0 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 N -0.866 0.0 0.0 0
M  V30 18 C 0.0 -1.4999 0.0 0
M  V30 19 C -1.732 -0.4999 0.0 0
M  V30 20 C -0.866 -1.9999 0.0 0
M  V30 21 C -1.732 -1.4999 0.0 0
M  V30 22 O -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 5 2
M  V30 5 2 3 6
M  V30 6 1 5 7 CFG=1
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 2 10 13
M  V30 13 1 10 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 4 6
M  V30 23 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001434060379

>  <name>
NA

>  <smiles>
NC(=O)NC(CC(=O)NCc1cc(=O)cc[nH]1)c1cccs1

$$$$
ZINC001425283450
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 9.0461 -0.6816 0.0 0
M  V30 2 C 8.6393 0.2318 0.0 0
M  V30 3 F 9.2271 1.0408 0.0 0
M  V30 4 C 7.6448 0.3364 0.0 0
M  V30 5 N 7.1448 1.2024 0.0 0
M  V30 6 C 6.9757 -0.4067 0.0 0
M  V30 7 N 6.1667 0.9945 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 C 5.1961 -0.5 0.0 0
M  V30 10 O 5.1961 -1.4999 0.0 0
M  V30 11 N 4.3301 0.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 13 C 3.4641 -1.5 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 O 4.3301 -2.0 0.0 0
M  V30 16 N 1.732 -0.5 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 O 0.866 1.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 N -0.9135 -0.0932 0.0 0
M  V30 21 C -0.1045 -1.4945 0.0 0
M  V30 22 C -1.5826 -0.8364 0.0 0
M  V30 23 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 4 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 12 11 CFG=3
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 16 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 2 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 7 8
M  V30 24 2 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001425283450

>  <name>
NA

>  <smiles>
OCC(CNC(=O)c1ccc[nH]1)NC(=O)c1cc([nH]n1)C(F)F

$$$$
ZINC001209425699
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.7356 -6.8701 0.0 0
M  V30 2 C 6.3234 -6.0611 0.0 0
M  V30 3 N 7.3179 -6.1656 0.0 0
M  V30 4 C 5.9167 -5.1475 0.0 0
M  V30 5 C 7.9057 -5.3566 0.0 0
M  V30 6 C 6.5045 -4.3385 0.0 0
M  V30 7 O 8.9002 -5.4611 0.0 0
M  V30 8 C 7.499 -4.443 0.0 0
M  V30 9 C 6.0977 -3.4249 0.0 0
M  V30 10 O 5.1032 -3.3204 0.0 0
M  V30 11 N 6.6855 -2.6159 0.0 0
M  V30 12 C 6.2788 -1.7024 0.0 0
M  V30 13 C 6.7788 -0.8364 0.0 0
M  V30 14 C 5.3006 -1.4945 0.0 0
M  V30 15 C 6.1096 -0.0932 0.0 0
M  V30 16 C 7.7733 -0.7318 0.0 0
M  V30 17 N 5.1961 -0.5 0.0 0
M  V30 18 C 4.3301 0.0 0.0 0
M  V30 19 C 3.4641 -0.5 0.0 0
M  V30 20 O 3.4641 -1.5 0.0 0
M  V30 21 N 2.598 0.0 0.0 0
M  V30 22 C 1.732 -0.5 0.0 0
M  V30 23 C 0.866 0.0 0.0 0
M  V30 24 C 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 2 23 24
M  V30 24 1 6 8
M  V30 25 1 15 17
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001209425699

>  <name>
NA

>  <smiles>
CC1CN(CC(=O)NCC=C)CC1NC(O)c1cc(O)[nH]c(=O)c1

$$$$
ZINC000621286435
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.7499 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 N 7.6099 2.5036 0.0 0
M  V30 6 C 5.1961 2.25 0.0 0
M  V30 7 C 3.8971 0.0 0.0 0
M  V30 8 C 6.9998 3.874 0.0 0
M  V30 9 N 5.508 3.7172 0.0 0
M  V30 10 N 3.8971 1.5 0.0 0
M  V30 11 C 2.598 -0.75 0.0 0
M  V30 12 N 7.7498 5.173 0.0 0
M  V30 13 N 1.299 0.0 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 C -1.3703 -0.1398 0.0 0
M  V30 16 C -0.1567 -2.2417 0.0 0
M  V30 17 C -2.374 -1.2546 0.0 0
M  V30 18 C -1.6821 1.3273 0.0 0
M  V30 19 C -1.624 -2.5536 0.0 0
M  V30 20 C -3.1087 1.7908 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 18 20
M  V30 20 1 7 10
M  V30 21 1 8 9
M  V30 22 1 17 19
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000621286435

>  <name>
NA

>  <smiles>
CCC1CCCC1NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC001451300703
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 8.4176 -2.6159 0.0 0
M  V30 2 C 8.0108 -1.7024 0.0 0
M  V30 3 C 8.5108 -0.8364 0.0 0
M  V30 4 C 7.0327 -1.4945 0.0 0
M  V30 5 N 7.8417 -0.0932 0.0 0
M  V30 6 C 6.9282 -0.5 0.0 0
M  V30 7 C 6.0621 0.0 0.0 0
M  V30 8 O 6.0621 0.9999 0.0 0
M  V30 9 N 5.1961 -0.5 0.0 0
M  V30 10 C 4.3301 0.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 2.598 0.0 0.0 0
M  V30 13 C 3.4641 -1.5 0.0 0
M  V30 14 C 1.732 -0.5 0.0 0
M  V30 15 O 4.3301 -2.0 0.0 0
M  V30 16 O 1.732 -1.5 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 N 0.0 -0.5 0.0 0
M  V30 19 C -0.9135 -0.0932 0.0 0
M  V30 20 C -0.1045 -1.4945 0.0 0
M  V30 21 C -1.5826 -0.8364 0.0 0
M  V30 22 C -1.0826 -1.7024 0.0 0
M  V30 23 C -2.5771 -0.7318 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 5 6
M  V30 24 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001451300703

>  <name>
NA

>  <smiles>
CC1CCN(CC(=O)NC(CO)CNC(=O)c2cc(Cl)c[nH]2)C1

$$$$
ZINC000642514248
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 5.5621 0.866 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 F 6.9282 0.4999 0.0 0
M  V30 4 F 6.5621 -0.866 0.0 0
M  V30 5 C 5.1961 -0.5 0.0 0
M  V30 6 C 4.3301 0.0 0.0 0
M  V30 7 C 5.1961 -1.4999 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0
M  V30 9 C 4.3301 -1.9999 0.0 0
M  V30 10 N 2.598 0.0 0.0 0
M  V30 11 C 3.4641 -1.4999 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 O 1.732 -1.5 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 O 0.866 1.0 0.0 0
M  V30 16 N 0.0 -0.5 0.0 0
M  V30 17 C -0.9135 -0.0932 0.0 0
M  V30 18 C -0.1045 -1.4945 0.0 0
M  V30 19 C -1.5826 -0.8364 0.0 0
M  V30 20 C -1.0826 -1.7024 0.0 0
M  V30 21 C -2.5608 -1.0443 0.0 0
M  V30 22 C -1.7518 -2.4455 0.0 0
M  V30 23 N -3.3039 -0.3751 0.0 0
M  V30 24 C -2.6653 -2.0388 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 10 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 21 24
M  V30 24 1 9 11
M  V30 25 1 19 20
M  V30 26 1 22 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000642514248

>  <name>
NA

>  <smiles>
NC1CCC2CN(CC12)C(=O)C(=O)NC1CCCC(C1)C(F)(F)F

$$$$
ZINC000934670683
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 1.5 0.0 0
M  V30 2 C 4.3301 1.0 0.0 0
M  V30 3 C 3.4641 1.5 0.0 0
M  V30 4 C 4.3301 0.0 0.0 0
M  V30 5 C 2.598 0.9999 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 N 2.598 0.0 0.0 0
M  V30 8 C 2.3392 1.9659 0.0 0
M  V30 9 C 1.6321 0.7411 0.0 0
M  V30 10 C 1.732 -0.5 0.0 0
M  V30 11 C 1.3733 1.7071 0.0 0
M  V30 12 O 1.732 -1.5 0.0 0
M  V30 13 N 0.866 0.0 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0
M  V30 15 N -0.9135 -0.0932 0.0 0
M  V30 16 C -0.1045 -1.4945 0.0 0
M  V30 17 N -1.5826 -0.8364 0.0 0
M  V30 18 C -1.1214 0.8848 0.0 0 CFG=2
M  V30 19 C -1.0826 -1.7024 0.0 0
M  V30 20 C -0.3783 1.554 0.0 0
M  V30 21 C -2.0725 1.1939 0.0 0
M  V30 22 O -0.5862 2.5321 0.0 0
M  V30 23 C -2.2804 2.172 0.0 0
M  V30 24 C -1.5372 2.8411 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 1 8 11
M  V30 11 2 10 12
M  V30 12 1 10 13
M  V30 13 2 13 14 CFG=2
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 18 15 CFG=1
M  V30 18 2 16 19
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 6 7
M  V30 25 1 9 11
M  V30 26 1 17 19
M  V30 27 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 18)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000934670683

>  <name>
NA

>  <smiles>
O=C(N=c1cc[nH]n1C1CCCOC1)N1CCC(=O)CC11CCC1

$$$$
ZINC001644500933
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 -0.5 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 N 6.0621 0.9999 0.0 0
M  V30 4 C 5.1961 -0.4999 0.0 0
M  V30 5 N 6.8053 1.6691 0.0 0
M  V30 6 C 5.1961 1.4999 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 6.3985 2.5826 0.0 0
M  V30 9 N 5.404 2.4781 0.0 0
M  V30 10 N 4.3301 1.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 6.8985 3.4487 0.0 0
M  V30 13 N 2.598 0.0 0.0 0
M  V30 14 C 1.732 -0.5 0.0 0 CFG=2
M  V30 15 C 1.732 -1.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 0.866 -2.0 0.0 0
M  V30 18 C 2.598 -1.9999 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 C -0.866 0.0 0.0 0
M  V30 21 C 0.0 -1.4999 0.0 0
M  V30 22 C -1.732 -0.4999 0.0 0
M  V30 23 C -0.866 -1.9999 0.0 0
M  V30 24 C -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13 CFG=3
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 2 22 24
M  V30 24 1 7 10
M  V30 25 1 8 9
M  V30 26 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001644500933

>  <name>
NA

>  <smiles>
CC(C)C(Cc1ccccc1)NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC001447344686
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.4641 -1.5 0.0 0
M  V30 2 C 3.4641 -1.5 0.0 0
M  V30 3 F 3.4641 -2.4999 0.0 0
M  V30 4 F 4.4641 -1.5 0.0 0
M  V30 5 C 3.4641 -0.5 0.0 0
M  V30 6 C 2.598 0.0 0.0 0 CFG=2
M  V30 7 N 1.732 -0.5 0.0 0
M  V30 8 C 2.598 1.0 0.0 0
M  V30 9 C 0.866 0.0 0.0 0
M  V30 10 C 3.4641 1.5 0.0 0
M  V30 11 C 1.732 1.4999 0.0 0
M  V30 12 O 0.866 1.0 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0
M  V30 14 C 3.4641 2.5 0.0 0
M  V30 15 C 1.732 2.5 0.0 0
M  V30 16 C -0.866 0.0 0.0 0
M  V30 17 C 0.0 -1.4999 0.0 0
M  V30 18 C 2.598 3.0 0.0 0
M  V30 19 C -1.732 -0.4999 0.0 0
M  V30 20 C -0.866 -1.9999 0.0 0
M  V30 21 C 2.598 4.0 0.0 0
M  V30 22 O -2.598 0.0 0.0 0
M  V30 23 N -1.732 -1.4999 0.0 0
M  V30 24 C -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 6 5
M  V30 6 1 6 7 CFG=3
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 2 9 12
M  V30 12 1 9 13
M  V30 13 1 10 14
M  V30 14 2 11 15
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 2 14 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 1 19 23
M  V30 23 1 20 24
M  V30 24 1 15 18
M  V30 25 1 20 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001447344686

>  <name>
NA

>  <smiles>
Cc1ccc(cc1)C(CC(F)(F)F)NC(=O)c1cc(C)[nH]c(=O)c1

$$$$
ZINC001649906700
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -3.0 0.0 0
M  V30 2 C 2.598 -1.9999 0.0 0
M  V30 3 N 3.4641 -1.4999 0.0 0
M  V30 4 C 1.732 -1.4999 0.0 0
M  V30 5 N 4.4151 -1.809 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 C 5.0029 -0.9999 0.0 0
M  V30 9 N 4.4151 -0.1909 0.0 0
M  V30 10 N 2.598 0.0 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 N 6.0029 -0.9999 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C -0.866 0.0 0.0 0
M  V30 15 C 0.0 -1.4999 0.0 0
M  V30 16 C -1.732 -0.4999 0.0 0 CFG=2
M  V30 17 C -0.866 -1.9999 0.0 0
M  V30 18 C -1.732 -1.4999 0.0 0
M  V30 19 C -2.598 0.0 0.0 0
M  V30 20 C -2.598 -0.9999 0.0 0
M  V30 21 O -2.598 1.0 0.0 0
M  V30 22 C -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 16 14
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 1 16 20 CFG=1
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 7 10
M  V30 23 1 8 9
M  V30 24 1 17 18
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 16)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001649906700

>  <name>
NA

>  <smiles>
CCC1(CO)CCCN(Cc2cc(=O)n3[nH]c(=N)nc3[nH]2)C1

$$$$
ZINC001190470505
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 5.1961 -0.5 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 C 4.3301 1.0 0.0 0
M  V30 4 C 3.4641 -0.4999 0.0 0
M  V30 5 O 5.1961 1.5 0.0 0
M  V30 6 N 3.4641 1.5 0.0 0
M  V30 7 C 2.598 0.0 0.0 0
M  V30 8 C 2.598 1.0 0.0 0
M  V30 9 C 1.732 -0.5 0.0 0
M  V30 10 O 1.732 -1.5 0.0 0
M  V30 11 N 0.866 0.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 N -0.9135 -0.0932 0.0 0
M  V30 14 C -0.1045 -1.4945 0.0 0
M  V30 15 N -1.5826 -0.8364 0.0 0
M  V30 16 C -1.1214 0.8848 0.0 0
M  V30 17 C -1.0826 -1.7024 0.0 0
M  V30 18 C -0.3783 1.554 0.0 0
M  V30 19 C -2.0725 1.1939 0.0 0
M  V30 20 C -1.4894 -2.6159 0.0 0
M  V30 21 F 0.5727 1.2449 0.0 0
M  V30 22 C -0.5862 2.5321 0.0 0
M  V30 23 C -2.2804 2.172 0.0 0
M  V30 24 C -1.5372 2.8411 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 2 4
M  V30 4 2 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 2 11 12 CFG=2
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 18 22
M  V30 22 2 19 23
M  V30 23 2 22 24
M  V30 24 2 7 8
M  V30 25 1 15 17
M  V30 26 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001190470505

>  <name>
NA

>  <smiles>
Cc1cc(=NC(=O)c2c[nH]c(=O)c(Br)c2)n([nH]1)-c1ccccc1F

$$$$
ZINC000959341865
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.9535 -2.6159 0.0 0
M  V30 2 C 4.5467 -1.7024 0.0 0
M  V30 3 C 5.0467 -0.8364 0.0 0
M  V30 4 C 3.5686 -1.4945 0.0 0
M  V30 5 N 4.3776 -0.0932 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0
M  V30 7 C 2.598 0.0 0.0 0
M  V30 8 O 2.598 1.0 0.0 0
M  V30 9 N 1.732 -0.5 0.0 0
M  V30 10 C 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C -0.9135 -0.0932 0.0 0
M  V30 13 C -0.1045 -1.4945 0.0 0
M  V30 14 C -1.5826 -0.8364 0.0 0
M  V30 15 C -1.1214 0.8848 0.0 0
M  V30 16 N -1.0826 -1.7024 0.0 0
M  V30 17 C -1.4894 -2.6159 0.0 0
M  V30 18 O -2.4839 -2.7205 0.0 0
M  V30 19 C -0.9016 -3.4249 0.0 0
M  V30 20 O -1.2106 -4.376 0.0 0
M  V30 21 C 0.0983 -3.4249 0.0 0
M  V30 22 C -0.4016 -4.9638 0.0 0
M  V30 23 C 0.4073 -4.376 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 16 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 2 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 5 6
M  V30 24 1 14 16
M  V30 25 2 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000959341865

>  <name>
NA

>  <smiles>
CC1CN(CC1CNC(=O)c1cc(F)c[nH]1)C(=O)c1ccco1

$$$$
ZINC000427866048
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.8689 0.5 0.0 0
M  V30 2 C 5.8689 0.5 0.0 0
M  V30 3 N 5.2811 1.309 0.0 0
M  V30 4 N 5.2811 -0.309 0.0 0
M  V30 5 C 4.3301 1.0 0.0 0
M  V30 6 C 5.5902 2.26 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 5.5902 -1.26 0.0 0
M  V30 9 C 3.4641 1.4999 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.9999 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 O 1.732 1.4999 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 C -1.732 -1.4999 0.0 0
M  V30 23 C -2.598 0.0 0.0 0
M  V30 24 O -3.4641 -0.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 23 24
M  V30 24 2 5 7
M  V30 25 1 11 12
M  V30 26 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000427866048

>  <name>
NA

>  <smiles>
Cn1c2cc(O)c(NC(=O)c3cccc(CO)c3)cc2n(C)c1=O

$$$$
ZINC001445800204
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 3.4641 1.4999 0.0 0
M  V30 2 C 4.3301 1.0 0.0 0
M  V30 3 C 4.3301 0.0 0.0 0
M  V30 4 C 5.1961 1.5 0.0 0
M  V30 5 C 5.1961 -0.4999 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0
M  V30 7 C 6.0621 1.0 0.0 0
M  V30 8 F 5.1961 -1.4999 0.0 0
M  V30 9 C 6.0621 0.0 0.0 0
M  V30 10 O 3.4641 -1.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 1.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 O 0.866 1.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 N -0.9135 -0.0932 0.0 0
M  V30 18 C -0.1045 -1.4945 0.0 0
M  V30 19 C -1.5826 -0.8364 0.0 0
M  V30 20 C -1.0826 -1.7024 0.0 0
M  V30 21 C -2.5771 -0.7318 0.0 0
M  V30 22 O -2.9839 0.1816 0.0 0
M  V30 23 N -3.1649 -1.5408 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 5 9
M  V30 9 1 6 10
M  V30 10 1 6 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 16 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 21 22
M  V30 22 1 21 23
M  V30 23 1 7 9
M  V30 24 2 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001445800204

>  <name>
NA

>  <smiles>
CC(NC(=O)c1ccc([nH]1)C(N)=O)C(O)c1c(F)cccc1Cl

$$$$
ZINC001362946254
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 4.3301 0.0 0.0 0
M  V30 2 C 5.1961 -0.5 0.0 0
M  V30 3 C 3.4641 -0.5 0.0 0
M  V30 4 N 5.3006 -1.4945 0.0 0
M  V30 5 N 6.1096 -0.0932 0.0 0
M  V30 6 C 2.598 0.0 0.0 0
M  V30 7 N 6.2788 -1.7024 0.0 0
M  V30 8 C 6.7788 -0.8364 0.0 0
M  V30 9 O 2.598 1.0 0.0 0
M  V30 10 N 1.732 -0.5 0.0 0
M  V30 11 O 7.7733 -0.7318 0.0 0
M  V30 12 C 0.866 0.0 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0
M  V30 14 C -0.866 0.0 0.0 0
M  V30 15 C 0.0 -1.4999 0.0 0
M  V30 16 C -1.732 -0.4999 0.0 0
M  V30 17 C -0.866 1.0 0.0 0
M  V30 18 C -0.866 -1.9999 0.0 0
M  V30 19 C 0.866 -2.0 0.0 0
M  V30 20 C -1.732 -1.4999 0.0 0
M  V30 21 C -2.598 -1.9999 0.0 0
M  V30 22 O -2.598 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 2 8 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 15 19
M  V30 19 2 16 20
M  V30 20 1 20 21
M  V30 21 1 21 22
M  V30 22 1 7 8
M  V30 23 1 18 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001362946254

>  <name>
NA

>  <smiles>
Cc1cc(CO)cc(C)c1CNC(=O)CSc1n[nH]c(=O)[nH]1

$$$$
ZINC001272194652
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 8.9849 2.9373 0.0 0
M  V30 2 C 8.1759 2.3495 0.0 0
M  V30 3 C 7.2249 2.6586 0.0 0
M  V30 4 C 8.1759 1.3495 0.0 0
M  V30 5 C 6.6371 1.8495 0.0 0 CFG=2
M  V30 6 C 7.2249 1.0405 0.0 0
M  V30 7 C 5.6371 1.8495 0.0 0
M  V30 8 O 5.1371 2.7156 0.0 0
M  V30 9 N 5.1371 0.9835 0.0 0
M  V30 10 C 4.1712 0.7247 0.0 0
M  V30 11 C 5.3959 0.0176 0.0 0
M  V30 12 C 4.43 -0.2411 0.0 0
M  V30 13 N 3.4641 -0.5 0.0 0
M  V30 14 C 4.6888 -1.2071 0.0 0
M  V30 15 C 2.598 0.0 0.0 0
M  V30 16 C 3.7229 -1.4659 0.0 0
M  V30 17 O 2.598 1.0 0.0 0
M  V30 18 C 1.732 -0.5 0.0 0
M  V30 19 C 0.866 0.0 0.0 0
M  V30 20 C 0.0 -0.5 0.0 0
M  V30 21 N -0.9135 -0.0932 0.0 0
M  V30 22 C -0.1045 -1.4945 0.0 0
M  V30 23 C -1.5826 -0.8364 0.0 0
M  V30 24 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 3
M  V30 5 1 4 6
M  V30 6 1 5 7 CFG=3
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 2 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 5 6
M  V30 25 1 11 12
M  V30 26 1 14 16
M  V30 27 2 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001272194652

>  <name>
NA

>  <smiles>
O=C(CCc1ccc[nH]1)N1CCC11CN(C1)C(=O)C1CCC(=O)C1

$$$$
ZINC001559759980
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 -0.5 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 N 6.0621 0.9999 0.0 0
M  V30 4 C 5.1961 -0.4999 0.0 0
M  V30 5 N 6.8053 1.6691 0.0 0
M  V30 6 C 5.1961 1.4999 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 6.3985 2.5826 0.0 0
M  V30 9 N 5.404 2.4781 0.0 0
M  V30 10 N 4.3301 1.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 6.8985 3.4487 0.0 0
M  V30 13 N 2.598 0.0 0.0 0
M  V30 14 C 1.732 -0.5 0.0 0 CFG=2
M  V30 15 C 1.732 -1.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 2.598 -0.9999 0.0 0
M  V30 18 C 0.866 -1.9999 0.0 0
M  V30 19 C 2.598 -2.0 0.0 0
M  V30 20 O 0.0 -0.5 0.0 0
M  V30 21 C 0.866 -2.9999 0.0 0
M  V30 22 C 2.598 -3.0 0.0 0
M  V30 23 C 1.732 -3.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 14 17 CFG=1
M  V30 17 2 15 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 2 21 23
M  V30 23 1 7 10
M  V30 24 1 8 9
M  V30 25 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001559759980

>  <name>
NA

>  <smiles>
CC(CO)(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccccc1

$$$$
ZINC000775670639
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 5.1961 1.5 0.0 0
M  V30 2 C 6.0621 1.0 0.0 0
M  V30 3 C 6.0621 0.0 0.0 0
M  V30 4 C 6.9282 1.4999 0.0 0
M  V30 5 C 6.9282 -0.5 0.0 0
M  V30 6 C 5.1961 -0.5 0.0 0
M  V30 7 C 7.7942 1.0 0.0 0
M  V30 8 C 7.7942 0.0 0.0 0
M  V30 9 O 5.1961 -1.4999 0.0 0
M  V30 10 C 4.3301 0.0 0.0 0
M  V30 11 F 8.6602 1.5 0.0 0
M  V30 12 N 3.4641 -0.5 0.0 0
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 C 2.598 1.0 0.0 0
M  V30 15 C 1.732 -0.5 0.0 0
M  V30 16 C 3.4641 1.5 0.0 0
M  V30 17 C 1.732 1.4999 0.0 0
M  V30 18 O 1.732 -1.5 0.0 0
M  V30 19 O 0.866 0.0 0.0 0
M  V30 20 C 3.4641 2.5 0.0 0
M  V30 21 C 1.732 2.5 0.0 0
M  V30 22 C 0.0 -0.5 0.0 0
M  V30 23 O 4.3301 3.0 0.0 0
M  V30 24 C 2.598 3.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 2 17 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 2 20 24
M  V30 24 1 7 8
M  V30 25 1 21 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000775670639

>  <name>
NA

>  <smiles>
COC(=O)C(NCC(O)c1ccc(F)cc1Cl)c1cccc(O)c1

$$$$
ZINC001643086895
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 -2.9999 0.0 0
M  V30 2 C 4.3301 -1.9999 0.0 0
M  V30 3 N 5.1961 -1.4999 0.0 0
M  V30 4 C 3.4641 -1.4999 0.0 0
M  V30 5 N 6.1472 -1.809 0.0 0
M  V30 6 C 5.1961 -0.4999 0.0 0
M  V30 7 C 3.4641 -0.5 0.0 0
M  V30 8 C 6.7349 -0.9999 0.0 0
M  V30 9 N 6.1472 -0.1909 0.0 0
M  V30 10 N 4.3301 0.0 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 N 7.7349 -0.9999 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 0.866 0.0 0.0 0 CFG=2
M  V30 15 C 0.866 1.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 C 1.675 1.5877 0.0 0
M  V30 18 C 0.057 1.5877 0.0 0
M  V30 19 N 1.366 2.5388 0.0 0
M  V30 20 N 0.366 2.5388 0.0 0
M  V30 21 C -0.2217 3.3478 0.0 0
M  V30 22 C -1.2162 3.2433 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13 CFG=1
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 15 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 1 21 22
M  V30 22 1 7 10
M  V30 23 1 8 9
M  V30 24 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001643086895

>  <name>
NA

>  <smiles>
CCn1cc(cn1)C(C)NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC001177833419
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.4951 0.0 0.0 0
M  V30 2 C 5.1961 -0.75 0.0 0
M  V30 3 N 3.8971 0.0 0.0 0
M  V30 4 C 5.1961 -2.25 0.0 0
M  V30 5 C 2.598 -0.75 0.0 0
M  V30 6 N 3.9826 -3.1316 0.0 0
M  V30 7 C 6.4096 -3.1316 0.0 0
M  V30 8 C 1.299 0.0 0.0 0 CFG=2
M  V30 9 C 4.4461 -4.5582 0.0 0
M  V30 10 C 5.9461 -4.5582 0.0 0
M  V30 11 O 1.299 1.5 0.0 0
M  V30 12 C 0.0 -0.75 0.0 0
M  V30 13 C 3.6961 -5.8573 0.0 0
M  V30 14 C 6.6961 -5.8573 0.0 0
M  V30 15 N -1.3703 -0.1398 0.0 0
M  V30 16 C -0.1567 -2.2417 0.0 0
M  V30 17 C 4.4461 -7.1563 0.0 0
M  V30 18 C 5.9461 -7.1563 0.0 0
M  V30 19 C 8.1961 -5.8573 0.0 0
M  V30 20 C -2.374 -1.2546 0.0 0
M  V30 21 N -1.624 -2.5536 0.0 0
M  V30 22 C 6.6961 -8.4553 0.0 0
M  V30 23 C 8.9461 -7.1563 0.0 0
M  V30 24 C 8.1961 -8.4553 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 2 4 7
M  V30 7 1 8 5
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 1 8 11 CFG=1
M  V30 11 1 8 12
M  V30 12 1 9 13
M  V30 13 1 10 14
M  V30 14 1 12 15
M  V30 15 2 12 16
M  V30 16 2 13 17
M  V30 17 1 14 18
M  V30 18 2 14 19
M  V30 19 2 15 20
M  V30 20 1 16 21
M  V30 21 2 18 22
M  V30 22 1 19 23
M  V30 23 1 22 24
M  V30 24 2 9 10
M  V30 25 1 17 18
M  V30 26 1 20 21
M  V30 27 2 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001177833419

>  <name>
NA

>  <smiles>
OC(CNC(=O)c1cc2c(ccc3ccccc23)[nH]1)c1c[nH]cn1

$$$$
ZINC001210017081
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.598 8.25 0.0 0
M  V30 2 C 2.598 6.75 0.0 0
M  V30 3 C 1.299 6.0 0.0 0
M  V30 4 C 3.8971 6.0 0.0 0
M  V30 5 C 1.299 4.5 0.0 0
M  V30 6 C 3.8971 4.5 0.0 0
M  V30 7 O 0.0 3.75 0.0 0
M  V30 8 C 2.598 3.75 0.0 0
M  V30 9 N 2.598 2.25 0.0 0
M  V30 10 C 3.8971 1.5 0.0 0
M  V30 11 C 3.8971 0.0 0.0 0
M  V30 12 C 5.1961 2.25 0.0 0
M  V30 13 C 2.598 -0.75 0.0 0
M  V30 14 C 5.1961 -0.75 0.0 0
M  V30 15 C 6.4951 1.5 0.0 0
M  V30 16 O 2.598 -2.25 0.0 0
M  V30 17 N 1.299 0.0 0.0 0
M  V30 18 C 6.4951 0.0 0.0 0
M  V30 19 C 0.0 -0.75 0.0 0
M  V30 20 C -1.299 0.0 0.0 0
M  V30 21 C 0.0 -2.2499 0.0 0
M  V30 22 C -2.598 -0.7499 0.0 0
M  V30 23 C -1.299 -2.9999 0.0 0
M  V30 24 C -2.598 -2.2499 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 2 14 18
M  V30 18 1 17 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 2 22 24
M  V30 24 1 6 8
M  V30 25 1 15 18
M  V30 26 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001210017081

>  <name>
NA

>  <smiles>
Oc1cc(F)ccc1Nc1ccccc1C(=O)Nc1ccccc1

$$$$
ZINC001363486503
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 5.1961 -1.4999 0.0 0
M  V30 2 C 4.3301 -1.9999 0.0 0
M  V30 3 C 3.4641 -1.5 0.0 0
M  V30 4 C 4.3301 -2.9999 0.0 0
M  V30 5 C 2.598 -2.0 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0
M  V30 7 C 3.4641 -3.5 0.0 0
M  V30 8 C 2.598 -3.0 0.0 0
M  V30 9 N 2.598 0.0 0.0 0
M  V30 10 C 4.3301 0.0 0.0 0
M  V30 11 F 3.4641 -4.5 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 O 5.1961 -0.5 0.0 0
M  V30 14 O 1.732 -1.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 C 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C 1.732 1.4999 0.0 0
M  V30 19 C 0.0 1.4999 0.0 0
M  V30 20 C 1.732 2.5 0.0 0
M  V30 21 C 0.0 2.5 0.0 0
M  V30 22 O 2.598 3.0 0.0 0
M  V30 23 C 0.866 3.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 20 22
M  V30 22 2 20 23
M  V30 23 1 7 8
M  V30 24 1 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001363486503

>  <name>
NA

>  <smiles>
CC(C(=O)NC(CO)c1ccc(F)cc1F)c1cccc(O)c1

$$$$
ZINC001617094870
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.0621 -3.0 0.0 0
M  V30 2 C 6.0621 -2.0 0.0 0
M  V30 3 N 6.9282 -1.5 0.0 0
M  V30 4 C 5.1961 -1.4999 0.0 0
M  V30 5 N 7.8792 -1.809 0.0 0
M  V30 6 C 6.9282 -0.5 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 C 8.467 -1.0 0.0 0
M  V30 9 N 7.8792 -0.1909 0.0 0
M  V30 10 N 6.0621 0.0 0.0 0
M  V30 11 C 4.3301 0.0 0.0 0
M  V30 12 N 9.467 -1.0 0.0 0
M  V30 13 N 3.4641 -0.5 0.0 0
M  V30 14 C 2.598 0.0 0.0 0 CFG=2
M  V30 15 C 2.598 1.0 0.0 0
M  V30 16 C 1.732 -0.5 0.0 0
M  V30 17 O 3.407 1.5877 0.0 0
M  V30 18 C 1.789 1.5877 0.0 0
M  V30 19 O 0.866 0.0 0.0 0
M  V30 20 C 3.098 2.5388 0.0 0
M  V30 21 C 2.098 2.5388 0.0 0
M  V30 22 C 0.0 -0.5 0.0 0
M  V30 23 C 3.6858 3.3478 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13 CFG=1
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 7 10
M  V30 24 1 8 9
M  V30 25 2 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001617094870

>  <name>
NA

>  <smiles>
COCC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccc(C)o1

$$$$
ZINC000133142154
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.0621 -2.0 0.0 0
M  V30 2 C 5.1961 -1.5 0.0 0
M  V30 3 C 5.1961 -0.5 0.0 0
M  V30 4 C 4.3301 -1.9999 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0
M  V30 6 C 3.4641 -1.4999 0.0 0
M  V30 7 N 4.3301 0.9999 0.0 0
M  V30 8 C 3.4641 -0.4999 0.0 0
M  V30 9 C 3.4641 1.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 O 3.4641 2.5 0.0 0
M  V30 12 C 2.598 0.9999 0.0 0
M  V30 13 C 1.732 -0.5 0.0 0
M  V30 14 O 1.732 -1.5 0.0 0
M  V30 15 N 0.866 0.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 C -0.9135 -0.0932 0.0 0
M  V30 18 C -0.1045 -1.4945 0.0 0
M  V30 19 O -1.1214 0.8848 0.0 0
M  V30 20 C -1.5826 -0.8364 0.0 0
M  V30 21 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 6 8
M  V30 22 2 10 12
M  V30 23 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000133142154

>  <name>
NA

>  <smiles>
OC(NC1CCCC1O)c1cc(=O)[nH]c2cc(F)ccc12

$$$$
ZINC001429976109
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 10.5932 2.598 0.0 0
M  V30 2 C 9.8432 1.299 0.0 0
M  V30 3 F 9.0932 2.598 0.0 0
M  V30 4 C 9.0932 0.0 0.0 0
M  V30 5 C 10.5932 0.0 0.0 0
M  V30 6 C 7.7942 -0.75 0.0 0
M  V30 7 O 7.7942 -2.25 0.0 0
M  V30 8 N 6.4952 0.0 0.0 0
M  V30 9 C 5.1961 -0.75 0.0 0
M  V30 10 C 3.8971 0.0 0.0 0
M  V30 11 N 2.598 -0.75 0.0 0
M  V30 12 C 3.8971 1.5 0.0 0
M  V30 13 C 1.299 0.0 0.0 0
M  V30 14 C 4.6471 2.799 0.0 0
M  V30 15 C 3.1471 2.799 0.0 0
M  V30 16 O 1.299 1.5 0.0 0
M  V30 17 C 0.0 -0.75 0.0 0
M  V30 18 N -1.3703 -0.1398 0.0 0
M  V30 19 C -0.1567 -2.2417 0.0 0
M  V30 20 C -2.374 -1.2546 0.0 0
M  V30 21 C -1.624 -2.5536 0.0 0
M  V30 22 C -3.8412 -1.5664 0.0 0
M  V30 23 C -2.6277 -3.6683 0.0 0
M  V30 24 C -3.998 -3.0582 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 4 6
M  V30 6 2 6 7
M  V30 7 1 6 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 22 24
M  V30 24 1 4 5
M  V30 25 1 14 15
M  V30 26 2 20 21
M  V30 27 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001429976109

>  <name>
NA

>  <smiles>
FC1(F)CC1C(=O)NCC(NC(=O)c1cc2CCCc2[nH]1)C1CC1

$$$$
ZINC001210015636
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.4951 -3.0 0.0 0
M  V30 2 C 5.1961 -2.2499 0.0 0
M  V30 3 C 5.1961 -0.75 0.0 0
M  V30 4 C 3.8971 -2.9999 0.0 0
M  V30 5 C 3.8971 0.0 0.0 0
M  V30 6 C 2.598 -2.25 0.0 0
M  V30 7 O 3.8971 1.5 0.0 0
M  V30 8 C 2.598 -0.75 0.0 0
M  V30 9 N 1.299 0.0 0.0 0
M  V30 10 C 0.0 -0.75 0.0 0
M  V30 11 N -1.3703 -0.1398 0.0 0
M  V30 12 C -0.1567 -2.2417 0.0 0
M  V30 13 N -2.374 -1.2546 0.0 0
M  V30 14 C -1.6821 1.3273 0.0 0
M  V30 15 C -1.624 -2.5536 0.0 0
M  V30 16 C -0.5674 2.331 0.0 0
M  V30 17 C -3.1087 1.7908 0.0 0
M  V30 18 C -0.8793 3.7982 0.0 0
M  V30 19 C -3.4206 3.258 0.0 0
M  V30 20 C -2.3059 4.2617 0.0 0
M  V30 21 C 0.2353 4.8019 0.0 0
M  V30 22 F -0.7683 5.9166 0.0 0
M  V30 23 F 1.35 5.8056 0.0 0
M  V30 24 F 1.239 3.6872 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 8 9
M  V30 9 2 9 10 CFG=2
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 21 22
M  V30 22 1 21 23
M  V30 23 1 21 24
M  V30 24 1 6 8
M  V30 25 1 13 15
M  V30 26 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001210015636

>  <name>
NA

>  <smiles>
Oc1cc(F)ccc1N=c1cc[nH]n1-c1cccc(c1)C(F)(F)F

$$$$
ZINC000680349067
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 0.8965 2.846 0.0 0
M  V30 2 C 0.1894 2.1389 0.0 0
M  V30 3 C 0.4482 1.173 0.0 0
M  V30 4 C -0.7764 2.3977 0.0 0
M  V30 5 C -0.2588 0.4659 0.0 0
M  V30 6 C -1.4835 1.6906 0.0 0
M  V30 7 C -1.2247 0.7247 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.4999 -1.366 0.0 0
M  V30 11 C -0.9999 -0.5 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 O 2.598 0.0 0.0 0
M  V30 14 C 1.732 -1.5 0.0 0
M  V30 15 C 2.598 -1.9999 0.0 0
M  V30 16 C 0.866 -1.9999 0.0 0
M  V30 17 C 2.598 -2.9999 0.0 0
M  V30 18 C 0.866 -3.0 0.0 0
M  V30 19 O 3.4641 -3.4999 0.0 0
M  V30 20 N 1.732 -3.5 0.0 0
M  V30 21 C 0.0 -3.5 0.0 0
M  V30 22 C -0.866 -3.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 21 22
M  V30 22 1 6 7
M  V30 23 1 10 11
M  V30 24 1 18 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000680349067

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CC1)c1cccc(F)c1

$$$$
ZINC001188282290
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 2.598 -0.75 0.0 0
M  V30 2 C 3.8971 0.0 0.0 0
M  V30 3 C 1.299 0.0 0.0 0
M  V30 4 N 5.1961 -0.7499 0.0 0
M  V30 5 N 3.8971 1.4999 0.0 0
M  V30 6 C 0.0 -0.75 0.0 0
M  V30 7 C 6.4951 0.0 0.0 0
M  V30 8 C 5.1961 2.25 0.0 0
M  V30 9 C 2.598 2.2499 0.0 0
M  V30 10 C -1.299 0.0 0.0 0
M  V30 11 C 0.0 -2.2499 0.0 0
M  V30 12 C 6.4951 1.5 0.0 0
M  V30 13 C 7.7942 -0.7499 0.0 0
M  V30 14 O 5.1961 3.75 0.0 0
M  V30 15 F -1.299 1.5 0.0 0
M  V30 16 C -2.598 -0.7499 0.0 0
M  V30 17 C -1.299 -2.9999 0.0 0
M  V30 18 C 7.7942 2.25 0.0 0
M  V30 19 C 9.0932 0.0 0.0 0
M  V30 20 C -2.598 -2.2499 0.0 0
M  V30 21 C -1.299 -4.4999 0.0 0
M  V30 22 C 9.0932 1.5 0.0 0
M  V30 23 O 0.0 -5.2499 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 2 6 10
M  V30 10 1 6 11
M  V30 11 2 7 12
M  V30 12 1 7 13
M  V30 13 2 8 14
M  V30 14 1 10 15
M  V30 15 1 10 16
M  V30 16 2 11 17
M  V30 17 1 12 18
M  V30 18 2 13 19
M  V30 19 2 16 20
M  V30 20 1 17 21
M  V30 21 2 18 22
M  V30 22 1 21 23
M  V30 23 1 8 12
M  V30 24 1 17 20
M  V30 25 1 19 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001188282290

>  <name>
NA

>  <smiles>
Cn1c(SCc2cc(CO)ccc2F)nc2ccccc2c1=O

$$$$
ZINC000123599081
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.0621 -2.0 0.0 0
M  V30 2 C 5.1961 -1.5 0.0 0
M  V30 3 C 5.1961 -0.5 0.0 0
M  V30 4 C 4.3301 -1.9999 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0
M  V30 6 C 3.4641 -1.4999 0.0 0
M  V30 7 N 4.3301 0.9999 0.0 0
M  V30 8 C 3.4641 -0.4999 0.0 0
M  V30 9 C 3.4641 1.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 O 3.4641 2.5 0.0 0
M  V30 12 C 2.598 0.9999 0.0 0
M  V30 13 C 1.732 -0.5 0.0 0 CFG=2
M  V30 14 O 1.732 -1.5 0.0 0
M  V30 15 N 0.866 0.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 N -0.9135 -0.0932 0.0 0
M  V30 18 C -0.1045 -1.4945 0.0 0
M  V30 19 N -1.5826 -0.8364 0.0 0
M  V30 20 C -1.1214 0.8848 0.0 0
M  V30 21 C -1.0826 -1.7024 0.0 0
M  V30 22 C -1.4894 -2.6159 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 13 10
M  V30 13 1 13 14 CFG=3
M  V30 14 1 13 15
M  V30 15 2 15 16 CFG=2
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 21 22
M  V30 22 1 6 8
M  V30 23 2 10 12
M  V30 24 1 19 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000123599081

>  <name>
NA

>  <smiles>
Cc1cc(=NC(O)c2cc(=O)[nH]c3cc(F)ccc23)n(C)[nH]1

$$$$
ZINC000621321725
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.7499 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 N 7.6099 2.5036 0.0 0
M  V30 6 C 5.1961 2.25 0.0 0
M  V30 7 C 3.8971 0.0 0.0 0
M  V30 8 C 6.9998 3.874 0.0 0
M  V30 9 N 5.508 3.7172 0.0 0
M  V30 10 N 3.8971 1.5 0.0 0
M  V30 11 C 2.598 -0.75 0.0 0
M  V30 12 N 7.7498 5.173 0.0 0
M  V30 13 N 1.299 0.0 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 C -1.3703 -0.1398 0.0 0
M  V30 16 C -0.1567 -2.2417 0.0 0
M  V30 17 C 1.258 -1.5669 0.0 0
M  V30 18 C -2.374 -1.2546 0.0 0
M  V30 19 C -1.624 -2.5536 0.0 0
M  V30 20 C 1.1795 -3.0649 0.0 0
M  V30 21 C 2.4375 -3.8818 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 2 20 21
M  V30 21 1 7 10
M  V30 22 1 8 9
M  V30 23 1 18 19
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000621321725

>  <name>
NA

>  <smiles>
C=CCC1(CCCC1)NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC001407695528
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 8.0108 -1.7024 0.0 0
M  V30 2 C 8.5108 -0.8364 0.0 0
M  V30 3 C 7.0327 -1.4945 0.0 0
M  V30 4 O 9.5054 -0.7318 0.0 0
M  V30 5 N 7.8417 -0.0932 0.0 0
M  V30 6 C 6.9282 -0.5 0.0 0
M  V30 7 C 6.0621 0.0 0.0 0
M  V30 8 O 6.0621 0.9999 0.0 0
M  V30 9 N 5.1961 -0.5 0.0 0
M  V30 10 C 4.3301 0.0 0.0 0 CFG=2
M  V30 11 C 4.3301 1.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0
M  V30 13 C 4.8301 1.866 0.0 0
M  V30 14 C 3.8301 1.866 0.0 0
M  V30 15 N 2.598 0.0 0.0 0
M  V30 16 C 1.732 -0.5 0.0 0
M  V30 17 O 1.732 -1.5 0.0 0
M  V30 18 C 0.866 0.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 N -0.9135 -0.0932 0.0 0
M  V30 21 N -0.1045 -1.4945 0.0 0
M  V30 22 N -1.5826 -0.8364 0.0 0
M  V30 23 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 10 9 CFG=1
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 15 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 5 6
M  V30 24 1 13 14
M  V30 25 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 10)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001407695528

>  <name>
NA

>  <smiles>
O=C(Cc1nc[nH]n1)NCC(NC(=O)c1csc(=O)[nH]1)C1CC1

$$$$
ZINC000128949545
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 8.6393 0.2318 0.0 0
M  V30 2 C 7.6448 0.3364 0.0 0
M  V30 3 C 7.1448 1.2024 0.0 0
M  V30 4 C 6.9757 -0.4067 0.0 0
M  V30 5 N 6.1667 0.9945 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 O 5.1961 -1.4999 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 11 C 3.4641 -1.5 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 C 2.9641 -2.366 0.0 0
M  V30 14 C 3.9641 -2.366 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 O 0.866 1.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 N -0.9135 -0.0932 0.0 0
M  V30 20 C -0.1045 -1.4945 0.0 0
M  V30 21 C -1.5826 -0.8364 0.0 0
M  V30 22 C -1.0826 -1.7024 0.0 0
M  V30 23 Cl -1.4894 -2.6159 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 10 9 CFG=3
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 15 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 2 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 22 23
M  V30 23 1 5 6
M  V30 24 1 13 14
M  V30 25 2 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 10)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000128949545

>  <name>
NA

>  <smiles>
Clc1c[nH]c(c1)C(=O)NCC(NC(=O)c1cc(Cl)c[nH]1)C1CC1

$$$$
ZINC001642222007
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 19 20 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 2.4999 0.0 0
M  V30 2 C 5.1961 1.4999 0.0 0
M  V30 3 C 4.3301 1.0 0.0 0
M  V30 4 C 6.0621 0.9999 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 N 5.1961 -0.5 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0
M  V30 9 N 2.598 0.0 0.0 0
M  V30 10 C 1.732 -0.5 0.0 0
M  V30 11 O 1.732 -1.5 0.0 0
M  V30 12 C 0.866 0.0 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0
M  V30 14 C -0.866 0.0 0.0 0
M  V30 15 C 0.0 -1.4999 0.0 0
M  V30 16 C -1.732 -0.4999 0.0 0
M  V30 17 C -0.866 -1.9999 0.0 0
M  V30 18 C -1.732 -1.4999 0.0 0
M  V30 19 O -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 2 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 2 16 18
M  V30 18 1 18 19
M  V30 19 1 6 7
M  V30 20 1 17 18
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001642222007

>  <name>
NA

>  <smiles>
Oc1ccc(CC(=O)NCc2cc(=O)cc[nH]2)cc1

$$$$
ZINC001640131061
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.75 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 C 5.1961 2.25 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0
M  V30 7 C 5.1961 -2.25 0.0 0
M  V30 8 C 3.8971 1.5 0.0 0
M  V30 9 C 5.1961 3.75 0.0 0
M  V30 10 C 2.598 -0.75 0.0 0
M  V30 11 C 2.598 2.25 0.0 0
M  V30 12 C 3.8971 4.5 0.0 0
M  V30 13 O 2.598 -2.25 0.0 0
M  V30 14 N 1.299 0.0 0.0 0
M  V30 15 C 2.598 3.7499 0.0 0
M  V30 16 C 0.0 -0.75 0.0 0
M  V30 17 C -1.299 0.0 0.0 0
M  V30 18 C 0.0 -2.2499 0.0 0
M  V30 19 C -2.598 -0.7499 0.0 0
M  V30 20 C -1.299 -2.9999 0.0 0
M  V30 21 C -2.598 -2.2499 0.0 0
M  V30 22 C -3.8971 -2.9999 0.0 0
M  V30 23 O -3.8971 -4.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 4 7
M  V30 7 2 5 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 8 11
M  V30 11 2 9 12
M  V30 12 2 10 13
M  V30 13 1 10 14
M  V30 14 2 11 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 2 19 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 6 8
M  V30 24 1 12 15
M  V30 25 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001640131061

>  <name>
NA

>  <smiles>
Cc1c(C(=O)Nc2ccc(CO)cc2)c2ccccc2[nH]c1=O

$$$$
ZINC000015721895
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 -1.4999 0.0 0
M  V30 2 C 6.9282 -0.5 0.0 0
M  V30 3 N 7.7942 0.0 0.0 0
M  V30 4 C 6.0621 0.0 0.0 0 CFG=1
M  V30 5 C 8.6602 -0.5 0.0 0
M  V30 6 N 5.1961 -0.5 0.0 0
M  V30 7 C 6.0621 1.0 0.0 0
M  V30 8 C 9.5262 0.0 0.0 0
M  V30 9 C 4.3301 0.0 0.0 0
M  V30 10 C 6.9282 1.5 0.0 0
M  V30 11 O 10.3923 -0.5 0.0 0
M  V30 12 O 9.5262 1.0 0.0 0
M  V30 13 O 4.3301 1.0 0.0 0
M  V30 14 C 3.4641 -0.5 0.0 0
M  V30 15 N 7.0327 2.4945 0.0 0
M  V30 16 C 7.8417 1.0932 0.0 0
M  V30 17 N 2.598 0.0 0.0 0
M  V30 18 C 8.0108 2.7024 0.0 0
M  V30 19 N 8.5108 1.8364 0.0 0
M  V30 20 C 1.732 -0.5 0.0 0
M  V30 21 O 1.732 -1.5 0.0 0
M  V30 22 C 0.866 0.0 0.0 0
M  V30 23 N 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 4 2
M  V30 4 1 3 5
M  V30 5 1 4 6 CFG=1
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 2 8 11
M  V30 11 1 8 12
M  V30 12 2 9 13
M  V30 13 1 9 14
M  V30 14 1 10 15
M  V30 15 2 10 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 2 20 21
M  V30 21 1 20 22
M  V30 22 1 22 23
M  V30 23 1 18 19
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 4)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000015721895

>  <name>
NA

>  <smiles>
NCC(=O)NCC(=O)NC(Cc1c[nH]cn1)C(=O)NCC(O)=O

$$$$
ZINC001642665743
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.0621 -3.0 0.0 0
M  V30 2 C 6.0621 -2.0 0.0 0
M  V30 3 N 6.9282 -1.5 0.0 0
M  V30 4 C 5.1961 -1.4999 0.0 0
M  V30 5 N 7.8792 -1.809 0.0 0
M  V30 6 C 6.9282 -0.5 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 C 8.467 -1.0 0.0 0
M  V30 9 N 7.8792 -0.1909 0.0 0
M  V30 10 N 6.0621 0.0 0.0 0
M  V30 11 C 4.3301 0.0 0.0 0
M  V30 12 N 9.467 -1.0 0.0 0
M  V30 13 N 3.4641 -0.5 0.0 0
M  V30 14 C 2.598 0.0 0.0 0 CFG=2
M  V30 15 C 2.598 1.0 0.0 0
M  V30 16 C 1.732 -0.5 0.0 0
M  V30 17 O 3.407 1.5877 0.0 0
M  V30 18 C 1.789 1.5877 0.0 0
M  V30 19 O 0.866 0.0 0.0 0
M  V30 20 C 3.098 2.5388 0.0 0
M  V30 21 C 2.098 2.5388 0.0 0
M  V30 22 C 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13 CFG=1
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 7 10
M  V30 23 1 8 9
M  V30 24 2 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001642665743

>  <name>
NA

>  <smiles>
COCC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccco1

$$$$
ZINC001351139619
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 -2.9999 0.0 0
M  V30 2 C 4.3301 -1.9999 0.0 0
M  V30 3 N 5.1961 -1.4999 0.0 0
M  V30 4 C 3.4641 -1.4999 0.0 0
M  V30 5 N 6.1472 -1.809 0.0 0
M  V30 6 C 5.1961 -0.4999 0.0 0
M  V30 7 C 3.4641 -0.5 0.0 0
M  V30 8 C 6.7349 -0.9999 0.0 0
M  V30 9 N 6.1472 -0.1909 0.0 0
M  V30 10 N 4.3301 0.0 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 N 7.7349 -0.9999 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 0.866 0.0 0.0 0 CFG=2
M  V30 15 C 0.866 1.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 C 1.732 1.4999 0.0 0
M  V30 18 C 0.0 1.4999 0.0 0
M  V30 19 C -1.0 -0.4999 0.0 0
M  V30 20 C -0.5 -1.366 0.0 0
M  V30 21 C 1.732 2.5 0.0 0
M  V30 22 C 0.0 2.5 0.0 0
M  V30 23 C 0.866 3.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13 CFG=1
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 16 20
M  V30 20 1 17 21
M  V30 21 2 18 22
M  V30 22 2 21 23
M  V30 23 1 7 10
M  V30 24 1 8 9
M  V30 25 1 19 20
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001351139619

>  <name>
NA

>  <smiles>
N=c1nc2[nH]c(CNC(C3CC3)c3ccccc3)cc(=O)n2[nH]1

$$$$
ZINC000185143246
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 7.7942 3.75 0.0 0
M  V30 2 C 7.7942 2.25 0.0 0
M  V30 3 C 6.4952 1.5 0.0 0
M  V30 4 C 9.0932 1.5 0.0 0
M  V30 5 C 6.4952 0.0 0.0 0
M  V30 6 C 9.0932 0.0 0.0 0
M  V30 7 C 7.7942 -0.75 0.0 0
M  V30 8 C 5.1961 -0.75 0.0 0 CFG=1
M  V30 9 O 4.4461 -2.049 0.0 0
M  V30 10 C 3.8971 0.0 0.0 0
M  V30 11 C 5.9461 -2.049 0.0 0
M  V30 12 N 2.598 -0.75 0.0 0
M  V30 13 C 1.299 0.0 0.0 0
M  V30 14 O 1.299 1.5 0.0 0
M  V30 15 C 0.0 -0.75 0.0 0
M  V30 16 C -1.299 0.0 0.0 0
M  V30 17 C 0.0 -2.25 0.0 0
M  V30 18 C -2.598 -0.75 0.0 0
M  V30 19 C -1.299 -3.0 0.0 0
M  V30 20 O -3.8971 0.0 0.0 0
M  V30 21 N -2.598 -2.25 0.0 0
M  V30 22 C -1.299 -4.5 0.0 0
M  V30 23 C 0.0 -5.25 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 5
M  V30 8 1 8 9 CFG=1
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 22 23
M  V30 23 1 6 7
M  V30 24 1 19 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000185143246

>  <name>
NA

>  <smiles>
CCc1cc(cc(=O)[nH]1)C(=O)NCC(C)(O)c1cccc(Cl)c1

$$$$
ZINC001415263882
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 8.4176 -2.6159 0.0 0
M  V30 2 C 8.0108 -1.7024 0.0 0
M  V30 3 N 8.5108 -0.8364 0.0 0
M  V30 4 N 7.0327 -1.4945 0.0 0
M  V30 5 C 7.8417 -0.0932 0.0 0
M  V30 6 C 9.5054 -0.7318 0.0 0
M  V30 7 C 6.9282 -0.5 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 O 6.0621 0.9999 0.0 0
M  V30 10 N 5.1961 -0.5 0.0 0
M  V30 11 C 4.3301 0.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 13 N 2.598 0.0 0.0 0
M  V30 14 C 3.4641 -1.5 0.0 0
M  V30 15 C 1.732 -0.5 0.0 0
M  V30 16 O 1.732 -1.5 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 N -0.9135 -0.0932 0.0 0
M  V30 20 C -0.1045 -1.4945 0.0 0
M  V30 21 N -1.5826 -0.8364 0.0 0
M  V30 22 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 12 11
M  V30 12 1 12 13 CFG=3
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 2 5 7
M  V30 23 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001415263882

>  <name>
NA

>  <smiles>
CC(CNC(=O)c1cn(C)c(=O)[nH]1)NC(=O)Cc1cc[nH]n1

$$$$
ZINC000359777349
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 6.4951 0.0 0.0 0
M  V30 2 O 7.2451 -1.299 0.0 0
M  V30 3 O 5.7451 1.299 0.0 0
M  V30 4 C 5.1961 -0.75 0.0 0
M  V30 5 C 7.7942 0.7499 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0 CFG=1
M  V30 7 C 2.598 -0.75 0.0 0
M  V30 8 C 3.8971 1.5 0.0 0
M  V30 9 O 2.598 -2.25 0.0 0
M  V30 10 N 1.299 0.0 0.0 0
M  V30 11 C 0.0 -0.75 0.0 0
M  V30 12 C -1.299 0.0 0.0 0
M  V30 13 C 0.0 -2.2499 0.0 0
M  V30 14 O -1.299 1.5 0.0 0
M  V30 15 C -2.598 -0.7499 0.0 0
M  V30 16 C -1.299 -2.9999 0.0 0
M  V30 17 C -2.598 -2.2499 0.0 0
M  V30 18 N -1.6109 -4.4672 0.0 0
M  V30 19 N -3.7127 -3.2536 0.0 0
M  V30 20 C -3.1026 -4.624 0.0 0
M  V30 21 C -0.6072 -5.5819 0.0 0
M  V30 22 C -5.18 -2.9418 0.0 0
M  V30 23 O -3.8526 -5.923 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 2 1 3
M  V30 3 1 1 4
M  V30 4 1 1 5
M  V30 5 1 6 4
M  V30 6 1 6 7
M  V30 7 1 6 8 CFG=1
M  V30 8 2 7 9
M  V30 9 1 7 10
M  V30 10 1 10 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 2 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 16 17
M  V30 24 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000359777349

>  <name>
NA

>  <smiles>
CC(CS(C)(=O)=O)C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1O

$$$$
ZINC001412982487
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 6.1667 0.9945 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 C 7.1448 1.2024 0.0 0
M  V30 4 C 5.1961 -0.5 0.0 0
M  V30 5 C 6.9757 -0.4067 0.0 0
M  V30 6 C 7.6448 0.3364 0.0 0
M  V30 7 O 5.1961 -1.4999 0.0 0
M  V30 8 N 4.3301 0.0 0.0 0
M  V30 9 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 10 C 3.4641 -1.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 O 4.3301 -2.0 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 O 0.866 1.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 N -0.9135 -0.0932 0.0 0
M  V30 18 C -0.1045 -1.4945 0.0 0
M  V30 19 N -1.5826 -0.8364 0.0 0
M  V30 20 C -1.0826 -1.7024 0.0 0
M  V30 21 C -1.4894 -2.6159 0.0 0
M  V30 22 F -2.4839 -2.7205 0.0 0
M  V30 23 F -0.9016 -3.4249 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 2 4
M  V30 4 2 2 5
M  V30 5 2 3 6
M  V30 6 2 4 7
M  V30 7 1 4 8
M  V30 8 1 9 8 CFG=3
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 20 21
M  V30 21 1 21 22
M  V30 22 1 21 23
M  V30 23 1 5 6
M  V30 24 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001412982487

>  <name>
NA

>  <smiles>
OCC(CNC(=O)c1cc([nH]n1)C(F)F)NC(=O)c1cccs1

$$$$
ZINC000855918613
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.4641 2.5 0.0 0
M  V30 2 C 3.4641 2.5 0.0 0
M  V30 3 F 3.4641 3.5 0.0 0
M  V30 4 F 4.4641 2.5 0.0 0
M  V30 5 C 3.4641 1.5 0.0 0
M  V30 6 C 2.598 1.0 0.0 0
M  V30 7 C 4.3301 1.0 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 C 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.4999 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0 CFG=1
M  V30 12 O 1.732 -1.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 O 0.866 1.0 0.0 0
M  V30 15 N 0.0 -0.5 0.0 0
M  V30 16 C -0.8262 0.0633 0.0 0
M  V30 17 C 0.0747 -1.4972 0.0 0
M  V30 18 C -1.7818 -0.2314 0.0 0
M  V30 19 C -0.6583 -2.1773 0.0 0
M  V30 20 N -2.1471 -1.1623 0.0 0
M  V30 21 C -1.6471 -2.0283 0.0 0
M  V30 22 C -3.1443 -1.237 0.0 0
M  V30 23 O -2.2104 -2.8545 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 11 8
M  V30 11 1 11 12 CFG=1
M  V30 12 1 11 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 9 10
M  V30 24 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000855918613

>  <name>
NA

>  <smiles>
CN1CCN(CCC1=O)C(=O)C(O)c1cccc(c1)C(F)(F)F

$$$$
ZINC000026100400
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 5.2811 1.309 0.0 0
M  V30 2 C 4.3301 1.0 0.0 0
M  V30 3 C 5.8689 0.5 0.0 0
M  V30 4 C 3.4641 1.5 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0
M  V30 6 C 5.2811 -0.309 0.0 0
M  V30 7 O 3.4641 2.5 0.0 0
M  V30 8 N 2.598 0.9999 0.0 0
M  V30 9 N 3.4641 -0.4999 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 C 1.732 1.4999 0.0 0
M  V30 12 S 1.732 -0.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0
M  V30 15 C -0.866 0.0 0.0 0
M  V30 16 C 0.0 -1.4999 0.0 0
M  V30 17 C -1.732 -0.4999 0.0 0
M  V30 18 C -0.866 -1.9999 0.0 0
M  V30 19 C -1.732 -1.4999 0.0 0
M  V30 20 C -2.598 0.0 0.0 0
M  V30 21 F -3.098 -0.866 0.0 0
M  V30 22 F -3.4641 0.5 0.0 0
M  V30 23 F -2.098 0.866 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 2 4
M  V30 4 2 2 5
M  V30 5 2 3 6
M  V30 6 2 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 1 20 23
M  V30 23 1 5 6
M  V30 24 2 9 10
M  V30 25 1 18 19
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000026100400

>  <name>
NA

>  <smiles>
Cn1c(SCc2cccc(c2)C(F)(F)F)nc2ccsc2c1=O

$$$$
ZINC001704626451
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 7.8139 1.9455 0.0 0
M  V30 2 C 7.1448 1.2024 0.0 0
M  V30 3 C 8.7275 1.5388 0.0 0
M  V30 4 N 6.1667 0.9945 0.0 0
M  V30 5 C 7.6448 0.3364 0.0 0
M  V30 6 C 8.623 0.5443 0.0 0
M  V30 7 C 6.0621 0.0 0.0 0
M  V30 8 C 6.9757 -0.4067 0.0 0
M  V30 9 C 5.1961 -0.5 0.0 0
M  V30 10 O 5.1961 -1.4999 0.0 0
M  V30 11 N 4.3301 0.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 C 3.4641 -1.5 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 4.3301 -2.0 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 O 0.866 1.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 C -0.9135 -0.0932 0.0 0
M  V30 21 C -0.1045 -1.4945 0.0 0
M  V30 22 O -1.5826 -0.8364 0.0 0
M  V30 23 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 2 4
M  V30 4 2 2 5
M  V30 5 2 3 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 12 11 CFG=1
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 5 6
M  V30 24 2 7 8
M  V30 25 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001704626451

>  <name>
NA

>  <smiles>
CCC(CNC(=O)c1ccoc1)NC(=O)c1cc2ccsc2[nH]1

$$$$
ZINC001473419894
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.56 0.8716 0.0 0
M  V30 2 C 6.8909 0.1284 0.0 0
M  V30 3 N 7.1999 -0.8225 0.0 0
M  V30 4 C 5.9128 0.3364 0.0 0
M  V30 5 C 6.5308 -1.5657 0.0 0
M  V30 6 N 5.4128 1.2024 0.0 0
M  V30 7 N 5.2436 -0.4067 0.0 0
M  V30 8 C 5.5526 -1.3577 0.0 0
M  V30 9 N 4.4346 0.9945 0.0 0
M  V30 10 C 4.3301 0.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 2.598 0.0 0.0 0
M  V30 13 C 2.598 1.0 0.0 0
M  V30 14 C 1.732 -0.5 0.0 0
M  V30 15 C 1.789 1.5877 0.0 0
M  V30 16 C 3.407 1.5877 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 O 0.838 1.2787 0.0 0
M  V30 19 N 2.098 2.5388 0.0 0
M  V30 20 C 3.098 2.5388 0.0 0
M  V30 21 C 0.0 -0.5 0.0 0
M  V30 22 C 1.5102 3.3478 0.0 0
M  V30 23 O 3.6858 3.3478 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 2 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 15 19
M  V30 19 2 16 20
M  V30 20 1 17 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 7 8
M  V30 24 2 9 10
M  V30 25 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001473419894

>  <name>
NA

>  <smiles>
CCCN(Cc1nnc2n1cc[nH]c2=O)c1cc(O)n(C)c1O

$$$$
ZINC001210019613
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.3301 -1.9999 0.0 0
M  V30 2 C 3.4641 -1.4999 0.0 0
M  V30 3 C 3.4641 -0.5 0.0 0
M  V30 4 C 2.598 -1.9999 0.0 0
M  V30 5 C 2.598 0.0 0.0 0
M  V30 6 C 1.732 -1.5 0.0 0
M  V30 7 O 2.598 1.0 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C 0.0 -0.5 0.0 0
M  V30 11 C -0.866 0.0 0.0 0
M  V30 12 C 0.0 -1.4999 0.0 0
M  V30 13 N -0.866 1.0 0.0 0
M  V30 14 C -1.732 -0.4999 0.0 0
M  V30 15 C -0.866 -1.9999 0.0 0
M  V30 16 C -1.732 1.5 0.0 0
M  V30 17 C -1.732 -1.4999 0.0 0
M  V30 18 C -2.598 0.0 0.0 0
M  V30 19 O -1.732 2.5 0.0 0
M  V30 20 C -2.598 1.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 14 18
M  V30 18 2 16 19
M  V30 19 1 16 20
M  V30 20 1 6 8
M  V30 21 1 15 17
M  V30 22 1 18 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001210019613

>  <name>
NA

>  <smiles>
Oc1cc(F)ccc1Nc1cccc2CCC(=O)Nc12

$$$$
ZINC001416201193
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 5.4235 1.6636 0.0 0
M  V30 2 C 6.1667 0.9945 0.0 0
M  V30 3 C 6.0621 0.0 0.0 0
M  V30 4 C 7.1448 1.2024 0.0 0
M  V30 5 O 6.9757 -0.4067 0.0 0
M  V30 6 C 5.1961 -0.5 0.0 0
M  V30 7 C 7.6448 0.3364 0.0 0
M  V30 8 O 5.1961 -1.4999 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 C 3.4641 -1.5 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 4.3301 -2.0 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.9135 -0.0932 0.0 0
M  V30 19 C -0.1045 -1.4945 0.0 0
M  V30 20 C -1.5826 -0.8364 0.0 0
M  V30 21 C -1.0826 -1.7024 0.0 0
M  V30 22 C -1.4894 -2.6159 0.0 0
M  V30 23 N -1.8961 -3.5295 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 6 8
M  V30 8 1 6 9
M  V30 9 1 10 9 CFG=1
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 3 22 23
M  V30 23 1 5 7
M  V30 24 2 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 10)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001416201193

>  <name>
NA

>  <smiles>
CCC(CNC(=O)c1cc(c[nH]1)C#N)NC(=O)c1occc1Cl

$$$$
ZINC001545514787
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 9.0932 1.5 0.0 0
M  V30 2 C 9.0932 0.0 0.0 0
M  V30 3 C 7.7942 -0.75 0.0 0
M  V30 4 C 10.3923 -0.75 0.0 0
M  V30 5 C 7.7942 -2.25 0.0 0
M  V30 6 C 6.4952 0.0 0.0 0
M  V30 7 C 10.3923 -2.25 0.0 0
M  V30 8 C 9.0932 -3.0 0.0 0
M  V30 9 O 6.4952 1.5 0.0 0
M  V30 10 C 5.1961 -0.75 0.0 0
M  V30 11 Cl 11.6913 -3.0 0.0 0
M  V30 12 N 3.8971 0.0 0.0 0
M  V30 13 C 2.598 -0.75 0.0 0
M  V30 14 O 2.598 -2.25 0.0 0
M  V30 15 C 1.299 0.0 0.0 0
M  V30 16 O 2.049 1.299 0.0 0
M  V30 17 C 0.0 -0.75 0.0 0
M  V30 18 C 0.549 1.299 0.0 0
M  V30 19 C -1.299 0.0 0.0 0
M  V30 20 C 0.0 -2.25 0.0 0
M  V30 21 C -2.598 -0.75 0.0 0
M  V30 22 C -1.299 -3.0 0.0 0
M  V30 23 C -2.598 -2.25 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 2 21 23
M  V30 23 1 7 8
M  V30 24 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001545514787

>  <name>
NA

>  <smiles>
CC(O)(C(=O)NCC(O)c1ccc(Cl)cc1Cl)c1ccccc1

$$$$
ZINC001646008876
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.348 0.549 0.0 0
M  V30 2 C 2.598 -0.75 0.0 0
M  V30 3 F 3.8971 -1.5 0.0 0
M  V30 4 F 1.848 -2.049 0.0 0
M  V30 5 C 1.299 0.0 0.0 0
M  V30 6 O 1.299 1.5 0.0 0
M  V30 7 C 0.0 -0.75 0.0 0
M  V30 8 N -1.3703 -0.1398 0.0 0
M  V30 9 C -0.1567 -2.2417 0.0 0
M  V30 10 C -2.374 -1.2546 0.0 0
M  V30 11 C -1.6821 1.3273 0.0 0
M  V30 12 C -1.624 -2.5536 0.0 0
M  V30 13 C -3.1087 1.7908 0.0 0
M  V30 14 N -3.4206 3.258 0.0 0
M  V30 15 C -4.2234 0.7871 0.0 0
M  V30 16 C -4.8472 3.7215 0.0 0
M  V30 17 C -5.65 1.2506 0.0 0
M  V30 18 N -5.4573 5.0919 0.0 0
M  V30 19 N -5.9619 2.7179 0.0 0
M  V30 20 O -6.7647 0.2469 0.0 0
M  V30 21 C -6.9491 4.9351 0.0 0
M  V30 22 N -7.2609 3.4679 0.0 0
M  V30 23 N -7.9528 6.0498 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 5 6
M  V30 6 1 5 7
M  V30 7 1 7 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 21 23
M  V30 23 1 10 12
M  V30 24 1 17 19
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001646008876

>  <name>
NA

>  <smiles>
OC(C1CCCN1Cc1cc(=O)n2[nH]c(=N)nc2[nH]1)C(F)(F)F

$$$$
ZINC001363389855
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 6.9282 1.4999 0.0 0
M  V30 2 C 6.0621 0.9999 0.0 0
M  V30 3 C 5.1961 1.4999 0.0 0
M  V30 4 C 6.0621 0.0 0.0 0
M  V30 5 C 4.3301 0.9999 0.0 0
M  V30 6 C 5.1961 -0.5 0.0 0
M  V30 7 F 3.4641 1.5 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 10 O 3.4641 -1.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 O 2.598 1.0 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 N -0.866 0.0 0.0 0
M  V30 17 C 0.0 -1.4999 0.0 0
M  V30 18 C -1.732 -0.4999 0.0 0
M  V30 19 C -0.866 -1.9999 0.0 0
M  V30 20 C -1.732 -1.4999 0.0 0
M  V30 21 O -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 9 8
M  V30 9 1 9 10 CFG=1
M  V30 10 1 9 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 2 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 2 19 21
M  V30 21 1 6 8
M  V30 22 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001363389855

>  <name>
NA

>  <smiles>
OC(C(=O)NCc1cc(=O)cc[nH]1)c1ccc(Cl)cc1F

$$$$
ZINC001560084486
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 -2.9999 0.0 0
M  V30 2 C 4.3301 -1.9999 0.0 0
M  V30 3 N 5.1961 -1.4999 0.0 0
M  V30 4 C 3.4641 -1.4999 0.0 0
M  V30 5 N 6.1472 -1.809 0.0 0
M  V30 6 C 5.1961 -0.4999 0.0 0
M  V30 7 C 3.4641 -0.5 0.0 0
M  V30 8 C 6.7349 -0.9999 0.0 0
M  V30 9 N 6.1472 -0.1909 0.0 0
M  V30 10 N 4.3301 0.0 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 N 7.7349 -0.9999 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 0.866 0.0 0.0 0 CFG=2
M  V30 15 C 0.866 1.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 N 1.675 1.5877 0.0 0
M  V30 18 C 0.057 1.5877 0.0 0
M  V30 19 N 1.366 2.5388 0.0 0
M  V30 20 C 2.626 1.2787 0.0 0
M  V30 21 C 0.366 2.5388 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13 CFG=1
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 15 18
M  V30 18 1 17 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 7 10
M  V30 22 1 8 9
M  V30 23 2 19 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001560084486

>  <name>
NA

>  <smiles>
CC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccnn1C

$$$$
ZINC001141871337
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.0977 -3.4249 0.0 0
M  V30 2 N 6.6855 -2.6159 0.0 0 CHG=1
M  V30 3 O 7.68 -2.7205 0.0 0 CHG=-1
M  V30 4 C 6.2788 -1.7024 0.0 0
M  V30 5 N 6.7788 -0.8364 0.0 0
M  V30 6 C 5.3006 -1.4945 0.0 0
M  V30 7 C 6.1096 -0.0932 0.0 0
M  V30 8 N 5.1961 -0.5 0.0 0
M  V30 9 C 6.3176 0.8848 0.0 0
M  V30 10 C 4.3301 0.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 O 2.598 1.0 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 N -0.866 0.0 0.0 0
M  V30 18 C 0.0 -1.4999 0.0 0
M  V30 19 C -1.732 -0.4999 0.0 0
M  V30 20 C -0.866 -1.9999 0.0 0
M  V30 21 C -1.732 -1.4999 0.0 0
M  V30 22 O -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 4 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 7 8
M  V30 23 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001141871337

>  <name>
NA

>  <smiles>
Cc1nc(cn1CCC(=O)NCc1cc(=O)cc[nH]1)[N+]([O-])=O

$$$$
ZINC001320857169
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 11.199 -1.0 0.0 0
M  V30 2 C 10.199 -1.0 0.0 0
M  V30 3 N 9.6113 -0.1909 0.0 0
M  V30 4 N 9.6113 -1.809 0.0 0
M  V30 5 C 8.6602 -0.5 0.0 0
M  V30 6 C 9.9203 0.76 0.0 0
M  V30 7 C 8.6602 -1.5 0.0 0
M  V30 8 C 9.9203 -2.76 0.0 0
M  V30 9 C 7.7942 0.0 0.0 0
M  V30 10 C 7.7942 -2.0 0.0 0
M  V30 11 C 6.9282 -0.5 0.0 0
M  V30 12 C 6.9282 -1.4999 0.0 0
M  V30 13 N 6.0621 0.0 0.0 0
M  V30 14 C 5.1961 -0.5 0.0 0
M  V30 15 O 5.1961 -1.4999 0.0 0
M  V30 16 C 4.3301 0.0 0.0 0
M  V30 17 O 4.3301 1.0 0.0 0
M  V30 18 N 3.4641 -0.5 0.0 0
M  V30 19 C 2.598 0.0 0.0 0
M  V30 20 C 1.732 -0.5 0.0 0
M  V30 21 C 0.866 0.0 0.0 0
M  V30 22 O 0.866 1.0 0.0 0
M  V30 23 N 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 2 21 22
M  V30 22 1 21 23
M  V30 23 2 5 7
M  V30 24 1 11 12
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001320857169

>  <name>
NA

>  <smiles>
Cn1c2ccc(NC(=O)C(=O)NCCC(N)=O)cc2n(C)c1=O

$$$$
ZINC000423781657
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 4.3301 -4.9999 0.0 0
M  V30 2 C 3.4641 -4.5 0.0 0
M  V30 3 C 3.4641 -3.5 0.0 0
M  V30 4 C 2.598 -5.0 0.0 0
M  V30 5 C 2.598 -3.0 0.0 0
M  V30 6 C 1.732 -4.4999 0.0 0
M  V30 7 C 1.732 -3.5 0.0 0
M  V30 8 C 2.598 -2.0 0.0 0 CFG=1
M  V30 9 O 3.4641 -1.5 0.0 0
M  V30 10 C 1.732 -1.5 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 O 0.866 1.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 C -0.866 0.0 0.0 0
M  V30 18 C 0.0 -1.4999 0.0 0
M  V30 19 C -1.732 -0.4999 0.0 0
M  V30 20 C -0.866 -1.9999 0.0 0
M  V30 21 N -1.732 -1.4999 0.0 0
M  V30 22 C -2.598 0.0 0.0 0
M  V30 23 N -3.4641 -0.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 5 CFG=3
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 22 23
M  V30 23 1 6 7
M  V30 24 1 12 13
M  V30 25 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000423781657

>  <name>
NA

>  <smiles>
NCc1cc(ccn1)C(=O)N1CCOC(C1)c1cccc(Cl)c1

$$$$
ZINC001414393863
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.1961 2.5 0.0 0
M  V30 2 C 5.1961 2.4999 0.0 0
M  V30 3 F 5.1961 3.4999 0.0 0
M  V30 4 F 6.1961 2.4999 0.0 0
M  V30 5 C 5.1961 1.4999 0.0 0
M  V30 6 C 4.3301 1.0 0.0 0
M  V30 7 C 6.0621 0.9999 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 C 6.0621 0.0 0.0 0
M  V30 10 N 3.4641 -0.5 0.0 0
M  V30 11 C 5.1961 -0.5 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 O 2.598 1.0 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 N -0.9135 -0.0932 0.0 0
M  V30 18 N -0.1045 -1.4945 0.0 0
M  V30 19 N -1.5826 -0.8364 0.0 0
M  V30 20 C -1.0826 -1.7024 0.0 0
M  V30 21 C -1.4894 -2.6159 0.0 0
M  V30 22 O -0.9016 -3.4249 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 1 8 10
M  V30 10 2 8 11
M  V30 11 1 10 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 20 21
M  V30 21 1 21 22
M  V30 22 1 9 11
M  V30 23 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001414393863

>  <name>
NA

>  <smiles>
OCc1nc(CNC(=O)Nc2cccc(c2)C(F)(F)F)n[nH]1

$$$$
ZINC001412969426
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 7.0222 -4.1703 0.0 0
M  V30 2 C 6.2723 -2.8713 0.0 0
M  V30 3 F 7.7722 -2.8713 0.0 0
M  V30 4 C 5.884 -1.4224 0.0 0
M  V30 5 C 4.8234 -3.2595 0.0 0
M  V30 6 C 4.4352 -1.8106 0.0 0
M  V30 7 C 4.0469 -0.3617 0.0 0
M  V30 8 C 2.9863 -2.1988 0.0 0
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 1.299 0.0 0.0 0
M  V30 11 C 0.0 -0.75 0.0 0
M  V30 12 N -1.299 0.0 0.0 0
M  V30 13 C 0.0 -2.25 0.0 0
M  V30 14 C -2.598 -0.75 0.0 0
M  V30 15 C -1.299 -3.0 0.0 0
M  V30 16 N -4.0246 -0.2864 0.0 0
M  V30 17 N -2.598 -2.25 0.0 0
M  V30 18 O -1.299 -4.5 0.0 0
M  V30 19 C -4.9063 -1.5 0.0 0
M  V30 20 N -4.0246 -2.7135 0.0 0
M  V30 21 N -6.4063 -1.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 4 6
M  V30 6 1 6 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 2 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 2 19 21
M  V30 21 1 5 6
M  V30 22 1 8 9
M  V30 23 1 15 17
M  V30 24 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001412969426

>  <name>
NA

>  <smiles>
FC1(F)CC2(CN(Cc3cc(=O)n4[nH]c(=N)nc4[nH]3)C2)C1

$$$$
ZINC001459992551
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.0621 -3.0 0.0 0
M  V30 2 C 6.0621 -2.0 0.0 0
M  V30 3 N 6.9282 -1.5 0.0 0
M  V30 4 C 5.1961 -1.4999 0.0 0
M  V30 5 N 7.8792 -1.809 0.0 0
M  V30 6 C 6.9282 -0.5 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 C 8.467 -1.0 0.0 0
M  V30 9 N 7.8792 -0.1909 0.0 0
M  V30 10 N 6.0621 0.0 0.0 0
M  V30 11 C 4.3301 0.0 0.0 0
M  V30 12 N 9.467 -1.0 0.0 0
M  V30 13 N 3.4641 -0.5 0.0 0
M  V30 14 C 2.598 0.0 0.0 0 CFG=2
M  V30 15 C 2.598 1.0 0.0 0
M  V30 16 C 1.732 -0.5 0.0 0
M  V30 17 O 3.407 1.5877 0.0 0
M  V30 18 C 1.789 1.5877 0.0 0
M  V30 19 C 0.866 0.0 0.0 0
M  V30 20 C 3.098 2.5388 0.0 0
M  V30 21 C 2.098 2.5388 0.0 0
M  V30 22 O 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13 CFG=1
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 7 10
M  V30 23 1 8 9
M  V30 24 2 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001459992551

>  <name>
NA

>  <smiles>
OCCC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccco1

$$$$
ZINC001438295085
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 9.5262 -3.0 0.0 0
M  V30 2 C 9.5262 -1.9999 0.0 0
M  V30 3 N 10.3923 -1.4999 0.0 0
M  V30 4 C 8.6602 -1.4999 0.0 0
M  V30 5 C 10.3923 -0.4999 0.0 0
M  V30 6 C 8.6602 -0.5 0.0 0
M  V30 7 C 9.5262 0.0 0.0 0
M  V30 8 C 7.7942 0.0 0.0 0
M  V30 9 O 7.7942 0.9999 0.0 0
M  V30 10 N 6.9282 -0.5 0.0 0
M  V30 11 C 6.0621 0.0 0.0 0
M  V30 12 C 5.1961 -0.5 0.0 0
M  V30 13 N 4.3301 0.0 0.0 0
M  V30 14 C 5.1961 -1.5 0.0 0
M  V30 15 C 3.4641 -0.5 0.0 0
M  V30 16 C 6.0621 -2.0 0.0 0
M  V30 17 C 2.598 0.0 0.0 0
M  V30 18 O 2.598 1.0 0.0 0
M  V30 19 N 1.732 -0.5 0.0 0
M  V30 20 C 0.866 0.0 0.0 0
M  V30 21 C 0.866 1.0 0.0 0
M  V30 22 C 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 1 6 7
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001438295085

>  <name>
NA

>  <smiles>
CCC(CNC(=O)C1CCNC(=O)C1)NCC(=O)NC(C)C

$$$$
ZINC001364693422
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 -0.5 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 N 6.0621 0.9999 0.0 0
M  V30 4 C 5.1961 -0.4999 0.0 0
M  V30 5 N 6.8053 1.6691 0.0 0
M  V30 6 C 5.1961 1.4999 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 6.3985 2.5826 0.0 0
M  V30 9 N 5.404 2.4781 0.0 0
M  V30 10 N 4.3301 1.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 6.8985 3.4487 0.0 0
M  V30 13 N 2.598 0.0 0.0 0
M  V30 14 C 1.732 -0.5 0.0 0 CFG=2
M  V30 15 C 1.732 -1.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 0.866 -1.9999 0.0 0
M  V30 18 C 2.598 -2.0 0.0 0
M  V30 19 O 0.0 -0.5 0.0 0
M  V30 20 C 0.866 -2.9999 0.0 0
M  V30 21 C 2.598 -3.0 0.0 0
M  V30 22 O 1.732 -3.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13 CFG=3
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 20 22
M  V30 22 1 7 10
M  V30 23 1 8 9
M  V30 24 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001364693422

>  <name>
NA

>  <smiles>
OCC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)C1CCOCC1

$$$$
ZINC000910402479
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 3.4641 -4.5 0.0 0
M  V30 2 C 3.4641 -3.5 0.0 0
M  V30 3 C 4.3301 -3.0 0.0 0
M  V30 4 C 2.598 -3.0 0.0 0
M  V30 5 C 4.3301 -1.9999 0.0 0
M  V30 6 C 2.598 -2.0 0.0 0
M  V30 7 C 3.4641 -1.5 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 C 5.1961 -0.5 0.0 0
M  V30 12 C 4.3301 1.0 0.0 0
M  V30 13 O 2.598 1.0 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 N -0.866 0.0 0.0 0
M  V30 18 C 0.0 -1.4999 0.0 0
M  V30 19 C -1.732 -0.4999 0.0 0
M  V30 20 C -0.866 -1.9999 0.0 0
M  V30 21 C -1.732 -1.4999 0.0 0
M  V30 22 O -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 7
M  V30 8 1 8 9 CFG=3
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 9 12
M  V30 12 2 10 13
M  V30 13 1 10 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 6 7
M  V30 23 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000910402479

>  <name>
NA

>  <smiles>
CN(C)C(C(=O)NCc1cc(=O)cc[nH]1)c1ccc(Cl)cc1

$$$$
ZINC000680342923
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br -1.0352 3.3637 0.0 0
M  V30 2 C -0.7764 2.3977 0.0 0
M  V30 3 C 0.1894 2.1389 0.0 0
M  V30 4 C -1.4835 1.6906 0.0 0
M  V30 5 C 0.4482 1.173 0.0 0
M  V30 6 C -1.2247 0.7247 0.0 0
M  V30 7 C -0.2588 0.4659 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.4999 -1.366 0.0 0
M  V30 11 C -0.9999 -0.5 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 O 2.598 0.0 0.0 0
M  V30 14 C 1.732 -1.5 0.0 0
M  V30 15 C 0.866 -2.0 0.0 0
M  V30 16 C 2.598 -1.9999 0.0 0
M  V30 17 C 0.866 -3.0 0.0 0
M  V30 18 C 2.598 -2.9999 0.0 0
M  V30 19 O 0.0 -3.5 0.0 0
M  V30 20 N 1.732 -3.5 0.0 0
M  V30 21 C 3.4641 -3.4999 0.0 0
M  V30 22 C 4.3301 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 21 22
M  V30 22 1 6 7
M  V30 23 1 10 11
M  V30 24 1 18 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000680342923

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CC1)c1ccc(Br)cc1

$$$$
ZINC000843682207
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 0.6442 4.8478 0.0 0
M  V30 2 C 1.232 4.0388 0.0 0
M  V30 3 O 2.232 4.0388 0.0 0
M  V30 4 C 0.923 3.0877 0.0 0
M  V30 5 C 2.541 3.0877 0.0 0
M  V30 6 C 1.732 2.4999 0.0 0 CFG=1
M  V30 7 C 1.732 1.4999 0.0 0
M  V30 8 C 0.866 0.9999 0.0 0
M  V30 9 O 0.0 1.5 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C 0.7933 -1.1087 0.0 0
M  V30 13 C -0.9659 -0.2411 0.0 0
M  V30 14 C -0.2588 -1.4659 0.0 0
M  V30 15 C 0.6628 -2.1002 0.0 0
M  V30 16 C 1.7172 -0.726 0.0 0
M  V30 17 C -1.2247 -1.2071 0.0 0
M  V30 18 C 1.4561 -2.7089 0.0 0
M  V30 19 C 2.5105 -1.3348 0.0 0
M  V30 20 C 2.38 -2.3262 0.0 0
M  V30 21 C 1.3256 -3.7004 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 1 6 7 CFG=1
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 13 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 5 6
M  V30 22 1 14 17
M  V30 23 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000843682207

>  <name>
NA

>  <smiles>
Cc1cccc(c1)C1(CCC1)NC(=O)CC1COC(=O)C1

$$$$
ZINC000423783865
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 4.3301 -4.9999 0.0 0
M  V30 2 C 3.4641 -4.5 0.0 0
M  V30 3 C 3.4641 -3.5 0.0 0
M  V30 4 C 2.598 -5.0 0.0 0
M  V30 5 C 2.598 -3.0 0.0 0
M  V30 6 C 1.732 -4.4999 0.0 0
M  V30 7 C 1.732 -3.5 0.0 0
M  V30 8 C 2.598 -2.0 0.0 0 CFG=1
M  V30 9 O 3.4641 -1.5 0.0 0
M  V30 10 C 1.732 -1.5 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 O 0.866 1.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 C -0.9135 -0.0932 0.0 0
M  V30 18 C -0.1045 -1.4945 0.0 0
M  V30 19 O -1.5826 -0.8364 0.0 0
M  V30 20 C -1.0826 -1.7024 0.0 0
M  V30 21 C -1.4894 -2.6159 0.0 0
M  V30 22 N -0.9016 -3.4249 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 5 CFG=3
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 20 21
M  V30 21 1 21 22
M  V30 22 1 6 7
M  V30 23 1 12 13
M  V30 24 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000423783865

>  <name>
NA

>  <smiles>
NCc1cc(co1)C(=O)N1CCOC(C1)c1cccc(Cl)c1

$$$$
ZINC000621266801
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -3.0 0.0 0
M  V30 2 C 2.598 -1.9999 0.0 0
M  V30 3 N 3.4641 -1.4999 0.0 0
M  V30 4 C 1.732 -1.4999 0.0 0
M  V30 5 N 4.4151 -1.809 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 C 5.0029 -0.9999 0.0 0
M  V30 9 N 4.4151 -0.1909 0.0 0
M  V30 10 N 2.598 0.0 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 N 6.0029 -0.9999 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 C -1.5826 -0.8364 0.0 0
M  V30 17 C -1.2225 0.8577 0.0 0
M  V30 18 C -1.0826 -1.7024 0.0 0
M  V30 19 C -2.5608 -0.6284 0.0 0
M  V30 20 C -2.2007 1.0657 0.0 0
M  V30 21 C -1.8916 -2.2902 0.0 0
M  V30 22 C -0.9781 -2.6969 0.0 0
M  V30 23 C -2.8698 0.3225 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 18 22
M  V30 22 2 19 23
M  V30 23 1 7 10
M  V30 24 1 8 9
M  V30 25 1 16 18
M  V30 26 1 20 23
M  V30 27 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000621266801

>  <name>
NA

>  <smiles>
N=c1nc2[nH]c(CN3CC4(CC4)c4ccccc34)cc(=O)n2[nH]1

$$$$
ZINC001454284138
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.8147 -3.4344 0.0 0
M  V30 2 C 3.3147 -2.5684 0.0 0
M  V30 3 N 4.3147 -2.5684 0.0 0
M  V30 4 C 2.8147 -1.7024 0.0 0
M  V30 5 C 4.8147 -1.7024 0.0 0
M  V30 6 C 3.3147 -0.8364 0.0 0
M  V30 7 C 1.8365 -1.4945 0.0 0
M  V30 8 N 4.3147 -0.8364 0.0 0
M  V30 9 C 5.8147 -1.7024 0.0 0
M  V30 10 C 2.6455 -0.0932 0.0 0
M  V30 11 N 1.732 -0.5 0.0 0
M  V30 12 C 0.866 0.0 0.0 0
M  V30 13 O 0.866 1.0 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0
M  V30 15 C -0.866 0.0 0.0 0
M  V30 16 C 0.0 -1.4999 0.0 0
M  V30 17 C -1.732 -0.4999 0.0 0
M  V30 18 C -0.866 -1.9999 0.0 0
M  V30 19 C -2.598 0.0 0.0 0
M  V30 20 C -1.732 -1.4999 0.0 0
M  V30 21 C -3.4641 0.5 0.0 0
M  V30 22 C -4.3301 1.0 0.0 0
M  V30 23 O -5.1961 0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 2 3 5
M  V30 5 2 4 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 11 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 2 17 20
M  V30 20 3 19 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 6 8
M  V30 24 1 10 11
M  V30 25 1 18 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001454284138

>  <name>
NA

>  <smiles>
Cc1nc(=O)c2CN(Cc2[nH]1)C(=O)c1cccc(c1)C#CCO

$$$$
ZINC001450673976
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.8689 0.5 0.0 0
M  V30 2 C 5.8689 0.5 0.0 0
M  V30 3 N 5.2811 1.309 0.0 0
M  V30 4 N 5.2811 -0.309 0.0 0
M  V30 5 C 4.3301 1.0 0.0 0
M  V30 6 C 5.5902 2.26 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 5.5902 -1.26 0.0 0
M  V30 9 C 3.4641 1.4999 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.9999 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 O 1.732 1.4999 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.9135 -0.0932 0.0 0
M  V30 19 C -0.1045 -1.4945 0.0 0
M  V30 20 N -1.5826 -0.8364 0.0 0
M  V30 21 C -1.0826 -1.7024 0.0 0
M  V30 22 C -2.5771 -0.7318 0.0 0
M  V30 23 O -1.4894 -2.6159 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 2 5 7
M  V30 24 1 11 12
M  V30 25 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001450673976

>  <name>
NA

>  <smiles>
Cn1[nH]c(cc1=O)C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1O

$$$$
ZINC001408312071
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.5515 2.1159 0.0 0
M  V30 2 C 7.1448 1.2024 0.0 0
M  V30 3 N 6.1667 0.9945 0.0 0
M  V30 4 N 7.6448 0.3364 0.0 0
M  V30 5 C 6.0621 0.0 0.0 0
M  V30 6 C 6.9757 -0.4067 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 O 5.1961 -1.4999 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 1.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 O 0.866 1.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 N -0.9135 -0.0932 0.0 0
M  V30 18 C -0.1045 -1.4945 0.0 0
M  V30 19 C -1.5826 -0.8364 0.0 0
M  V30 20 C -1.0826 -1.7024 0.0 0
M  V30 21 C -2.5608 -1.0443 0.0 0
M  V30 22 C -1.7518 -2.4455 0.0 0
M  V30 23 C -2.6653 -2.0388 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 16 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 5 6
M  V30 24 2 19 20
M  V30 25 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001408312071

>  <name>
NA

>  <smiles>
CC(CNC(O)c1c[nH]c(=O)[nH]1)NC(=O)c1cc2CCCc2[nH]1

$$$$
ZINC000665042643
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.9282 1.4999 0.0 0
M  V30 2 C 6.0621 0.9999 0.0 0
M  V30 3 C 5.1961 1.4999 0.0 0
M  V30 4 C 6.0621 0.0 0.0 0
M  V30 5 C 4.3301 0.9999 0.0 0
M  V30 6 C 5.1961 -0.5 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0
M  V30 9 N 2.598 0.0 0.0 0
M  V30 10 C 1.732 -0.5 0.0 0
M  V30 11 O 1.732 -1.5 0.0 0
M  V30 12 C 0.866 0.0 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 C -1.1214 0.8848 0.0 0
M  V30 17 C -1.5826 -0.8364 0.0 0
M  V30 18 C -1.0826 -1.7024 0.0 0
M  V30 19 O -0.3783 1.554 0.0 0
M  V30 20 N -2.0725 1.1939 0.0 0
M  V30 21 O -1.4894 -2.6159 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 1 16 20
M  V30 20 1 18 21
M  V30 21 1 6 7
M  V30 22 1 17 18
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000665042643

>  <name>
NA

>  <smiles>
NC(=O)C1CC(O)CN1CC(=O)NCc1ccc(F)cc1

$$$$
ZINC001364779358
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 -2.9999 0.0 0
M  V30 2 C 4.3301 -1.9999 0.0 0
M  V30 3 N 5.1961 -1.5 0.0 0
M  V30 4 C 3.4641 -1.5 0.0 0
M  V30 5 C 5.1961 -0.5 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0
M  V30 7 N 4.3301 0.0 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 C 2.598 0.0 0.0 0
M  V30 10 C 7.0621 0.0 0.0 0
M  V30 11 C 6.5621 0.866 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 O 0.866 1.0 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 N -0.866 0.0 0.0 0
M  V30 17 C 0.0 -1.4999 0.0 0
M  V30 18 C -1.732 -0.4999 0.0 0
M  V30 19 C -0.866 -1.9999 0.0 0
M  V30 20 O -2.598 0.0 0.0 0
M  V30 21 C -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 2 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 6 7
M  V30 22 1 10 11
M  V30 23 2 19 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001364779358

>  <name>
NA

>  <smiles>
O=C(NCc1cc(=O)[nH]c(n1)C1CC1)c1cccc(=O)[nH]1

$$$$
ZINC001169822374
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 -2.9999 0.0 0
M  V30 2 C 4.3301 -1.9999 0.0 0
M  V30 3 N 5.1961 -1.4999 0.0 0
M  V30 4 C 3.4641 -1.4999 0.0 0
M  V30 5 N 6.1472 -1.809 0.0 0
M  V30 6 C 5.1961 -0.4999 0.0 0
M  V30 7 C 3.4641 -0.5 0.0 0
M  V30 8 C 6.7349 -0.9999 0.0 0
M  V30 9 N 6.1472 -0.1909 0.0 0
M  V30 10 N 4.3301 0.0 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 N 7.7349 -0.9999 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 0.866 0.0 0.0 0 CFG=2
M  V30 15 C 0.866 1.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 C 1.732 1.4999 0.0 0
M  V30 18 C 0.0 1.4999 0.0 0
M  V30 19 C 1.732 2.5 0.0 0
M  V30 20 C 0.0 2.5 0.0 0
M  V30 21 O 2.598 3.0 0.0 0
M  V30 22 C 0.866 3.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13 CFG=1
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 19 21
M  V30 21 2 19 22
M  V30 22 1 7 10
M  V30 23 1 8 9
M  V30 24 1 20 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001169822374

>  <name>
NA

>  <smiles>
CC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1cccc(O)c1

$$$$
ZINC000486661984
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 0.0 0.0 0
M  V30 2 C 3.4641 -0.5 0.0 0
M  V30 3 N 2.598 0.0 0.0 0
M  V30 4 C 3.4641 -1.5 0.0 0
M  V30 5 C 1.732 -0.5 0.0 0
M  V30 6 C 2.598 -1.9999 0.0 0
M  V30 7 C 4.3301 -2.0 0.0 0
M  V30 8 C 0.866 0.0 0.0 0
M  V30 9 C 2.598 -2.9999 0.0 0
M  V30 10 C 4.3301 -3.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C 3.4641 -3.5 0.0 0
M  V30 13 C 1.732 -3.4999 0.0 0
M  V30 14 N -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 O 3.4641 -4.5 0.0 0
M  V30 17 C 1.732 -4.4999 0.0 0
M  V30 18 C -1.5826 -0.8364 0.0 0
M  V30 19 C -1.0826 -1.7024 0.0 0
M  V30 20 C -2.5826 -0.8364 0.0 0
M  V30 21 C -1.5826 -2.5684 0.0 0
M  V30 22 C -3.0826 -1.7024 0.0 0
M  V30 23 C -2.5826 -2.5684 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 2 7 10
M  V30 10 1 8 11
M  V30 11 2 9 12
M  V30 12 1 9 13
M  V30 13 1 11 14
M  V30 14 2 11 15
M  V30 15 1 12 16
M  V30 16 1 13 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 2 21 23
M  V30 23 1 10 12
M  V30 24 2 18 19
M  V30 25 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000486661984

>  <name>
NA

>  <smiles>
CCc1cc(ccc1O)C(=O)NCCc1cc2ccccc2[nH]1

$$$$
ZINC000031316332
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 8.4128 1.2024 0.0 0
M  V30 2 C 7.4128 1.2024 0.0 0
M  V30 3 C 6.9128 0.3364 0.0 0
M  V30 4 C 6.9128 2.0684 0.0 0
M  V30 5 C 5.9128 0.3364 0.0 0
M  V30 6 C 5.9128 2.0684 0.0 0
M  V30 7 C 5.4128 1.2024 0.0 0
M  V30 8 C 5.2436 -0.4067 0.0 0
M  V30 9 N 4.4346 0.9945 0.0 0
M  V30 10 C 4.3301 0.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 O 3.4641 -1.5 0.0 0
M  V30 13 N 2.598 0.0 0.0 0
M  V30 14 C 1.732 -0.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0 CFG=2
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 C -1.732 -1.4999 0.0 0
M  V30 23 F -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 2 8 10
M  V30 10 1 10 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 15 14
M  V30 15 1 15 16 CFG=1
M  V30 16 1 15 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 22 23
M  V30 23 1 6 7
M  V30 24 1 9 10
M  V30 25 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 15)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000031316332

>  <name>
NA

>  <smiles>
OC(CNC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(F)cc1

$$$$
ZINC001176934812
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 10.3761 -2.9418 0.0 0
M  V30 2 C 8.9089 -3.2536 0.0 0
M  V30 3 N 7.7942 -2.2499 0.0 0
M  V30 4 C 8.2988 -4.624 0.0 0
M  V30 5 C 6.4951 -2.9999 0.0 0 CFG=2
M  V30 6 C 7.7942 -0.7499 0.0 0
M  V30 7 C 6.807 -4.4672 0.0 0
M  V30 8 C 8.9089 -5.9943 0.0 0
M  V30 9 C 5.1961 -2.25 0.0 0
M  V30 10 C 6.4951 0.0 0.0 0
M  V30 11 C 5.9253 -5.6807 0.0 0
M  V30 12 C 8.0272 -7.2078 0.0 0
M  V30 13 N 5.1961 -0.75 0.0 0
M  V30 14 C 6.5354 -7.051 0.0 0
M  V30 15 C 3.8971 0.0 0.0 0
M  V30 16 O 3.8971 1.5 0.0 0
M  V30 17 C 2.598 -0.75 0.0 0
M  V30 18 C 1.299 0.0 0.0 0
M  V30 19 N 0.0 -0.75 0.0 0
M  V30 20 C -1.3703 -0.1398 0.0 0
M  V30 21 C -0.1567 -2.2417 0.0 0
M  V30 22 C -2.374 -1.2546 0.0 0
M  V30 23 C -1.624 -2.5536 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 3 CFG=3
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 9 13
M  V30 13 2 11 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 2 21 23
M  V30 23 1 5 7
M  V30 24 1 10 13
M  V30 25 1 12 14
M  V30 26 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001176934812

>  <name>
NA

>  <smiles>
O=C(CCn1cccc1)N1CCN2C(C1)c1ccccc1C2=O

$$$$
ZINC001636667189
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 0.0 0.0 0
M  V30 2 C 3.4641 -0.5 0.0 0
M  V30 3 N 2.598 0.0 0.0 0
M  V30 4 C 3.4641 -1.5 0.0 0
M  V30 5 C 1.732 -0.5 0.0 0
M  V30 6 C 2.598 -1.9999 0.0 0
M  V30 7 C 4.3301 -2.0 0.0 0
M  V30 8 C 0.866 0.0 0.0 0
M  V30 9 N 1.647 -1.6909 0.0 0
M  V30 10 C 2.598 -3.0 0.0 0
M  V30 11 N 4.3301 -2.9999 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C 1.0592 -2.4999 0.0 0
M  V30 14 N 1.647 -3.309 0.0 0
M  V30 15 C 3.4641 -3.5 0.0 0
M  V30 16 N -0.9135 -0.0932 0.0 0
M  V30 17 C -0.1045 -1.4945 0.0 0
M  V30 18 C -1.5826 -0.8364 0.0 0
M  V30 19 C -1.0826 -1.7024 0.0 0
M  V30 20 C -2.5826 -0.8364 0.0 0
M  V30 21 C -1.5826 -2.5684 0.0 0
M  V30 22 C -3.0826 -1.7024 0.0 0
M  V30 23 C -2.5826 -2.5684 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 2 7 11
M  V30 11 1 8 12
M  V30 12 2 9 13
M  V30 13 1 10 14
M  V30 14 2 10 15
M  V30 15 1 12 16
M  V30 16 2 12 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 2 21 23
M  V30 23 1 11 15
M  V30 24 1 13 14
M  V30 25 2 18 19
M  V30 26 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001636667189

>  <name>
NA

>  <smiles>
O=C(NCCc1cc2ccccc2[nH]1)c1cncc2[nH]cnc12

$$$$
ZINC000343809656
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 0.0 0.0 0
M  V30 2 C 3.4641 -0.5 0.0 0
M  V30 3 N 2.598 0.0 0.0 0
M  V30 4 C 3.4641 -1.5 0.0 0
M  V30 5 C 1.732 -0.5 0.0 0
M  V30 6 C 2.598 -1.9999 0.0 0
M  V30 7 C 4.3301 -2.0 0.0 0
M  V30 8 C 0.866 0.0 0.0 0
M  V30 9 C 2.598 -2.9999 0.0 0
M  V30 10 C 4.3301 -3.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C 3.4641 -3.5 0.0 0
M  V30 13 C 1.732 -3.4999 0.0 0
M  V30 14 N -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 O 1.732 -4.4999 0.0 0
M  V30 17 C -1.5826 -0.8364 0.0 0
M  V30 18 C -1.0826 -1.7024 0.0 0
M  V30 19 C -2.5826 -0.8364 0.0 0
M  V30 20 C -1.5826 -2.5684 0.0 0
M  V30 21 C -3.0826 -1.7024 0.0 0
M  V30 22 C -2.5826 -2.5684 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 2 7 10
M  V30 10 1 8 11
M  V30 11 2 9 12
M  V30 12 1 9 13
M  V30 13 1 11 14
M  V30 14 2 11 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 10 12
M  V30 23 2 17 18
M  V30 24 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000343809656

>  <name>
NA

>  <smiles>
OCc1cccc(c1)C(=O)NCCc1cc2ccccc2[nH]1

$$$$
ZINC000154384782
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.75 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 C 5.1961 2.25 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 5.1961 3.75 0.0 0
M  V30 9 C 2.598 -0.75 0.0 0 CFG=2
M  V30 10 C 2.598 2.25 0.0 0
M  V30 11 C 3.8971 4.5 0.0 0
M  V30 12 O 2.598 -2.25 0.0 0
M  V30 13 N 1.299 0.0 0.0 0
M  V30 14 C 2.598 3.7499 0.0 0
M  V30 15 C 0.0 -0.75 0.0 0
M  V30 16 C -0.1567 -2.2417 0.0 0
M  V30 17 C -1.3703 -0.1398 0.0 0
M  V30 18 C -0.0785 0.7479 0.0 0
M  V30 19 C -1.624 -2.5536 0.0 0
M  V30 20 C -2.374 -1.2546 0.0 0
M  V30 21 N 1.1795 1.5649 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 9 6
M  V30 9 1 7 10
M  V30 10 2 8 11
M  V30 11 1 9 12 CFG=3
M  V30 12 1 9 13
M  V30 13 2 10 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 6 7
M  V30 22 1 11 14
M  V30 23 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000154384782

>  <name>
NA

>  <smiles>
NCC1(CCCC1)NC(O)c1cc(=O)[nH]c2ccccc12

$$$$
ZINC001210017124
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 7.7942 -6.75 0.0 0
M  V30 2 C 7.7942 -5.25 0.0 0
M  V30 3 C 9.0932 -4.5 0.0 0
M  V30 4 C 6.4951 -4.5 0.0 0
M  V30 5 C 9.0932 -3.0 0.0 0
M  V30 6 C 6.4951 -3.0 0.0 0
M  V30 7 O 10.3923 -2.25 0.0 0
M  V30 8 C 7.7942 -2.25 0.0 0
M  V30 9 N 7.7942 -0.75 0.0 0
M  V30 10 C 6.4951 0.0 0.0 0
M  V30 11 C 6.4951 1.5 0.0 0
M  V30 12 C 5.1961 -0.7499 0.0 0
M  V30 13 N 5.1961 2.25 0.0 0
M  V30 14 C 3.8971 0.0 0.0 0
M  V30 15 C 3.8971 1.5 0.0 0
M  V30 16 C 2.598 -0.75 0.0 0
M  V30 17 O 2.598 2.25 0.0 0
M  V30 18 O 2.598 -2.25 0.0 0
M  V30 19 O 1.299 0.0 0.0 0
M  V30 20 C 1.299 1.5 0.0 0
M  V30 21 C 0.0 -0.75 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 2 12 14
M  V30 14 2 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 19 21
M  V30 21 1 6 8
M  V30 22 1 14 15
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001210017124

>  <name>
NA

>  <smiles>
COC(=O)c1cc(Nc2ccc(F)cc2O)cnc1OC

$$$$
ZINC001580420035
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.3546 -2.6785 0.0 0
M  V30 2 C 2.516 -2.1339 0.0 0
M  V30 3 C 2.5683 -1.1352 0.0 0
M  V30 4 C 1.625 -2.5879 0.0 0
M  V30 5 C 1.7296 -0.5906 0.0 0
M  V30 6 C 0.7863 -2.0432 0.0 0
M  V30 7 C 0.8386 -1.0446 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.9135 -0.0932 0.0 0
M  V30 11 C -0.1045 -1.4945 0.0 0
M  V30 12 C 0.866 0.9999 0.0 0
M  V30 13 C -1.5826 -0.8364 0.0 0
M  V30 14 C -1.0826 -1.7024 0.0 0
M  V30 15 O 0.0 1.5 0.0 0
M  V30 16 N 1.732 1.4999 0.0 0
M  V30 17 C 1.732 2.4999 0.0 0
M  V30 18 C 0.866 3.0 0.0 0
M  V30 19 C 2.598 2.9999 0.0 0
M  V30 20 C 0.866 3.9999 0.0 0
M  V30 21 C 2.598 3.9999 0.0 0
M  V30 22 C 1.732 4.4999 0.0 0
M  V30 23 N 1.732 5.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 22 23
M  V30 23 1 6 7
M  V30 24 1 13 14
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001580420035

>  <name>
NA

>  <smiles>
NC1CCC(CC1)NC(=O)NC1(CCCC1)c1ccc(F)cc1

$$$$
ZINC000621286433
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.7499 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 N 7.6099 2.5036 0.0 0
M  V30 6 C 5.1961 2.25 0.0 0
M  V30 7 C 3.8971 0.0 0.0 0
M  V30 8 C 6.9998 3.874 0.0 0
M  V30 9 N 5.508 3.7172 0.0 0
M  V30 10 N 3.8971 1.5 0.0 0
M  V30 11 C 2.598 -0.75 0.0 0
M  V30 12 N 7.7498 5.173 0.0 0
M  V30 13 N 1.299 0.0 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 C -1.3703 -0.1398 0.0 0
M  V30 16 C -0.1567 -2.2417 0.0 0
M  V30 17 C -2.374 -1.2546 0.0 0
M  V30 18 C -1.6821 1.3273 0.0 0
M  V30 19 C -1.624 -2.5536 0.0 0
M  V30 20 C -3.1087 1.7908 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 18 20
M  V30 20 1 7 10
M  V30 21 1 8 9
M  V30 22 1 17 19
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000621286433

>  <name>
NA

>  <smiles>
CCC1CCCC1NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC000346057841
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.8289 5.9363 0.0 0
M  V30 2 C 2.621 4.9582 0.0 0
M  V30 3 N 1.6699 4.6491 0.0 0
M  V30 4 C 3.3641 4.289 0.0 0
M  V30 5 C 1.462 3.671 0.0 0
M  V30 6 C 3.1562 3.3109 0.0 0
M  V30 7 C 2.2052 3.0019 0.0 0
M  V30 8 C 0.511 3.362 0.0 0
M  V30 9 C 3.8994 2.6418 0.0 0
M  V30 10 C 0.3031 2.3838 0.0 0
M  V30 11 O 4.8504 2.9508 0.0 0
M  V30 12 N 3.6915 1.6636 0.0 0
M  V30 13 C 4.4346 0.9945 0.0 0
M  V30 14 N 4.3301 0.0 0.0 0
M  V30 15 C 5.4128 1.2024 0.0 0
M  V30 16 N 5.2436 -0.4067 0.0 0
M  V30 17 C 3.4641 -0.5 0.0 0
M  V30 18 C 5.9128 0.3364 0.0 0
M  V30 19 C 2.598 0.0 0.0 0
M  V30 20 C 6.9073 0.2318 0.0 0
M  V30 21 C 1.732 -0.5 0.0 0
M  V30 22 C 0.866 0.0 0.0 0
M  V30 23 C 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 2 12 13 CFG=2
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 6 7
M  V30 24 1 16 18
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000346057841

>  <name>
NA

>  <smiles>
CCCCCn1[nH]c(C)cc1=NC(=O)C1CC(CC)NC(=O)C1

$$$$
ZINC000837174634
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.4641 2.5 0.0 0
M  V30 2 C 3.4641 2.5 0.0 0
M  V30 3 F 3.4641 3.5 0.0 0
M  V30 4 F 4.4641 2.5 0.0 0
M  V30 5 C 3.4641 1.5 0.0 0
M  V30 6 C 2.598 1.0 0.0 0
M  V30 7 C 4.3301 1.0 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 C 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.4999 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0
M  V30 12 O 1.732 -1.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 O 0.866 1.0 0.0 0
M  V30 15 N 0.0 -0.5 0.0 0
M  V30 16 C -0.866 0.0 0.0 0
M  V30 17 C 0.0 -1.4999 0.0 0
M  V30 18 C -1.732 -0.4999 0.0 0
M  V30 19 C -0.866 -1.9999 0.0 0
M  V30 20 O -2.598 0.0 0.0 0
M  V30 21 C -1.732 -1.4999 0.0 0
M  V30 22 C -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 9 10
M  V30 23 1 19 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000837174634

>  <name>
NA

>  <smiles>
CC1CC(O)CN(C1)C(=O)C(O)c1cccc(c1)C(F)(F)F

$$$$
ZINC000305850641
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 2.598 -0.75 0.0 0
M  V30 2 C 3.8971 0.0 0.0 0
M  V30 3 C 1.299 0.0 0.0 0
M  V30 4 N 5.1961 -0.7499 0.0 0
M  V30 5 N 3.8971 1.4999 0.0 0
M  V30 6 C 0.0 -0.75 0.0 0
M  V30 7 C 6.4951 0.0 0.0 0
M  V30 8 C 5.1961 2.25 0.0 0
M  V30 9 C 2.598 2.2499 0.0 0
M  V30 10 C -1.299 0.0 0.0 0
M  V30 11 C 0.0 -2.2499 0.0 0
M  V30 12 C 6.4951 1.5 0.0 0
M  V30 13 C 7.7942 -0.7499 0.0 0
M  V30 14 O 5.1961 3.75 0.0 0
M  V30 15 C 1.299 1.5 0.0 0
M  V30 16 C -2.598 -0.7499 0.0 0
M  V30 17 C -1.299 -2.9999 0.0 0
M  V30 18 C 7.7942 2.25 0.0 0
M  V30 19 C 9.0932 0.0 0.0 0
M  V30 20 C -2.598 -2.2499 0.0 0
M  V30 21 C 9.0932 1.5 0.0 0
M  V30 22 C -3.8971 -2.9999 0.0 0
M  V30 23 O -3.8971 -4.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 2 6 10
M  V30 10 1 6 11
M  V30 11 2 7 12
M  V30 12 1 7 13
M  V30 13 2 8 14
M  V30 14 1 9 15
M  V30 15 1 10 16
M  V30 16 2 11 17
M  V30 17 1 12 18
M  V30 18 2 13 19
M  V30 19 2 16 20
M  V30 20 2 18 21
M  V30 21 1 20 22
M  V30 22 1 22 23
M  V30 23 1 8 12
M  V30 24 1 17 20
M  V30 25 1 19 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000305850641

>  <name>
NA

>  <smiles>
CCn1c(SCc2ccc(CO)cc2)nc2ccccc2c1=O

$$$$
ZINC001155096479
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 5.1961 -0.5 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 C 6.0621 0.0 0.0 0
M  V30 4 N 4.3301 1.0 0.0 0
M  V30 5 N 3.4641 -0.4999 0.0 0
M  V30 6 C 3.4641 1.5 0.0 0
M  V30 7 C 2.598 0.0 0.0 0
M  V30 8 O 3.4641 2.5 0.0 0
M  V30 9 C 2.598 1.0 0.0 0
M  V30 10 N 1.732 -0.5 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 O 0.866 1.0 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0
M  V30 14 C -0.866 0.0 0.0 0
M  V30 15 C 0.0 -1.4999 0.0 0
M  V30 16 N -0.866 1.0 0.0 0
M  V30 17 C -1.732 -0.4999 0.0 0
M  V30 18 C -0.866 -1.9999 0.0 0
M  V30 19 C -1.732 1.5 0.0 0
M  V30 20 C -2.598 0.0 0.0 0
M  V30 21 C -1.732 -1.4999 0.0 0
M  V30 22 C -2.598 1.0 0.0 0
M  V30 23 O -3.4641 1.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 2 6 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 1 10 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 17 21
M  V30 21 2 19 22
M  V30 22 1 22 23
M  V30 23 2 7 9
M  V30 24 2 18 21
M  V30 25 1 20 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001155096479

>  <name>
NA

>  <smiles>
CSc1nc(=O)cc(NC(=O)c2cccc3cc(O)cnc23)[nH]1

$$$$
ZINC000357075446
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 5.9128 0.3364 0.0 0
M  V30 2 C 5.4128 1.2024 0.0 0
M  V30 3 C 5.2436 -0.4067 0.0 0
M  V30 4 O 5.8195 2.1159 0.0 0
M  V30 5 N 4.4346 0.9945 0.0 0
M  V30 6 C 4.3301 0.0 0.0 0
M  V30 7 C 3.4641 -0.5 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 N 1.732 -0.5 0.0 0
M  V30 10 C 0.866 0.0 0.0 0
M  V30 11 O 0.866 1.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 N -0.9135 -0.0932 0.0 0
M  V30 14 C -0.1045 -1.4945 0.0 0
M  V30 15 C -1.5826 -0.8364 0.0 0
M  V30 16 C -1.0826 -1.7024 0.0 0
M  V30 17 C -2.5826 -0.8364 0.0 0
M  V30 18 C -1.5826 -2.5684 0.0 0
M  V30 19 C -3.0826 -1.7024 0.0 0
M  V30 20 C -2.5826 -2.5684 0.0 0
M  V30 21 F -3.0826 -3.4344 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 2 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 2 18 20
M  V30 20 1 20 21
M  V30 21 1 5 6
M  V30 22 2 15 16
M  V30 23 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000357075446

>  <name>
NA

>  <smiles>
Fc1ccc2[nH]c(cc2c1)C(=O)NCCc1csc(=O)[nH]1

$$$$
ZINC000813484611
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 3.4641 1.4999 0.0 0
M  V30 2 C 4.3301 1.0 0.0 0
M  V30 3 C 4.3301 0.0 0.0 0
M  V30 4 C 5.1961 1.5 0.0 0
M  V30 5 C 5.1961 -0.4999 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 7 C 6.0621 1.0 0.0 0
M  V30 8 F 5.1961 -1.4999 0.0 0
M  V30 9 C 6.0621 0.0 0.0 0
M  V30 10 O 3.4641 -1.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 O 0.866 1.0 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 C -0.866 0.0 0.0 0
M  V30 17 C 0.0 -1.4999 0.0 0
M  V30 18 C -1.732 -0.4999 0.0 0
M  V30 19 C -0.866 -1.9999 0.0 0
M  V30 20 C -1.732 -1.4999 0.0 0
M  V30 21 C -2.598 0.0 0.0 0
M  V30 22 O -2.598 -1.9999 0.0 0
M  V30 23 C -3.4641 -0.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 3
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 5 9
M  V30 9 1 6 10 CFG=1
M  V30 10 1 6 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 7 9
M  V30 24 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000813484611

>  <name>
NA

>  <smiles>
CCc1cc(ccc1O)C(=O)NCC(O)c1c(F)cccc1Cl

$$$$
ZINC000420405700
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 4.3301 0.9999 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 C 3.4641 -0.5 0.0 0
M  V30 4 C 5.1961 -0.5 0.0 0
M  V30 5 N 2.598 0.0 0.0 0
M  V30 6 C 3.4641 -1.5 0.0 0
M  V30 7 C 5.1961 -1.5 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 C 4.3301 -2.0 0.0 0
M  V30 10 Cl 6.0621 -2.0 0.0 0
M  V30 11 O 1.732 -1.5 0.0 0
M  V30 12 C 0.866 0.0 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C -0.866 0.0 0.0 0
M  V30 15 C 0.0 -1.4999 0.0 0
M  V30 16 C -1.732 -0.4999 0.0 0
M  V30 17 C -0.866 -1.9999 0.0 0
M  V30 18 C -1.732 -1.4999 0.0 0
M  V30 19 O -1.732 -2.4999 0.0 0
M  V30 20 C -2.598 -1.9999 0.0 0
M  V30 21 N -3.4641 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 7 10
M  V30 10 2 8 11
M  V30 11 1 8 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 1 7 9
M  V30 22 1 17 18
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000420405700

>  <name>
NA

>  <smiles>
NCC1(O)CCN(CC(=O)Nc2ccc(Cl)cc2Cl)CC1

$$$$
ZINC001364651027
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O -1.4894 -2.6159 0.0 0
M  V30 2 C -1.0826 -1.7024 0.0 0
M  V30 3 N -0.1045 -1.4945 0.0 0
M  V30 4 C -1.5826 -0.8364 0.0 0
M  V30 5 C 0.0 -0.5 0.0 0
M  V30 6 C -0.9135 -0.0932 0.0 0
M  V30 7 C 0.866 0.0 0.0 0
M  V30 8 C 0.8386 -1.0446 0.0 0
M  V30 9 C 1.732 -0.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 O 2.598 1.0 0.0 0
M  V30 12 N 3.4641 -0.5 0.0 0
M  V30 13 C 4.3301 0.0 0.0 0
M  V30 14 C 5.1961 -0.5 0.0 0
M  V30 15 C 4.3301 1.0 0.0 0
M  V30 16 O 5.1961 -1.4999 0.0 0
M  V30 17 N 6.0621 0.0 0.0 0
M  V30 18 C 5.1961 1.4999 0.0 0
M  V30 19 C 6.9282 -0.5 0.0 0
M  V30 20 N 5.3006 2.4945 0.0 0
M  V30 21 C 6.1096 1.0932 0.0 0
M  V30 22 C 6.2788 2.7024 0.0 0
M  V30 23 N 6.7788 1.8364 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 18 21
M  V30 21 2 20 22
M  V30 22 1 21 23
M  V30 23 1 5 6
M  V30 24 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001364651027

>  <name>
NA

>  <smiles>
CNC(=O)C(Cc1c[nH]cn1)NC(=O)CCC1(C)CCC(=O)N1

$$$$
ZINC001413460198
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 9.0932 -3.0 0.0 0
M  V30 2 C 7.7942 -2.2499 0.0 0
M  V30 3 N 7.7942 -0.75 0.0 0
M  V30 4 N 6.4951 -2.9999 0.0 0
M  V30 5 C 6.4951 0.0 0.0 0
M  V30 6 C 9.0932 0.0 0.0 0
M  V30 7 C 5.1961 -2.25 0.0 0
M  V30 8 C 5.1961 -0.75 0.0 0
M  V30 9 O 3.8971 -3.0 0.0 0
M  V30 10 C 3.8971 0.0 0.0 0
M  V30 11 N 2.598 -0.75 0.0 0
M  V30 12 C 1.299 0.0 0.0 0
M  V30 13 O 1.299 1.5 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 N -1.3703 -0.1398 0.0 0
M  V30 16 C -0.1567 -2.2417 0.0 0
M  V30 17 C -2.374 -1.2546 0.0 0
M  V30 18 C -1.8338 1.2866 0.0 0
M  V30 19 N -1.624 -2.5536 0.0 0
M  V30 20 C -3.8412 -0.9427 0.0 0
M  V30 21 C -3.301 1.5985 0.0 0
M  V30 22 C -4.3047 0.4838 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 2 5 8
M  V30 8 2 7 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 2 14 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 20 22
M  V30 22 1 7 8
M  V30 23 2 17 19
M  V30 24 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001413460198

>  <name>
NA

>  <smiles>
Cn1cc(CNC(=O)c2cnc3CCCCn23)c(=O)[nH]c1=O

$$$$
ZINC001640295546
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 10.3923 -0.75 0.0 0
M  V30 2 C 9.0932 0.0 0.0 0
M  V30 3 C 9.0932 1.5 0.0 0
M  V30 4 C 7.7942 -0.75 0.0 0
M  V30 5 O 10.3923 2.25 0.0 0
M  V30 6 N 7.7942 2.25 0.0 0
M  V30 7 C 6.4952 0.0 0.0 0
M  V30 8 C 6.4952 1.5 0.0 0
M  V30 9 C 5.1961 -0.75 0.0 0
M  V30 10 C 5.1961 2.25 0.0 0
M  V30 11 O 5.1961 -2.25 0.0 0
M  V30 12 N 3.8971 0.0 0.0 0
M  V30 13 C 2.598 -0.75 0.0 0
M  V30 14 C 1.299 0.0 0.0 0
M  V30 15 C 0.0 -0.75 0.0 0 CFG=2
M  V30 16 C -1.3703 -0.1398 0.0 0
M  V30 17 C -0.1567 -2.2417 0.0 0
M  V30 18 C -2.374 -1.2546 0.0 0
M  V30 19 C -1.624 -2.5536 0.0 0
M  V30 20 F -3.5875 -0.3729 0.0 0
M  V30 21 F -3.7443 -1.8647 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 2 4
M  V30 4 2 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 15 14 CFG=1
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 2 7 8
M  V30 22 1 18 19
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 15)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001640295546

>  <name>
NA

>  <smiles>
Cc1[nH]c(=O)c(Br)cc1C(=O)NCCC1CCC(F)(F)C1

$$$$
ZINC001324360963
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 12.9015 0.7499 0.0 0
M  V30 2 C 11.4015 0.7499 0.0 0
M  V30 3 N 10.5198 1.9635 0.0 0
M  V30 4 N 10.5198 -0.4635 0.0 0
M  V30 5 C 9.0932 1.5 0.0 0
M  V30 6 C 10.9833 3.3901 0.0 0
M  V30 7 C 9.0932 0.0 0.0 0
M  V30 8 C 10.9833 -1.8901 0.0 0
M  V30 9 C 7.7942 2.2499 0.0 0
M  V30 10 C 7.7942 -0.75 0.0 0
M  V30 11 C 6.4951 1.4999 0.0 0
M  V30 12 C 6.4951 0.0 0.0 0
M  V30 13 O 5.1961 2.25 0.0 0
M  V30 14 N 5.1961 -0.75 0.0 0
M  V30 15 C 3.8971 0.0 0.0 0
M  V30 16 O 3.8971 1.5 0.0 0
M  V30 17 C 2.598 -0.75 0.0 0
M  V30 18 N 1.299 0.0 0.0 0
M  V30 19 C 0.0 -0.75 0.0 0
M  V30 20 C 0.7499 -2.049 0.0 0
M  V30 21 C -1.299 -1.4999 0.0 0
M  V30 22 C -0.7499 0.549 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 1 19 22
M  V30 22 2 5 7
M  V30 23 1 11 12
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001324360963

>  <name>
NA

>  <smiles>
Cn1c2cc(O)c(NC(=O)CNC(C)(C)C)cc2n(C)c1=O

$$$$
ZINC000187900001
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 3.7195 -1.3848 0.0 0
M  V30 2 C 3.5116 -0.4067 0.0 0
M  V30 3 S 4.1807 0.3364 0.0 0
M  V30 4 C 2.598 0.0 0.0 0
M  V30 5 C 3.6807 1.2024 0.0 0
M  V30 6 N 1.732 -0.5 0.0 0
M  V30 7 C 2.7026 0.9945 0.0 0
M  V30 8 C 0.866 0.0 0.0 0 CFG=1
M  V30 9 O 0.866 1.0 0.0 0
M  V30 10 C 0.0 -0.5 0.0 0
M  V30 11 C -0.866 0.0 0.0 0
M  V30 12 C 0.0 -1.4999 0.0 0
M  V30 13 C -1.732 -0.4999 0.0 0
M  V30 14 C -0.866 1.0 0.0 0
M  V30 15 C -0.866 -1.9999 0.0 0
M  V30 16 N -1.732 -1.4999 0.0 0
M  V30 17 C -2.598 0.0 0.0 0
M  V30 18 C -1.732 1.5 0.0 0
M  V30 19 O -0.866 -2.9999 0.0 0
M  V30 20 C -2.598 1.0 0.0 0
M  V30 21 F -3.4641 1.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 4 7
M  V30 7 1 8 6
M  V30 8 1 8 9 CFG=3
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 2 10 12
M  V30 12 2 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 13 17
M  V30 17 2 14 18
M  V30 18 2 15 19
M  V30 19 2 17 20
M  V30 20 1 20 21
M  V30 21 2 5 7
M  V30 22 1 15 16
M  V30 23 1 18 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000187900001

>  <name>
NA

>  <smiles>
OC(Nc1ccsc1Cl)c1cc(=O)[nH]c2cc(F)ccc12

$$$$
ZINC001382547193
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 2.4999 0.0 0
M  V30 2 C 6.9282 1.4999 0.0 0
M  V30 3 N 6.0621 0.9999 0.0 0
M  V30 4 C 7.7942 0.9999 0.0 0
M  V30 5 C 6.0621 0.0 0.0 0
M  V30 6 C 7.7942 0.0 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 C 6.9282 -0.5 0.0 0
M  V30 9 O 5.1961 -1.4999 0.0 0
M  V30 10 N 4.3301 0.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 C 3.4641 -1.5 0.0 0
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 O 4.3301 -2.0 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 O 0.866 1.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 C -0.5877 -1.309 0.0 0
M  V30 20 C -0.5877 0.309 0.0 0
M  V30 21 C 0.4067 -1.4135 0.0 0
M  V30 22 C -1.5388 -0.9999 0.0 0
M  V30 23 C -1.5388 0.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 2 7 9
M  V30 9 1 7 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 6 8
M  V30 24 1 19 21
M  V30 25 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001382547193

>  <name>
NA

>  <smiles>
OCC(CNC(=O)C12CC1CCC2)NC(=O)c1cccc(=O)[nH]1

$$$$
ZINC000359825755
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.8689 0.5 0.0 0
M  V30 2 C 5.8689 0.5 0.0 0
M  V30 3 N 5.2811 1.309 0.0 0
M  V30 4 N 5.2811 -0.309 0.0 0
M  V30 5 C 4.3301 1.0 0.0 0
M  V30 6 C 5.5902 2.26 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 5.5902 -1.26 0.0 0
M  V30 9 C 3.4641 1.4999 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.9999 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 O 1.732 1.4999 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.9135 -0.0932 0.0 0
M  V30 19 C -0.1045 -1.4945 0.0 0
M  V30 20 C -1.5826 -0.8364 0.0 0
M  V30 21 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 5 7
M  V30 22 1 11 12
M  V30 23 2 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000359825755

>  <name>
NA

>  <smiles>
Cn1c2cc(O)c(NC(=O)c3ccc[nH]3)cc2n(C)c1=O

$$$$
ZINC000375642916
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 6.9282 -0.5 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 C 6.0621 0.9999 0.0 0
M  V30 4 C 5.1961 -0.5 0.0 0
M  V30 5 O 6.9282 1.4999 0.0 0
M  V30 6 N 5.1961 1.4999 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 4.3301 1.0 0.0 0
M  V30 9 C 3.4641 -0.5 0.0 0
M  V30 10 C 3.4641 1.5 0.0 0
M  V30 11 O 3.4641 -1.5 0.0 0
M  V30 12 N 2.598 0.0 0.0 0
M  V30 13 C 1.732 -0.5 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 N -0.9135 -0.0932 0.0 0
M  V30 17 C -0.1045 -1.4945 0.0 0
M  V30 18 C -1.5826 -0.8364 0.0 0
M  V30 19 N -1.0826 -1.7024 0.0 0
M  V30 20 C -2.5826 -0.8364 0.0 0
M  V30 21 C -1.5826 -2.5684 0.0 0
M  V30 22 C -3.0826 -1.7024 0.0 0
M  V30 23 C -2.5826 -2.5684 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 2 4
M  V30 4 2 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 2 15 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 7 8
M  V30 24 1 18 19
M  V30 25 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000375642916

>  <name>
NA

>  <smiles>
Cc1[nH]c(=O)c(Br)cc1C(=O)NCCc1cn2CCCCc2n1

$$$$
ZINC001450956128
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 6.9757 -0.4067 0.0 0
M  V30 2 N 7.6448 0.3364 0.0 0
M  V30 3 C 6.0621 0.0 0.0 0
M  V30 4 C 7.1448 1.2024 0.0 0
M  V30 5 C 5.1961 -0.5 0.0 0
M  V30 6 C 6.1667 0.9945 0.0 0
M  V30 7 O 5.1961 -1.4999 0.0 0
M  V30 8 N 4.3301 0.0 0.0 0
M  V30 9 C 3.4641 -0.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0 CFG=1
M  V30 11 N 1.732 -0.5 0.0 0
M  V30 12 C 2.598 1.0 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 C 1.732 1.5 0.0 0
M  V30 15 O 0.866 1.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 N -0.9135 -0.0932 0.0 0
M  V30 18 C -0.1045 -1.4945 0.0 0
M  V30 19 N -1.5826 -0.8364 0.0 0
M  V30 20 C -1.0826 -1.7024 0.0 0
M  V30 21 C -1.4894 -2.6159 0.0 0
M  V30 22 F -2.4839 -2.7205 0.0 0
M  V30 23 F -0.9016 -3.4249 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 3 5
M  V30 5 2 3 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 10 9
M  V30 10 1 10 11 CFG=1
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 2 13 15
M  V30 15 1 13 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 20 21
M  V30 21 1 21 22
M  V30 22 1 21 23
M  V30 23 1 4 6
M  V30 24 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 10)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001450956128

>  <name>
NA

>  <smiles>
CCC(CNC(=O)c1ccns1)NC(=O)c1cc([nH]n1)C(F)F

$$$$
ZINC000353883274
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1665 3.4487 0.0 0
M  V30 2 C 4.6665 2.5826 0.0 0
M  V30 3 N 3.672 2.4781 0.0 0
M  V30 4 N 5.0732 1.6691 0.0 0
M  V30 5 C 3.4641 1.5 0.0 0
M  V30 6 C 3.0028 3.2212 0.0 0
M  V30 7 C 4.3301 1.0 0.0 0
M  V30 8 C 6.0514 1.4612 0.0 0
M  V30 9 C 2.598 1.0 0.0 0
M  V30 10 C 4.3301 0.0 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 C 3.4641 -0.4999 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 O 0.866 1.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 C -0.866 0.0 0.0 0
M  V30 18 C 0.0 -1.4999 0.0 0
M  V30 19 C -1.732 -0.4999 0.0 0
M  V30 20 C -0.866 -1.9999 0.0 0
M  V30 21 C -1.732 -1.4999 0.0 0
M  V30 22 C -2.598 0.0 0.0 0
M  V30 23 O -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 21 23
M  V30 23 2 5 7
M  V30 24 1 11 12
M  V30 25 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000353883274

>  <name>
NA

>  <smiles>
Cc1cc(ccc1O)C(=O)Nc1ccc2n(C)c(=O)n(C)c2c1

$$$$
ZINC001465346688
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.3301 0.9999 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 C 3.4641 -0.5 0.0 0
M  V30 4 C 5.1961 -0.5 0.0 0
M  V30 5 C 2.598 0.0 0.0 0
M  V30 6 C 3.4641 -1.5 0.0 0
M  V30 7 C 5.1961 -1.5 0.0 0
M  V30 8 O 2.598 1.0 0.0 0
M  V30 9 N 1.732 -0.5 0.0 0
M  V30 10 C 4.3301 -2.0 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 C 4.3301 -3.0 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0
M  V30 14 F 3.4641 -3.5 0.0 0
M  V30 15 F 5.1961 -3.5 0.0 0
M  V30 16 C -0.866 0.0 0.0 0
M  V30 17 C 0.0 -1.4999 0.0 0
M  V30 18 N -1.732 -0.4999 0.0 0
M  V30 19 C -0.866 -1.9999 0.0 0
M  V30 20 C -1.732 -1.4999 0.0 0
M  V30 21 O -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 5 9
M  V30 9 2 6 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 2 20 21
M  V30 21 1 7 10
M  V30 22 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001465346688

>  <name>
NA

>  <smiles>
FC(F)c1ccc(F)c(c1)C(=O)NCc1ccc(=O)[nH]c1

$$$$
ZINC001347647955
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 19 20 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.4641 -4.5 0.0 0
M  V30 2 C 3.4641 -3.5 0.0 0
M  V30 3 C 4.3301 -3.0 0.0 0
M  V30 4 C 2.598 -2.9999 0.0 0
M  V30 5 C 4.3301 -2.0 0.0 0
M  V30 6 C 2.598 -1.9999 0.0 0
M  V30 7 C 3.4641 -1.5 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0
M  V30 9 C 4.3301 -1.0 0.0 0
M  V30 10 O 4.3301 0.0 0.0 0
M  V30 11 N 2.598 0.0 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0 CFG=2
M  V30 14 O 0.866 1.0 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 N -0.9135 -0.0932 0.0 0
M  V30 17 C -0.1045 -1.4945 0.0 0
M  V30 18 C -1.5826 -0.8364 0.0 0
M  V30 19 N -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 7 8
M  V30 8 1 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 11 12
M  V30 12 1 13 12
M  V30 13 1 13 14 CFG=1
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 2 15 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 6 7
M  V30 20 1 18 19
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001347647955

>  <name>
NA

>  <smiles>
CC1(CCC(=O)CC1)C(=O)NCC(O)c1c[nH]cn1

$$$$
ZINC000827126117
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 21 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 9.0932 0.0 0.0 0
M  V30 2 O 9.8432 1.299 0.0 0
M  V30 3 O 8.3432 1.299 0.0 0
M  V30 4 N 7.7942 -0.75 0.0 0
M  V30 5 N 10.3923 -0.75 0.0 0
M  V30 6 C 6.4952 0.0 0.0 0
M  V30 7 C 11.6913 0.0 0.0 0
M  V30 8 C 5.1961 -0.75 0.0 0
M  V30 9 O 5.1961 -2.25 0.0 0
M  V30 10 N 3.8971 0.0 0.0 0
M  V30 11 C 2.598 -0.75 0.0 0
M  V30 12 C 1.299 0.0 0.0 0 CFG=2
M  V30 13 O 1.299 1.5 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 C -1.299 0.0 0.0 0
M  V30 16 C 0.0 -2.25 0.0 0
M  V30 17 F -1.299 1.5 0.0 0
M  V30 18 C -2.598 -0.75 0.0 0
M  V30 19 F 1.299 -3.0 0.0 0
M  V30 20 C -1.299 -3.0 0.0 0
M  V30 21 C -2.598 -2.25 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 2 1 3
M  V30 3 1 1 4
M  V30 4 1 1 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 12 11
M  V30 12 1 12 13 CFG=1
M  V30 13 1 12 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 2 16 20
M  V30 20 2 18 21
M  V30 21 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000827126117

>  <name>
NA

>  <smiles>
CNS(=O)(=O)NCC(=O)NCC(O)c1c(F)cccc1F

$$$$
ZINC001328570932
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 0.0 0.0 0
M  V30 2 C 3.4641 -0.4999 0.0 0
M  V30 3 N 3.4641 -1.4999 0.0 0
M  V30 4 C 2.598 0.0 0.0 0
M  V30 5 N 4.2072 -2.1691 0.0 0
M  V30 6 C 2.598 -1.9999 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 C 3.8005 -3.0826 0.0 0
M  V30 9 N 2.8059 -2.9781 0.0 0
M  V30 10 N 1.732 -1.5 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 N 4.3005 -3.9487 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0 CFG=2
M  V30 16 C -1.5826 -0.8364 0.0 0
M  V30 17 C -1.2225 0.8577 0.0 0
M  V30 18 C -1.0826 -1.7024 0.0 0
M  V30 19 C 0.6386 -2.1636 0.0 0
M  V30 20 C -2.5608 -0.6284 0.0 0
M  V30 21 C -2.2007 1.0657 0.0 0
M  V30 22 O 0.4307 -3.1418 0.0 0
M  V30 23 C -2.8698 0.3225 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 15 13
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 15 19 CFG=1
M  V30 19 1 16 20
M  V30 20 2 17 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 7 10
M  V30 24 1 8 9
M  V30 25 1 16 18
M  V30 26 1 21 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 15)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001328570932

>  <name>
NA

>  <smiles>
OCC1Cc2ccccc2N1Cc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC000357797312
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 7.7629 0.3478 0.0 0
M  V30 2 C 6.2711 0.5046 0.0 0
M  V30 3 C 5.5211 1.8036 0.0 0
M  V30 4 C 5.2674 -0.6101 0.0 0
M  V30 5 N 4.0539 1.4917 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0
M  V30 7 C 2.598 -0.75 0.0 0
M  V30 8 O 2.598 -2.25 0.0 0
M  V30 9 N 1.299 0.0 0.0 0
M  V30 10 C 0.0 -0.75 0.0 0
M  V30 11 C -1.299 0.0 0.0 0
M  V30 12 C 0.0 -2.2499 0.0 0
M  V30 13 O -1.299 1.5 0.0 0
M  V30 14 C -2.598 -0.7499 0.0 0
M  V30 15 C -1.299 -2.9999 0.0 0
M  V30 16 C -2.598 -2.2499 0.0 0
M  V30 17 N -1.6109 -4.4672 0.0 0
M  V30 18 N -3.7127 -3.2536 0.0 0
M  V30 19 C -3.1026 -4.624 0.0 0
M  V30 20 C -0.6072 -5.5819 0.0 0
M  V30 21 C -5.18 -2.9418 0.0 0
M  V30 22 O -3.8526 -5.923 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 2 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 1 5 6
M  V30 23 1 15 16
M  V30 24 1 18 19
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000357797312

>  <name>
NA

>  <smiles>
Cn1c2cc(O)c(NC(=O)c3cc(F)c[nH]3)cc2n(C)c1=O

$$$$
ZINC001438388530
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.5385 -7.6947 0.0 0
M  V30 2 C 3.617 -6.1967 0.0 0
M  V30 3 N 4.9535 -5.5157 0.0 0
M  V30 4 C 2.359 -5.3798 0.0 0
M  V30 5 C 5.032 -4.0178 0.0 0
M  V30 6 C 2.4375 -3.8818 0.0 0 CFG=2
M  V30 7 C 3.774 -3.2008 0.0 0
M  V30 8 C 1.1795 -3.0649 0.0 0
M  V30 9 O -0.157 -3.7458 0.0 0
M  V30 10 N 1.258 -1.5669 0.0 0
M  V30 11 C 0.0 -0.75 0.0 0
M  V30 12 C -1.3703 -0.1398 0.0 0
M  V30 13 C -0.1567 -2.2417 0.0 0
M  V30 14 C 1.299 0.0 0.0 0
M  V30 15 C -2.374 -1.2546 0.0 0
M  V30 16 C -1.624 -2.5536 0.0 0
M  V30 17 N 2.598 -0.75 0.0 0
M  V30 18 C 3.8971 0.0 0.0 0
M  V30 19 C 5.1961 -0.75 0.0 0
M  V30 20 O 5.1961 -2.25 0.0 0
M  V30 21 N 6.4951 0.0 0.0 0
M  V30 22 C 7.7942 -0.75 0.0 0
M  V30 23 C 9.0932 0.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 1 5 7
M  V30 7 1 6 8 CFG=1
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 6 7
M  V30 24 1 15 16
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001438388530

>  <name>
NA

>  <smiles>
CCNC(=O)CNCC1(CCCC1)NC(=O)C1CCNC(=O)C1

$$$$
ZINC001407702800
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 8.6393 0.2318 0.0 0
M  V30 2 C 7.6448 0.3364 0.0 0
M  V30 3 C 7.1448 1.2024 0.0 0
M  V30 4 C 6.9757 -0.4067 0.0 0
M  V30 5 N 6.1667 0.9945 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 O 5.1961 -1.4999 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 3.4641 -1.5 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 C 2.9641 -2.366 0.0 0
M  V30 14 C 3.9641 -2.366 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 O 0.866 1.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 N -0.9135 -0.0932 0.0 0
M  V30 20 C -0.1045 -1.4945 0.0 0
M  V30 21 C -1.5826 -0.8364 0.0 0
M  V30 22 N -1.0826 -1.7024 0.0 0
M  V30 23 O -2.5771 -0.7318 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 2 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 5 6
M  V30 24 1 13 14
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001407702800

>  <name>
NA

>  <smiles>
OC(NCC(NC(=O)c1cc(F)c[nH]1)C1CC1)c1c[nH]c(=O)[nH]1

$$$$
ZINC001207763393
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.75 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 5.1961 -0.75 0.0 0
M  V30 4 N 6.4951 1.5 0.0 0
M  V30 5 C 3.8971 0.0 0.0 0
M  V30 6 O 3.8971 1.5 0.0 0
M  V30 7 C 2.598 -0.75 0.0 0
M  V30 8 N 1.299 0.0 0.0 0
M  V30 9 C 0.0 -0.75 0.0 0 CFG=2
M  V30 10 C -1.299 0.0 0.0 0
M  V30 11 C 0.0 -2.2499 0.0 0
M  V30 12 N -2.598 -0.7499 0.0 0
M  V30 13 C -1.299 -2.9999 0.0 0
M  V30 14 C -3.8971 0.0 0.0 0
M  V30 15 C -2.598 -2.2499 0.0 0
M  V30 16 O -3.8971 1.5 0.0 0
M  V30 17 C -5.1961 -0.7499 0.0 0
M  V30 18 C -6.4951 0.0 0.0 0
M  V30 19 C -7.7942 -0.7499 0.0 0
M  V30 20 N -9.1645 -0.1398 0.0 0
M  V30 21 N -7.951 -2.2417 0.0 0
M  V30 22 N -10.1682 -1.2546 0.0 0
M  V30 23 C -9.4182 -2.5536 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 7 8
M  V30 8 1 9 8 CFG=1
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 13 15
M  V30 24 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001207763393

>  <name>
NA

>  <smiles>
NC(=O)NC(=O)CNC1CCCN(C1)C(=O)CCc1nc[nH]n1

$$$$
ZINC001385675386
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 8.6393 0.2318 0.0 0
M  V30 2 C 7.6448 0.3364 0.0 0
M  V30 3 C 7.1448 1.2024 0.0 0
M  V30 4 C 6.9757 -0.4067 0.0 0
M  V30 5 N 6.1667 0.9945 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 O 5.1961 -1.4999 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0 CFG=2
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 1.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 3.098 1.866 0.0 0
M  V30 16 C 2.098 1.866 0.0 0
M  V30 17 O 0.866 1.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 N -0.9135 -0.0932 0.0 0
M  V30 20 C -0.1045 -1.4945 0.0 0
M  V30 21 C -1.5826 -0.8364 0.0 0
M  V30 22 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 11 10
M  V30 11 1 11 12 CFG=3
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 14 18
M  V30 18 1 18 19
M  V30 19 2 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 5 6
M  V30 23 1 15 16
M  V30 24 2 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001385675386

>  <name>
NA

>  <smiles>
Clc1c[nH]c(c1)C(=O)NCC(NC(=O)c1ccc[nH]1)C1CC1

$$$$
ZINC001427755540
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 8.6393 0.2318 0.0 0
M  V30 2 C 7.6448 0.3364 0.0 0
M  V30 3 C 7.1448 1.2024 0.0 0
M  V30 4 C 6.9757 -0.4067 0.0 0
M  V30 5 N 6.1667 0.9945 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 O 5.1961 -1.4999 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0 CFG=2
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 1.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 O 1.732 1.5 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.9135 -0.0932 0.0 0
M  V30 19 N -0.1045 -1.4945 0.0 0
M  V30 20 C -1.5826 -0.8364 0.0 0
M  V30 21 C -1.0826 -1.7024 0.0 0
M  V30 22 C -2.5771 -0.7318 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 11 10
M  V30 11 1 11 12 CFG=3
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 5 6
M  V30 23 2 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001427755540

>  <name>
NA

>  <smiles>
Cc1c[nH]c(n1)C(=O)NC(CO)CNC(=O)c1cc(Cl)c[nH]1

$$$$
ZINC001430690150
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 7.5515 2.1159 0.0 0
M  V30 2 C 7.1448 1.2024 0.0 0
M  V30 3 N 6.1667 0.9945 0.0 0
M  V30 4 C 7.6448 0.3364 0.0 0
M  V30 5 C 6.0621 0.0 0.0 0
M  V30 6 Cl 8.6393 0.2318 0.0 0
M  V30 7 C 6.9757 -0.4067 0.0 0
M  V30 8 C 5.1961 -0.5 0.0 0
M  V30 9 O 5.1961 -1.4999 0.0 0
M  V30 10 N 4.3301 0.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 C 2.598 0.0 0.0 0 CFG=1
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 2.598 1.0 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.9135 -0.0932 0.0 0
M  V30 19 C -0.1045 -1.4945 0.0 0
M  V30 20 C -1.5826 -0.8364 0.0 0
M  V30 21 C -1.0826 -1.7024 0.0 0
M  V30 22 F -1.4894 -2.6159 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 12 11
M  V30 12 1 12 13 CFG=1
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 2 5 7
M  V30 23 2 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001430690150

>  <name>
NA

>  <smiles>
CC(CNC(=O)c1cc(Cl)c(Cl)[nH]1)NC(=O)c1cc(F)c[nH]1

$$$$
ZINC001160644117
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.828 0.8716 0.0 0
M  V30 2 C 5.1588 0.1284 0.0 0
M  V30 3 N 5.4679 -0.8225 0.0 0
M  V30 4 C 4.1807 0.3364 0.0 0
M  V30 5 C 4.7987 -1.5657 0.0 0
M  V30 6 N 3.6807 1.2024 0.0 0
M  V30 7 C 3.5116 -0.4067 0.0 0
M  V30 8 N 5.1078 -2.5167 0.0 0
M  V30 9 N 3.8206 -1.3577 0.0 0
M  V30 10 C 2.7026 0.9945 0.0 0
M  V30 11 N 2.598 0.0 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 O 0.866 1.0 0.0 0
M  V30 15 N 0.0 -0.5 0.0 0
M  V30 16 C -0.866 0.0 0.0 0
M  V30 17 C 0.0 -1.4999 0.0 0
M  V30 18 C -1.732 -0.4999 0.0 0 CFG=1
M  V30 19 C -0.866 -1.9999 0.0 0
M  V30 20 O -1.732 -1.4999 0.0 0
M  V30 21 C -2.598 0.0 0.0 0
M  V30 22 N -3.4641 -0.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 5 9
M  V30 9 2 6 10
M  V30 10 1 7 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 18 16
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 18 21 CFG=1
M  V30 21 1 21 22
M  V30 22 1 7 9
M  V30 23 1 10 11
M  V30 24 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 18)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001160644117

>  <name>
NA

>  <smiles>
NCC1CN(CCO1)C(=O)Cn1cnc2c1[nH]c(=N)[nH]c2=O

$$$$
ZINC000529840529
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.75 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 C 5.1961 2.25 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 5.1961 3.75 0.0 0
M  V30 9 C 2.598 -0.75 0.0 0
M  V30 10 C 3.8971 4.5 0.0 0
M  V30 11 O 2.598 -2.25 0.0 0
M  V30 12 N 1.299 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 C -1.3703 -0.1398 0.0 0
M  V30 15 C -0.1567 -2.2417 0.0 0
M  V30 16 N -2.374 -1.2546 0.0 0
M  V30 17 C -1.6821 1.3273 0.0 0
M  V30 18 N -1.624 -2.5536 0.0 0
M  V30 19 O -0.6784 2.442 0.0 0
M  V30 20 C -3.0525 1.9374 0.0 0
M  V30 21 C -2.2341 -3.9239 0.0 0
M  V30 22 C -1.4284 3.741 0.0 0
M  V30 23 C -2.8957 3.4292 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 17 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 6 7
M  V30 24 1 16 18
M  V30 25 2 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000529840529

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)Nc1cn(C)nc1-c1ccco1

$$$$
ZINC000174065136
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 5.1961 1.5 0.0 0
M  V30 2 C 4.3301 1.0 0.0 0
M  V30 3 N 3.4641 1.5 0.0 0
M  V30 4 C 4.3301 0.0 0.0 0
M  V30 5 C 2.598 0.9999 0.0 0
M  V30 6 N 3.4641 -0.4999 0.0 0
M  V30 7 C 2.598 0.0 0.0 0
M  V30 8 N 1.732 -0.5 0.0 0
M  V30 9 C 0.866 0.0 0.0 0 CFG=1
M  V30 10 O 0.866 1.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C -0.866 0.0 0.0 0
M  V30 13 C 0.0 -1.4999 0.0 0
M  V30 14 C -1.732 -0.4999 0.0 0
M  V30 15 C -0.866 1.0 0.0 0
M  V30 16 C -0.866 -1.9999 0.0 0
M  V30 17 N -1.732 -1.4999 0.0 0
M  V30 18 C -2.598 0.0 0.0 0
M  V30 19 C -1.732 1.5 0.0 0
M  V30 20 O -0.866 -2.9999 0.0 0
M  V30 21 C -2.598 1.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 2 4
M  V30 4 2 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 2 7 8 CFG=2
M  V30 8 1 9 8
M  V30 9 1 9 10 CFG=3
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 2 11 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 14 18
M  V30 18 2 15 19
M  V30 19 2 16 20
M  V30 20 2 18 21
M  V30 21 1 6 7
M  V30 22 1 16 17
M  V30 23 1 19 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000174065136

>  <name>
NA

>  <smiles>
OC(N=c1cnc(Br)c[nH]1)c1cc(=O)[nH]c2ccccc12

$$$$
ZINC001365287191
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 -2.9999 0.0 0
M  V30 2 C 4.3301 -1.9999 0.0 0
M  V30 3 N 5.1961 -1.4999 0.0 0
M  V30 4 C 3.4641 -1.4999 0.0 0
M  V30 5 N 6.1472 -1.809 0.0 0
M  V30 6 C 5.1961 -0.4999 0.0 0
M  V30 7 C 3.4641 -0.5 0.0 0
M  V30 8 C 6.7349 -0.9999 0.0 0
M  V30 9 N 6.1472 -0.1909 0.0 0
M  V30 10 N 4.3301 0.0 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 N 7.7349 -0.9999 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 1.732 -1.5 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 C -0.866 0.0 0.0 0
M  V30 18 C 0.0 -1.4999 0.0 0
M  V30 19 C -1.732 -0.4999 0.0 0
M  V30 20 C -0.866 -1.9999 0.0 0
M  V30 21 O -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 7 10
M  V30 22 1 8 9
M  V30 23 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001365287191

>  <name>
NA

>  <smiles>
CN(CC1CCOCC1)Cc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC001429947232
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 8.4176 -2.6159 0.0 0
M  V30 2 C 8.0108 -1.7024 0.0 0
M  V30 3 C 8.5108 -0.8364 0.0 0
M  V30 4 C 7.0327 -1.4945 0.0 0
M  V30 5 N 7.8417 -0.0932 0.0 0
M  V30 6 C 6.9282 -0.5 0.0 0
M  V30 7 C 6.0621 0.0 0.0 0
M  V30 8 O 6.0621 0.9999 0.0 0
M  V30 9 N 5.1961 -0.5 0.0 0
M  V30 10 C 4.3301 0.0 0.0 0 CFG=2
M  V30 11 C 4.3301 1.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0
M  V30 13 C 4.8301 1.866 0.0 0
M  V30 14 C 3.8301 1.866 0.0 0
M  V30 15 N 2.598 0.0 0.0 0
M  V30 16 C 1.732 -0.5 0.0 0
M  V30 17 O 1.732 -1.5 0.0 0
M  V30 18 C 0.866 0.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 N -0.9135 -0.0932 0.0 0
M  V30 21 C -0.1045 -1.4945 0.0 0
M  V30 22 N -1.5826 -0.8364 0.0 0
M  V30 23 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 10 9 CFG=1
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 15 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 5 6
M  V30 24 1 13 14
M  V30 25 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 10)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001429947232

>  <name>
NA

>  <smiles>
Fc1c[nH]c(c1)C(=O)NC(CNC(=O)Cc1cc[nH]n1)C1CC1

$$$$
ZINC001495030282
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 8.6393 0.2318 0.0 0
M  V30 2 C 7.6448 0.3364 0.0 0
M  V30 3 N 7.1448 1.2024 0.0 0
M  V30 4 N 6.9757 -0.4067 0.0 0
M  V30 5 C 6.1667 0.9945 0.0 0
M  V30 6 C 7.5515 2.1159 0.0 0
M  V30 7 C 6.0621 0.0 0.0 0
M  V30 8 C 5.1961 -0.5 0.0 0
M  V30 9 O 5.1961 -1.4999 0.0 0
M  V30 10 N 4.3301 0.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 2.598 1.0 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.9135 -0.0932 0.0 0
M  V30 19 C -0.1045 -1.4945 0.0 0
M  V30 20 O -1.1214 0.8848 0.0 0
M  V30 21 N -1.5826 -0.8364 0.0 0
M  V30 22 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 5 7
M  V30 23 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001495030282

>  <name>
NA

>  <smiles>
CC(CNC(=O)c1cn(C)c(=O)[nH]1)NC(=O)C1CCNC1=O

$$$$
ZINC001182666881
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 1.5 0.0 0
M  V30 2 C 4.3301 1.0 0.0 0
M  V30 3 N 3.4641 1.5 0.0 0
M  V30 4 C 4.3301 0.0 0.0 0
M  V30 5 C 2.598 0.9999 0.0 0
M  V30 6 N 5.1961 -0.4999 0.0 0
M  V30 7 C 3.4641 -0.4999 0.0 0
M  V30 8 N 1.732 1.4999 0.0 0
M  V30 9 N 2.598 0.0 0.0 0
M  V30 10 C 1.732 -0.5 0.0 0
M  V30 11 O 1.732 -1.5 0.0 0
M  V30 12 C 0.866 0.0 0.0 0 CFG=2
M  V30 13 O 0.866 1.0 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0
M  V30 15 C 0.0 -1.4999 0.0 0
M  V30 16 C -0.866 0.0 0.0 0
M  V30 17 C -0.866 -1.9999 0.0 0
M  V30 18 C -1.732 -0.4999 0.0 0
M  V30 19 C -1.732 -1.4999 0.0 0
M  V30 20 C -1.0739 -2.9781 0.0 0
M  V30 21 O -2.4751 -2.1691 0.0 0
M  V30 22 C -2.0684 -3.0826 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 5 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 12 10
M  V30 12 1 12 13 CFG=1
M  V30 13 1 12 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 7 9
M  V30 23 1 18 19
M  V30 24 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001182666881

>  <name>
NA

>  <smiles>
Nc1cn(C(=O)C(O)c2ccc3OCCc3c2)c(=N)[nH]c1=O

$$$$
ZINC001413979466
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.7499 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 N 7.6099 2.5036 0.0 0
M  V30 6 C 5.1961 2.25 0.0 0
M  V30 7 C 3.8971 0.0 0.0 0
M  V30 8 C 6.9998 3.874 0.0 0
M  V30 9 N 5.508 3.7172 0.0 0
M  V30 10 N 3.8971 1.5 0.0 0
M  V30 11 C 2.598 -0.75 0.0 0
M  V30 12 N 7.7498 5.173 0.0 0
M  V30 13 N 1.299 0.0 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0 CFG=2
M  V30 15 C -0.1567 -2.2417 0.0 0
M  V30 16 C -1.3703 -0.1398 0.0 0
M  V30 17 C -0.0785 0.7479 0.0 0
M  V30 18 O -1.624 -2.5536 0.0 0
M  V30 19 C -2.374 -1.2546 0.0 0
M  V30 20 C 1.1795 1.5649 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13 CFG=3
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 7 10
M  V30 21 1 8 9
M  V30 22 1 18 19
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001413979466

>  <name>
NA

>  <smiles>
CCC1(CCOC1)NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC001157082070
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 0.9999 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 O 5.1961 -0.5 0.0 0
M  V30 4 C 3.4641 -0.5 0.0 0
M  V30 5 C 6.0621 0.0 0.0 0
M  V30 6 N 2.598 0.0 0.0 0
M  V30 7 C 3.4641 -1.5 0.0 0
M  V30 8 C 6.9282 -0.5 0.0 0
M  V30 9 C 1.732 -0.5 0.0 0
M  V30 10 C 4.3301 -2.0 0.0 0
M  V30 11 O 1.732 -1.5 0.0 0
M  V30 12 C 0.866 0.0 0.0 0
M  V30 13 N 4.4346 -2.9945 0.0 0
M  V30 14 C 5.2436 -1.5932 0.0 0
M  V30 15 N 0.866 1.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 C 5.4128 -3.2024 0.0 0
M  V30 18 N 5.9128 -2.3364 0.0 0
M  V30 19 C -0.866 0.0 0.0 0
M  V30 20 C 0.0 -1.4999 0.0 0
M  V30 21 C -1.732 -0.4999 0.0 0
M  V30 22 C -0.866 -1.9999 0.0 0
M  V30 23 C -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 2 10 14
M  V30 14 1 12 15
M  V30 15 1 12 16
M  V30 16 2 13 17
M  V30 17 1 14 18
M  V30 18 2 16 19
M  V30 19 1 16 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 2 21 23
M  V30 23 1 17 18
M  V30 24 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001157082070

>  <name>
NA

>  <smiles>
CCOC(=O)C(Cc1c[nH]cn1)NC(=O)C(N)c1ccccc1

$$$$
ZINC000346764047
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 -0.5 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 N 6.0621 0.9999 0.0 0
M  V30 4 C 5.1961 -0.5 0.0 0
M  V30 5 C 5.1961 1.4999 0.0 0
M  V30 6 C 4.3301 0.0 0.0 0
M  V30 7 C 4.3301 1.0 0.0 0
M  V30 8 C 5.1961 2.5 0.0 0
M  V30 9 C 3.4641 -0.5 0.0 0
M  V30 10 C 4.3301 3.0 0.0 0
M  V30 11 O 3.4641 -1.5 0.0 0
M  V30 12 N 2.598 0.0 0.0 0
M  V30 13 C 1.732 -0.5 0.0 0
M  V30 14 C 1.732 -1.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 C 2.598 -0.9999 0.0 0
M  V30 17 C 0.866 -1.9999 0.0 0
M  V30 18 C 2.598 -2.0 0.0 0
M  V30 19 O 0.866 1.0 0.0 0
M  V30 20 N 0.0 -0.5 0.0 0
M  V30 21 C 0.866 -2.9999 0.0 0
M  V30 22 C 2.598 -3.0 0.0 0
M  V30 23 C 1.732 -3.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 14 18
M  V30 18 2 15 19
M  V30 19 1 15 20
M  V30 20 1 17 21
M  V30 21 2 18 22
M  V30 22 2 21 23
M  V30 23 1 6 7
M  V30 24 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000346764047

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC(C)(C(N)=O)c1ccccc1

$$$$
ZINC000673127104
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 8.4128 1.2024 0.0 0
M  V30 2 C 7.4128 1.2024 0.0 0
M  V30 3 C 6.9128 0.3364 0.0 0
M  V30 4 C 6.9128 2.0684 0.0 0
M  V30 5 C 5.9128 0.3364 0.0 0
M  V30 6 C 5.9128 2.0684 0.0 0
M  V30 7 C 5.4128 1.2024 0.0 0
M  V30 8 C 5.2436 -0.4067 0.0 0
M  V30 9 N 4.4346 0.9945 0.0 0
M  V30 10 C 4.3301 0.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 O 3.4641 -1.5 0.0 0
M  V30 13 N 2.598 0.0 0.0 0
M  V30 14 C 1.732 -0.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 N -0.9135 -0.0932 0.0 0
M  V30 18 C -0.1045 -1.4945 0.0 0
M  V30 19 C -1.5826 -0.8364 0.0 0
M  V30 20 S -1.0826 -1.7024 0.0 0
M  V30 21 O -2.5771 -0.7318 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 2 8 10
M  V30 10 1 10 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 6 7
M  V30 22 1 9 10
M  V30 23 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000673127104

>  <name>
NA

>  <smiles>
Clc1ccc2[nH]c(cc2c1)C(=O)NCCc1csc(=O)[nH]1

$$$$
ZINC001388927869
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 11.6913 0.0 0.0 0
M  V30 2 O 12.4413 1.299 0.0 0
M  V30 3 O 10.9413 1.299 0.0 0
M  V30 4 N 10.3923 -0.75 0.0 0
M  V30 5 C 12.9904 -0.75 0.0 0
M  V30 6 C 9.0932 0.0 0.0 0
M  V30 7 C 14.2894 0.0 0.0 0
M  V30 8 C 7.7942 -0.75 0.0 0
M  V30 9 O 7.7942 -2.25 0.0 0
M  V30 10 N 6.4952 0.0 0.0 0
M  V30 11 C 5.1961 -0.75 0.0 0
M  V30 12 C 3.8971 0.0 0.0 0 CFG=2
M  V30 13 N 2.598 -0.75 0.0 0
M  V30 14 C 3.8971 1.5 0.0 0
M  V30 15 C 1.299 0.0 0.0 0
M  V30 16 C 5.1961 2.25 0.0 0
M  V30 17 C 2.598 2.25 0.0 0
M  V30 18 O 1.299 1.5 0.0 0
M  V30 19 C 0.0 -0.75 0.0 0
M  V30 20 N -1.3703 -0.1398 0.0 0
M  V30 21 C -0.1567 -2.2417 0.0 0
M  V30 22 C -2.374 -1.2546 0.0 0
M  V30 23 C -1.624 -2.5536 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 2 1 3
M  V30 3 1 1 4
M  V30 4 1 1 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 12 11
M  V30 12 1 12 13 CFG=3
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 15 19
M  V30 19 1 19 20
M  V30 20 2 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001388927869

>  <name>
NA

>  <smiles>
CCS(=O)(=O)NCC(=O)NCC(NC(=O)c1ccc[nH]1)C(C)C

$$$$
ZINC001422056997
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 -0.5 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 N 6.0621 0.9999 0.0 0
M  V30 4 C 5.1961 -0.4999 0.0 0
M  V30 5 N 6.8053 1.6691 0.0 0
M  V30 6 C 5.1961 1.4999 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 6.3985 2.5826 0.0 0
M  V30 9 N 5.404 2.4781 0.0 0
M  V30 10 N 4.3301 1.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 6.8985 3.4487 0.0 0
M  V30 13 N 2.598 0.0 0.0 0
M  V30 14 C 1.732 -0.5 0.0 0 CFG=2
M  V30 15 C 1.732 -1.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 1.0249 -2.2071 0.0 0
M  V30 18 C 2.4391 -2.2071 0.0 0
M  V30 19 O 0.0 -0.5 0.0 0
M  V30 20 C 1.732 -2.9142 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13 CFG=3
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 7 10
M  V30 21 1 8 9
M  V30 22 1 18 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001422056997

>  <name>
NA

>  <smiles>
OCC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)C1CCC1

$$$$
ZINC001176427566
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.0029 -0.9999 0.0 0
M  V30 2 C 5.0029 -0.9999 0.0 0
M  V30 3 N 4.4151 -0.1909 0.0 0
M  V30 4 C 4.4151 -1.809 0.0 0
M  V30 5 C 3.4641 -0.4999 0.0 0
M  V30 6 C 4.7241 0.76 0.0 0
M  V30 7 C 3.4641 -1.4999 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 C 2.598 -2.0 0.0 0
M  V30 10 C 1.732 -0.5 0.0 0
M  V30 11 C 1.732 -1.4999 0.0 0
M  V30 12 N 0.866 0.0 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0
M  V30 14 C 0.0 -1.4999 0.0 0
M  V30 15 C -0.866 0.0 0.0 0
M  V30 16 C -0.866 -1.9999 0.0 0
M  V30 17 C -1.732 -0.4999 0.0 0
M  V30 18 C -1.732 -1.4999 0.0 0
M  V30 19 C -1.0739 -2.9781 0.0 0
M  V30 20 N -2.4751 -2.1691 0.0 0
M  V30 21 C -2.0684 -3.0826 0.0 0
M  V30 22 O -2.5684 -3.9487 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 2 8 10
M  V30 10 2 9 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 21 22
M  V30 22 2 5 7
M  V30 23 1 10 11
M  V30 24 1 17 18
M  V30 25 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001176427566

>  <name>
NA

>  <smiles>
Cn1c(O)cc2ccc(Nc3ccc4[nH]c(O)cc4c3)cc12

$$$$
ZINC000621264424
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 -2.9999 0.0 0
M  V30 2 C 4.3301 -1.9999 0.0 0
M  V30 3 N 5.1961 -1.4999 0.0 0
M  V30 4 C 3.4641 -1.4999 0.0 0
M  V30 5 N 6.1472 -1.809 0.0 0
M  V30 6 C 5.1961 -0.4999 0.0 0
M  V30 7 C 3.4641 -0.5 0.0 0
M  V30 8 C 6.7349 -0.9999 0.0 0
M  V30 9 N 6.1472 -0.1909 0.0 0
M  V30 10 N 4.3301 0.0 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 N 7.7349 -0.9999 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 1.732 -1.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 C 0.866 -2.0 0.0 0
M  V30 17 C 2.598 -1.9999 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 O 0.0 -1.4999 0.0 0
M  V30 20 C 0.866 -3.0 0.0 0
M  V30 21 C 2.598 -2.9999 0.0 0
M  V30 22 C -0.866 -1.9999 0.0 0
M  V30 23 C 1.732 -3.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 16 20
M  V30 20 2 17 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 7 10
M  V30 24 1 8 9
M  V30 25 1 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000621264424

>  <name>
NA

>  <smiles>
CCN(Cc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccccc1OC

$$$$
ZINC000815368022
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -1.9999 0.0 0
M  V30 2 C 1.732 -1.4999 0.0 0
M  V30 3 N 1.732 -0.5 0.0 0
M  V30 4 C 0.866 -1.9999 0.0 0
M  V30 5 C 0.866 0.0 0.0 0 CFG=2
M  V30 6 N 0.7614 -2.9945 0.0 0
M  V30 7 C -0.0475 -1.5932 0.0 0
M  V30 8 C 0.866 1.0 0.0 0
M  V30 9 C 0.0 -0.5 0.0 0
M  V30 10 C -0.2166 -3.2024 0.0 0
M  V30 11 C -0.7166 -2.3364 0.0 0
M  V30 12 C 1.732 1.5 0.0 0
M  V30 13 C 0.0 1.5 0.0 0
M  V30 14 C -1.7111 -2.2318 0.0 0
M  V30 15 C 1.732 2.5 0.0 0
M  V30 16 C 0.0 2.4999 0.0 0
M  V30 17 O -2.2989 -3.0408 0.0 0
M  V30 18 C 0.866 3.0 0.0 0
M  V30 19 C 2.4751 3.1691 0.0 0
M  V30 20 N 1.0739 3.9781 0.0 0
M  V30 21 C 2.0684 4.0826 0.0 0
M  V30 22 C 0.4048 4.7212 0.0 0
M  V30 23 O 2.5684 4.9487 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 3 CFG=1
M  V30 5 1 4 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 8 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 2 14 17
M  V30 17 2 15 18
M  V30 18 1 15 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 2 10 11
M  V30 24 1 16 18
M  V30 25 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000815368022

>  <name>
NA

>  <smiles>
CC(NC(=O)c1cc(C=O)c[nH]1)c1ccc2n(C)c(O)cc2c1

$$$$
ZINC001365231946
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 3.4641 -1.4999 0.0 0
M  V30 2 C 3.4641 -0.4999 0.0 0
M  V30 3 C 2.598 -2.0 0.0 0
M  V30 4 C 2.598 0.0 0.0 0
M  V30 5 C 4.3301 0.0 0.0 0
M  V30 6 N 1.732 -0.5 0.0 0
M  V30 7 C 2.598 1.0 0.0 0
M  V30 8 C 4.3301 1.0 0.0 0
M  V30 9 C 0.866 0.0 0.0 0
M  V30 10 C 3.4641 1.5 0.0 0
M  V30 11 F 5.1961 1.5 0.0 0
M  V30 12 O 0.866 1.0 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 C -1.5826 -0.8364 0.0 0
M  V30 17 C -1.0826 -1.7024 0.0 0
M  V30 18 C -2.5771 -0.7318 0.0 0
M  V30 19 C -1.4894 -2.6159 0.0 0
M  V30 20 O -2.9839 0.1816 0.0 0
M  V30 21 N -3.1649 -1.5408 0.0 0
M  V30 22 O -2.4839 -2.7205 0.0 0
M  V30 23 N -0.9016 -3.4249 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 1 4 6
M  V30 6 1 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 2 7 10
M  V30 10 1 8 11
M  V30 11 2 9 12
M  V30 12 1 9 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 1 19 23
M  V30 23 1 8 10
M  V30 24 1 16 17
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001365231946

>  <name>
NA

>  <smiles>
CSc1cc(F)ccc1NC(=O)N1CC(C(C1)C(N)=O)C(N)=O

$$$$
ZINC001587447651
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 0.0 0.0 0
M  V30 2 C 3.4641 -0.5 0.0 0
M  V30 3 N 2.598 0.0 0.0 0
M  V30 4 C 3.4641 -1.5 0.0 0
M  V30 5 C 1.732 -0.5 0.0 0
M  V30 6 C 2.598 -1.9999 0.0 0
M  V30 7 C 4.3301 -2.0 0.0 0
M  V30 8 C 0.866 0.0 0.0 0
M  V30 9 N 1.647 -1.6909 0.0 0
M  V30 10 C 2.598 -3.0 0.0 0
M  V30 11 N 4.3301 -2.9999 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C 1.0592 -2.4999 0.0 0
M  V30 14 N 1.647 -3.309 0.0 0
M  V30 15 C 3.4641 -3.5 0.0 0
M  V30 16 N -0.9135 -0.0932 0.0 0
M  V30 17 N -0.1045 -1.4945 0.0 0
M  V30 18 C -1.5826 -0.8364 0.0 0
M  V30 19 C -1.0826 -1.7024 0.0 0
M  V30 20 C -2.5826 -0.8364 0.0 0
M  V30 21 C -1.5826 -2.5684 0.0 0
M  V30 22 C -3.0826 -1.7024 0.0 0
M  V30 23 C -2.5826 -2.5684 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 2 7 11
M  V30 11 1 8 12
M  V30 12 2 9 13
M  V30 13 1 10 14
M  V30 14 2 10 15
M  V30 15 2 12 16
M  V30 16 1 12 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 2 21 23
M  V30 23 1 11 15
M  V30 24 1 13 14
M  V30 25 2 18 19
M  V30 26 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001587447651

>  <name>
NA

>  <smiles>
O=C(NCCc1nc2ccccc2[nH]1)c1cncc2[nH]cnc12

$$$$
ZINC001297447621
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 8.6393 0.2318 0.0 0
M  V30 2 C 7.6448 0.3364 0.0 0
M  V30 3 C 7.1448 1.2024 0.0 0
M  V30 4 C 6.9757 -0.4067 0.0 0
M  V30 5 N 6.1667 0.9945 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 O 5.1961 -1.4999 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 1.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 1.732 1.5 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.9135 -0.0932 0.0 0
M  V30 19 C -0.1045 -1.4945 0.0 0
M  V30 20 O -1.1214 0.8848 0.0 0
M  V30 21 N -1.5826 -0.8364 0.0 0
M  V30 22 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 5 6
M  V30 23 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001297447621

>  <name>
NA

>  <smiles>
CCC(CNC(=O)c1cc(F)c[nH]1)NC(=O)C1CCNC1=O

$$$$
ZINC001182658745
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 7.2451 -1.299 0.0 0
M  V30 2 C 6.4952 0.0 0.0 0
M  V30 3 F 7.9951 0.0 0.0 0
M  V30 4 C 6.4952 1.5 0.0 0
M  V30 5 C 5.1961 -0.75 0.0 0
M  V30 6 O 7.7942 2.25 0.0 0
M  V30 7 C 5.1961 2.25 0.0 0
M  V30 8 N 3.8971 0.0 0.0 0
M  V30 9 C 3.8971 1.5 0.0 0
M  V30 10 C 2.598 -0.75 0.0 0
M  V30 11 O 2.598 -2.25 0.0 0
M  V30 12 C 1.299 0.0 0.0 0 CFG=2
M  V30 13 O 1.299 1.5 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 C 0.0 -2.25 0.0 0
M  V30 16 C -1.299 0.0 0.0 0
M  V30 17 C -1.299 -3.0 0.0 0
M  V30 18 C -2.598 -0.75 0.0 0
M  V30 19 C -2.598 -2.25 0.0 0
M  V30 20 C -1.6109 -4.4672 0.0 0
M  V30 21 O -3.7128 -3.2537 0.0 0
M  V30 22 C -3.1026 -4.624 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 4 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 10 11
M  V30 11 1 12 10
M  V30 12 1 12 13 CFG=1
M  V30 13 1 12 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 8 9
M  V30 23 1 18 19
M  V30 24 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001182658745

>  <name>
NA

>  <smiles>
OC(C(=O)N1CCC(=O)C(F)(F)C1)c1ccc2OCCc2c1

$$$$
ZINC000963934171
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 15.2127 -6.986 0.0 0
M  V30 2 C 13.8425 -6.3759 0.0 0
M  V30 3 F 15.0559 -5.4942 0.0 0
M  V30 4 C 12.8388 -5.2612 0.0 0
M  V30 5 C 13.0925 -7.6749 0.0 0
M  V30 6 C 11.4684 -5.8713 0.0 0 CFG=2
M  V30 7 C 11.6252 -7.3631 0.0 0
M  V30 8 C 10.1694 -5.1213 0.0 0
M  V30 9 O 8.8704 -5.8713 0.0 0
M  V30 10 N 10.1694 -3.6213 0.0 0
M  V30 11 C 8.8704 -2.8713 0.0 0
M  V30 12 C 8.4821 -1.4224 0.0 0
M  V30 13 C 7.4215 -3.2595 0.0 0
M  V30 14 C 7.0332 -1.8106 0.0 0
M  V30 15 C 6.645 -0.3617 0.0 0
M  V30 16 C 5.5843 -2.1988 0.0 0
M  V30 17 C 5.1961 -0.75 0.0 0
M  V30 18 N 3.8971 0.0 0.0 0
M  V30 19 C 2.598 -0.75 0.0 0
M  V30 20 C 1.299 0.0 0.0 0
M  V30 21 O 1.299 1.5 0.0 0
M  V30 22 N 0.0 -0.75 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 6 4
M  V30 6 1 5 7
M  V30 7 1 6 8 CFG=3
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 2 20 21
M  V30 21 1 20 22
M  V30 22 1 6 7
M  V30 23 1 13 14
M  V30 24 1 16 17
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000963934171

>  <name>
NA

>  <smiles>
NC(=O)CNC1CC2(C1)CC(C2)NC(=O)C1CCC(F)(F)C1

$$$$
ZINC001640608737
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 6.9282 1.4999 0.0 0
M  V30 2 C 6.0621 0.9999 0.0 0
M  V30 3 C 5.1961 1.4999 0.0 0
M  V30 4 C 6.0621 0.0 0.0 0
M  V30 5 C 4.3301 0.9999 0.0 0
M  V30 6 C 5.1961 -0.5 0.0 0
M  V30 7 F 3.4641 1.5 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 10 O 3.4641 -1.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 O 2.598 1.0 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 N -0.866 0.0 0.0 0
M  V30 17 C 0.0 -1.4999 0.0 0
M  V30 18 C -1.732 -0.4999 0.0 0
M  V30 19 C -0.866 -1.9999 0.0 0
M  V30 20 S -2.598 0.0 0.0 0
M  V30 21 N -1.732 -1.4999 0.0 0
M  V30 22 O -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 9 8
M  V30 9 1 9 10 CFG=1
M  V30 10 1 9 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 2 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 1 6 8
M  V30 23 1 19 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001640608737

>  <name>
NA

>  <smiles>
OC(C(=O)NCc1cc(=O)[nH]c(=S)[nH]1)c1ccc(Cl)cc1F

$$$$
ZINC001559698381
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 9.0932 -4.5 0.0 0
M  V30 2 C 9.0932 -3.0 0.0 0
M  V30 3 N 10.3923 -2.25 0.0 0
M  V30 4 C 7.7942 -2.2499 0.0 0
M  V30 5 N 11.8188 -2.7135 0.0 0
M  V30 6 C 10.3923 -0.75 0.0 0
M  V30 7 C 7.7942 -0.75 0.0 0
M  V30 8 C 12.7005 -1.5 0.0 0
M  V30 9 N 11.8188 -0.2864 0.0 0
M  V30 10 N 9.0932 0.0 0.0 0
M  V30 11 C 6.4951 0.0 0.0 0
M  V30 12 N 14.2005 -1.5 0.0 0
M  V30 13 N 5.1961 -0.75 0.0 0
M  V30 14 C 3.8971 0.0 0.0 0 CFG=2
M  V30 15 C 3.8971 1.5 0.0 0
M  V30 16 C 2.598 -0.75 0.0 0
M  V30 17 C 5.1961 2.25 0.0 0
M  V30 18 C 2.598 2.2499 0.0 0
M  V30 19 C 1.299 0.0 0.0 0
M  V30 20 C 5.1961 3.75 0.0 0
M  V30 21 C 2.598 3.75 0.0 0
M  V30 22 O 0.0 -0.75 0.0 0
M  V30 23 C 3.8971 4.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13 CFG=1
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 7 10
M  V30 24 1 8 9
M  V30 25 1 21 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001559698381

>  <name>
NA

>  <smiles>
OCCC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccccc1

$$$$
ZINC000123084081
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 18 19 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 5.1961 1.5 0.0 0
M  V30 2 C 4.3301 1.0 0.0 0
M  V30 3 C 3.4641 1.5 0.0 0
M  V30 4 C 4.3301 0.0 0.0 0
M  V30 5 C 2.598 0.9999 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 O 1.732 1.4999 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 N 1.732 -0.5 0.0 0
M  V30 10 C 0.866 0.0 0.0 0
M  V30 11 O 0.866 1.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0 CFG=2
M  V30 13 C -0.866 0.0 0.0 0
M  V30 14 C 0.0 -1.4999 0.0 0
M  V30 15 C -1.732 -0.4999 0.0 0
M  V30 16 C -0.866 -1.9999 0.0 0
M  V30 17 O -2.598 0.0 0.0 0
M  V30 18 N -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 12 10 CFG=1
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 6 8
M  V30 19 1 16 18
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000123084081

>  <name>
NA

>  <smiles>
Oc1cc(Br)ccc1NC(=O)C1CCNC(=O)C1

$$$$
ZINC001407663165
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 7.6448 0.3364 0.0 0
M  V30 2 C 7.1448 1.2024 0.0 0
M  V30 3 C 6.9757 -0.4067 0.0 0
M  V30 4 O 7.5515 2.1159 0.0 0
M  V30 5 N 6.1667 0.9945 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 O 5.1961 -1.4999 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 1.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 3.098 1.866 0.0 0
M  V30 16 C 2.098 1.866 0.0 0
M  V30 17 O 0.866 1.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 N -0.9135 -0.0932 0.0 0
M  V30 20 C -0.1045 -1.4945 0.0 0
M  V30 21 C -1.5826 -0.8364 0.0 0
M  V30 22 N -1.0826 -1.7024 0.0 0
M  V30 23 O -2.5771 -0.7318 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 14 18
M  V30 18 1 18 19
M  V30 19 2 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 5 6
M  V30 24 1 15 16
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001407663165

>  <name>
NA

>  <smiles>
OC(NC(CNC(=O)c1csc(=O)[nH]1)C1CC1)c1c[nH]c(=O)[nH]1

$$$$
ZINC000133760208
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S -0.891 1.0432 0.0 0
M  V30 2 C -0.0523 0.4986 0.0 0
M  V30 3 C -0.6321 2.0091 0.0 0
M  V30 4 N 0.7248 1.1279 0.0 0
M  V30 5 C 0.0 -0.5 0.0 0
M  V30 6 C 0.3664 2.0615 0.0 0
M  V30 7 N 0.866 0.0 0.0 0
M  V30 8 C -0.1045 -1.4945 0.0 0
M  V30 9 C -0.9135 -0.0932 0.0 0
M  V30 10 C 0.911 2.9002 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0
M  V30 12 C -1.0826 -1.7024 0.0 0
M  V30 13 C -1.5826 -0.8364 0.0 0
M  V30 14 O 2.598 0.0 0.0 0
M  V30 15 C 1.732 -1.5 0.0 0
M  V30 16 C 0.866 -1.9999 0.0 0
M  V30 17 C 2.598 -2.0 0.0 0
M  V30 18 C 0.866 -2.9999 0.0 0
M  V30 19 C 2.598 -3.0 0.0 0
M  V30 20 O 0.0 -3.4999 0.0 0
M  V30 21 N 1.732 -3.5 0.0 0
M  V30 22 C 3.4641 -3.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 8 12
M  V30 12 1 9 13
M  V30 13 2 11 14
M  V30 14 1 11 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 4 6
M  V30 23 1 12 13
M  V30 24 1 19 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000133760208

>  <name>
NA

>  <smiles>
Cc1csc(n1)C1(CCCC1)NC(=O)c1cc(C)[nH]c(=O)c1

$$$$
ZINC001362752291
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.4641 -0.5 0.0 0
M  V30 2 C 2.598 0.0 0.0 0
M  V30 3 N 1.732 -0.5 0.0 0
M  V30 4 C 2.598 1.0 0.0 0
M  V30 5 C 0.866 0.0 0.0 0
M  V30 6 C 3.4641 1.5 0.0 0
M  V30 7 C 1.732 1.4999 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 C 3.4641 2.5 0.0 0
M  V30 10 C 4.3301 1.0 0.0 0
M  V30 11 C 1.732 2.5 0.0 0
M  V30 12 N -0.9135 -0.0932 0.0 0
M  V30 13 N -0.1045 -1.4945 0.0 0
M  V30 14 C 2.598 3.0 0.0 0
M  V30 15 C 4.3301 3.0 0.0 0
M  V30 16 C 5.1961 1.4999 0.0 0
M  V30 17 C -1.5826 -0.8364 0.0 0 CFG=2
M  V30 18 N -1.0826 -1.7024 0.0 0
M  V30 19 O 2.598 4.0 0.0 0
M  V30 20 C 5.1961 2.4999 0.0 0
M  V30 21 C -2.5771 -0.7318 0.0 0
M  V30 22 C -3.1649 -1.5408 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 2 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 8 13
M  V30 13 1 9 14
M  V30 14 2 9 15
M  V30 15 1 10 16
M  V30 16 1 17 12
M  V30 17 1 13 18
M  V30 18 1 14 19
M  V30 19 1 15 20
M  V30 20 1 17 21 CFG=3
M  V30 21 1 21 22
M  V30 22 2 11 14
M  V30 23 2 16 20
M  V30 24 1 17 18
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 17)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001362752291

>  <name>
NA

>  <smiles>
CCC1NNC(CNC(=O)c2ccc(O)c3ccccc23)=N1

$$$$
ZINC001322479334
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 4.3301 -2.9999 0.0 0
M  V30 2 C 4.3301 -1.9999 0.0 0
M  V30 3 C 5.1961 -1.5 0.0 0
M  V30 4 C 3.4641 -1.5 0.0 0
M  V30 5 O 6.0621 -2.0 0.0 0
M  V30 6 N 5.1961 -0.5 0.0 0
M  V30 7 C 3.4641 -0.5 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 C 2.598 0.0 0.0 0
M  V30 10 C 4.3301 1.0 0.0 0
M  V30 11 O 2.598 1.0 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0
M  V30 15 C -0.866 0.0 0.0 0
M  V30 16 C 0.0 -1.4999 0.0 0
M  V30 17 C -1.732 -0.4999 0.0 0
M  V30 18 C -0.866 -1.9999 0.0 0
M  V30 19 C -1.732 -1.4999 0.0 0
M  V30 20 C -2.598 0.0 0.0 0
M  V30 21 F -2.598 1.0 0.0 0
M  V30 22 F -3.4641 -0.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 2 4
M  V30 4 2 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 2 7 8
M  V30 23 1 18 19
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001322479334

>  <name>
NA

>  <smiles>
Cc1[nH]c(=O)c(Br)cc1C(=O)NCc1cccc(c1)C(F)F

$$$$
ZINC001171831670
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 13.8355 0.2318 0.0 0
M  V30 2 C 12.841 0.3364 0.0 0
M  V30 3 C 12.341 1.2024 0.0 0
M  V30 4 C 12.1718 -0.4067 0.0 0
M  V30 5 N 11.3628 0.9945 0.0 0
M  V30 6 C 11.2583 0.0 0.0 0
M  V30 7 C 10.3923 -0.5 0.0 0
M  V30 8 O 10.3923 -1.5 0.0 0
M  V30 9 N 9.5262 0.0 0.0 0
M  V30 10 C 8.6602 -0.5 0.0 0 CFG=2
M  V30 11 C 7.7942 0.0 0.0 0
M  V30 12 C 8.6602 -1.4999 0.0 0
M  V30 13 C 6.9282 -0.5 0.0 0
M  V30 14 C 6.0621 0.0 0.0 0
M  V30 15 C 5.1961 -0.5 0.0 0
M  V30 16 N 4.3301 0.0 0.0 0
M  V30 17 C 3.4641 -0.5 0.0 0
M  V30 18 C 2.598 0.0 0.0 0
M  V30 19 O 2.598 1.0 0.0 0
M  V30 20 N 1.732 -0.5 0.0 0
M  V30 21 C 0.866 0.0 0.0 0
M  V30 22 O 0.866 1.0 0.0 0
M  V30 23 N 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 10 9 CFG=1
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 2 21 22
M  V30 22 1 21 23
M  V30 23 1 5 6
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 10)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001171831670

>  <name>
NA

>  <smiles>
CC(CCCCNCC(=O)NC(N)=O)NC(=O)c1cc(F)c[nH]1

$$$$
ZINC001294754636
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.9282 1.4999 0.0 0
M  V30 2 C 6.0621 0.9999 0.0 0
M  V30 3 C 5.1961 1.4999 0.0 0
M  V30 4 C 6.0621 0.0 0.0 0
M  V30 5 C 4.3301 0.9999 0.0 0
M  V30 6 C 5.1961 -0.5 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0
M  V30 9 O 3.4641 -1.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 N 1.732 -0.5 0.0 0
M  V30 12 C 2.598 1.0 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 O 0.866 1.0 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 C -0.866 0.0 0.0 0
M  V30 17 C 0.0 -1.4999 0.0 0
M  V30 18 N -1.0739 0.9781 0.0 0
M  V30 19 C -1.732 -0.4999 0.0 0
M  V30 20 C -0.866 -1.9999 0.0 0
M  V30 21 C -2.0684 1.0826 0.0 0
M  V30 22 N -2.4751 0.1691 0.0 0
M  V30 23 C -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 2 18 21
M  V30 21 1 19 22
M  V30 22 2 19 23
M  V30 23 1 6 7
M  V30 24 1 20 23
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001294754636

>  <name>
NA

>  <smiles>
CC(NC(=O)c1cccc2[nH]cnc12)C(O)c1ccc(F)cc1

$$$$
ZINC001558515976
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 9.0932 0.0 0.0 0
M  V30 2 C 7.7942 -0.75 0.0 0
M  V30 3 N 6.4951 0.0 0.0 0
M  V30 4 C 7.7942 -2.25 0.0 0
M  V30 5 C 5.1961 -0.75 0.0 0
M  V30 6 C 6.4951 -3.0 0.0 0
M  V30 7 C 5.1961 -2.25 0.0 0
M  V30 8 C 3.8971 0.0 0.0 0
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 1.299 0.0 0.0 0
M  V30 11 C 2.598 -2.25 0.0 0
M  V30 12 O 1.299 1.5 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 N -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.2499 0.0 0
M  V30 16 C -2.598 -0.7499 0.0 0
M  V30 17 C -1.299 -2.9999 0.0 0
M  V30 18 N -4.0246 -0.2864 0.0 0
M  V30 19 C -2.598 -2.2499 0.0 0
M  V30 20 C -4.9063 -1.4999 0.0 0
M  V30 21 N -4.0246 -2.7135 0.0 0
M  V30 22 O -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 2 10 12
M  V30 12 1 10 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 16 18
M  V30 18 2 16 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 6 7
M  V30 23 1 17 19
M  V30 24 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001558515976

>  <name>
NA

>  <smiles>
CN(Cc1cccc(=O)[nH]1)C(=O)c1ccc2[nH]c(=O)[nH]c2n1

$$$$
ZINC001399806984
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 8.4176 -2.6159 0.0 0
M  V30 2 C 8.0108 -1.7024 0.0 0
M  V30 3 C 8.5108 -0.8364 0.0 0
M  V30 4 C 7.0327 -1.4945 0.0 0
M  V30 5 N 7.8417 -0.0932 0.0 0
M  V30 6 C 6.9282 -0.5 0.0 0
M  V30 7 C 6.0621 0.0 0.0 0
M  V30 8 O 6.0621 0.9999 0.0 0
M  V30 9 N 5.1961 -0.5 0.0 0
M  V30 10 C 4.3301 0.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 O 3.4641 -1.5 0.0 0
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 O -2.598 0.0 0.0 0
M  V30 23 C -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 5 6
M  V30 24 1 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001399806984

>  <name>
NA

>  <smiles>
OC(CNC(=O)C1CCCC(=O)N1)CNC(=O)c1cc(Cl)c[nH]1

$$$$
ZINC001386473907
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 7.8298 -3.4249 0.0 0
M  V30 2 C 8.4176 -2.6159 0.0 0
M  V30 3 F 9.4121 -2.7205 0.0 0
M  V30 4 C 8.0108 -1.7024 0.0 0
M  V30 5 N 8.5108 -0.8364 0.0 0
M  V30 6 C 7.0327 -1.4945 0.0 0
M  V30 7 N 7.8417 -0.0932 0.0 0
M  V30 8 C 6.9282 -0.5 0.0 0
M  V30 9 C 6.0621 0.0 0.0 0
M  V30 10 O 6.0621 0.9999 0.0 0
M  V30 11 N 5.1961 -0.5 0.0 0
M  V30 12 C 4.3301 0.0 0.0 0
M  V30 13 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 14 N 2.598 0.0 0.0 0
M  V30 15 C 3.4641 -1.5 0.0 0
M  V30 16 C 1.732 -0.5 0.0 0
M  V30 17 O 1.732 -1.5 0.0 0
M  V30 18 C 0.866 0.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 N -0.9135 -0.0932 0.0 0
M  V30 21 C -0.1045 -1.4945 0.0 0
M  V30 22 N -1.5826 -0.8364 0.0 0
M  V30 23 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 4 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 13 12
M  V30 13 1 13 14 CFG=3
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 2 7 8
M  V30 24 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001386473907

>  <name>
NA

>  <smiles>
CC(CNC(=O)c1cc([nH]n1)C(F)F)NC(=O)Cc1cc[nH]n1

$$$$
ZINC001637454294
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.0621 0.0 0.0 0
M  V30 2 C 5.1961 -0.5 0.0 0
M  V30 3 C 4.3301 0.0 0.0 0
M  V30 4 C 5.1961 -1.4999 0.0 0
M  V30 5 C 3.4641 -0.5 0.0 0
M  V30 6 C 4.3301 -1.9999 0.0 0
M  V30 7 N 3.4641 -1.4999 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 N 1.732 -0.5 0.0 0
M  V30 10 C 0.866 0.0 0.0 0
M  V30 11 O 0.866 1.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C -0.866 0.0 0.0 0
M  V30 14 C 0.0 -1.4999 0.0 0
M  V30 15 C -1.732 -0.4999 0.0 0
M  V30 16 C -0.866 1.0 0.0 0
M  V30 17 C -0.866 -1.9999 0.0 0
M  V30 18 C -2.598 0.0 0.0 0
M  V30 19 C -1.732 -1.4999 0.0 0
M  V30 20 C -1.732 1.5 0.0 0
M  V30 21 C -2.598 1.0 0.0 0
M  V30 22 O -3.4641 1.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 2 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 2 12 14
M  V30 14 1 13 15
M  V30 15 2 13 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 15 19
M  V30 19 1 16 20
M  V30 20 1 18 21
M  V30 21 1 21 22
M  V30 22 1 6 7
M  V30 23 2 17 19
M  V30 24 2 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001637454294

>  <name>
NA

>  <smiles>
Oc1ccc2c(cccc2c1)C(=O)NCc1cc(=O)cc[nH]1

$$$$
ZINC000318405949
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 0.0 0.0 0
M  V30 2 C 3.4641 -0.5 0.0 0
M  V30 3 N 2.598 0.0 0.0 0
M  V30 4 C 3.4641 -1.5 0.0 0
M  V30 5 C 1.732 -0.5 0.0 0
M  V30 6 C 2.598 -1.9999 0.0 0
M  V30 7 C 4.3301 -2.0 0.0 0
M  V30 8 C 0.866 0.0 0.0 0
M  V30 9 C 2.598 -2.9999 0.0 0
M  V30 10 C 4.3301 -3.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C 3.4641 -3.5 0.0 0
M  V30 13 C 1.732 -3.4999 0.0 0
M  V30 14 N -0.9135 -0.0932 0.0 0
M  V30 15 N -0.1045 -1.4945 0.0 0
M  V30 16 O 3.4641 -4.5 0.0 0
M  V30 17 C -1.5826 -0.8364 0.0 0
M  V30 18 C -1.0826 -1.7024 0.0 0
M  V30 19 C -2.5826 -0.8364 0.0 0
M  V30 20 C -1.5826 -2.5684 0.0 0
M  V30 21 C -3.0826 -1.7024 0.0 0
M  V30 22 C -2.5826 -2.5684 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 2 7 10
M  V30 10 1 8 11
M  V30 11 2 9 12
M  V30 12 1 9 13
M  V30 13 2 11 14
M  V30 14 1 11 15
M  V30 15 1 12 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 10 12
M  V30 23 2 17 18
M  V30 24 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000318405949

>  <name>
NA

>  <smiles>
Cc1cc(ccc1O)C(=O)NCCc1nc2ccccc2[nH]1

$$$$
ZINC000649013594
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O -1.4894 -2.6159 0.0 0
M  V30 2 C -1.0826 -1.7024 0.0 0
M  V30 3 N -0.1045 -1.4945 0.0 0
M  V30 4 C -1.5826 -0.8364 0.0 0
M  V30 5 C 0.0 -0.5 0.0 0 CFG=2
M  V30 6 C -0.9135 -0.0932 0.0 0
M  V30 7 C 0.866 0.0 0.0 0
M  V30 8 C 0.8386 -1.0446 0.0 0
M  V30 9 C 1.732 -0.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 O 3.4641 -0.5 0.0 0
M  V30 12 N 2.598 1.0 0.0 0
M  V30 13 C 1.732 1.5 0.0 0
M  V30 14 C 2.5254 2.1087 0.0 0
M  V30 15 C 0.7661 1.2411 0.0 0
M  V30 16 C 1.4732 2.4659 0.0 0
M  V30 17 C 2.3948 3.1002 0.0 0
M  V30 18 C 3.4492 1.726 0.0 0
M  V30 19 C 0.5073 2.2071 0.0 0
M  V30 20 C 3.1882 3.7089 0.0 0
M  V30 21 C 4.2426 2.3348 0.0 0
M  V30 22 C 4.1121 3.3262 0.0 0
M  V30 23 C 3.0577 4.7004 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 3
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8 CFG=1
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 5 6
M  V30 24 1 16 19
M  V30 25 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000649013594

>  <name>
NA

>  <smiles>
Cc1cccc(c1)C1(CCC1)NC(=O)CCC1(C)CCC(=O)N1

$$$$
ZINC000843682205
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 0.6442 4.8478 0.0 0
M  V30 2 C 1.232 4.0388 0.0 0
M  V30 3 O 2.232 4.0388 0.0 0
M  V30 4 C 0.923 3.0877 0.0 0
M  V30 5 C 2.541 3.0877 0.0 0
M  V30 6 C 1.732 2.4999 0.0 0 CFG=1
M  V30 7 C 1.732 1.4999 0.0 0
M  V30 8 C 0.866 0.9999 0.0 0
M  V30 9 O 0.0 1.5 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C 0.7933 -1.1087 0.0 0
M  V30 13 C -0.9659 -0.2411 0.0 0
M  V30 14 C -0.2588 -1.4659 0.0 0
M  V30 15 C 0.6628 -2.1002 0.0 0
M  V30 16 C 1.7172 -0.726 0.0 0
M  V30 17 C -1.2247 -1.2071 0.0 0
M  V30 18 C 1.4561 -2.7089 0.0 0
M  V30 19 C 2.5105 -1.3348 0.0 0
M  V30 20 C 2.38 -2.3262 0.0 0
M  V30 21 C 1.3256 -3.7004 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 4
M  V30 6 1 6 7 CFG=1
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 13 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 5 6
M  V30 22 1 14 17
M  V30 23 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000843682205

>  <name>
NA

>  <smiles>
Cc1cccc(c1)C1(CCC1)NC(=O)CC1COC(=O)C1

$$$$
ZINC001364502247
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 1.732 -0.5 0.0 0
M  V30 2 C 0.866 0.0 0.0 0
M  V30 3 F 0.866 1.0 0.0 0
M  V30 4 C 0.0 -0.5 0.0 0 CFG=1
M  V30 5 O -0.866 0.0 0.0 0
M  V30 6 C 0.0 -1.4999 0.0 0
M  V30 7 C -1.732 -0.4999 0.0 0
M  V30 8 N -0.866 -1.9999 0.0 0
M  V30 9 C -1.732 -1.4999 0.0 0
M  V30 10 C -0.866 -2.9999 0.0 0
M  V30 11 C 0.0 -3.4999 0.0 0
M  V30 12 N 0.0 -4.4999 0.0 0
M  V30 13 C 0.866 -2.9999 0.0 0
M  V30 14 C 0.866 -5.0 0.0 0
M  V30 15 C 1.732 -3.4999 0.0 0
M  V30 16 N 1.0739 -5.9781 0.0 0
M  V30 17 N 1.732 -4.4999 0.0 0
M  V30 18 O 2.598 -3.0 0.0 0
M  V30 19 C 2.0684 -6.0826 0.0 0
M  V30 20 N 2.4751 -5.1691 0.0 0
M  V30 21 N 2.5684 -6.9487 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 4 2 CFG=3
M  V30 4 1 4 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 2 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 2 19 21
M  V30 21 1 8 9
M  V30 22 1 15 17
M  V30 23 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 4)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001364502247

>  <name>
NA

>  <smiles>
FC(F)C1CN(Cc2cc(=O)n3[nH]c(=N)nc3[nH]2)CCO1

$$$$
ZINC001356894679
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 7.8139 1.9455 0.0 0
M  V30 2 C 7.1448 1.2024 0.0 0
M  V30 3 C 8.7275 1.5388 0.0 0
M  V30 4 C 7.6448 0.3364 0.0 0
M  V30 5 C 6.1667 0.9945 0.0 0
M  V30 6 C 8.623 0.5443 0.0 0
M  V30 7 N 6.9757 -0.4067 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 C 5.1961 -0.5 0.0 0
M  V30 10 O 5.1961 -1.4999 0.0 0
M  V30 11 N 4.3301 0.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 C 3.4641 -1.5 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 4.3301 -2.0 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 O 0.866 1.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 C -0.9135 -0.0932 0.0 0
M  V30 21 C -0.1045 -1.4945 0.0 0
M  V30 22 N -1.5826 -0.8364 0.0 0
M  V30 23 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 4 7
M  V30 7 2 5 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 12 11 CFG=1
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 1 4 6
M  V30 24 1 7 8
M  V30 25 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001356894679

>  <name>
NA

>  <smiles>
CCC(CNC(=O)c1cc[nH]c1)NC(=O)c1cc2sccc2[nH]1

$$$$
ZINC001643681609
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.4951 -4.5 0.0 0
M  V30 2 C 6.4951 -3.0 0.0 0
M  V30 3 N 7.7942 -2.25 0.0 0
M  V30 4 N 5.1961 -2.25 0.0 0
M  V30 5 C 7.7942 -0.75 0.0 0
M  V30 6 C 5.1961 -0.75 0.0 0
M  V30 7 O 9.0932 0.0 0.0 0
M  V30 8 C 6.4951 0.0 0.0 0
M  V30 9 C 3.8971 0.0 0.0 0
M  V30 10 N 2.598 -0.75 0.0 0
M  V30 11 C 1.299 0.0 0.0 0
M  V30 12 O 1.299 1.5 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 N -1.3703 -0.1398 0.0 0
M  V30 15 N -0.1567 -2.2417 0.0 0
M  V30 16 C -2.374 -1.2546 0.0 0
M  V30 17 C -1.624 -2.5536 0.0 0
M  V30 18 C 0.8469 -3.3565 0.0 0
M  V30 19 C -2.0875 -3.9802 0.0 0
M  V30 20 C 0.3833 -4.783 0.0 0
M  V30 21 C -1.0838 -5.0949 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 2 19 21
M  V30 21 2 6 8
M  V30 22 2 16 17
M  V30 23 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001643681609

>  <name>
NA

>  <smiles>
O=C(NCc1cc(=O)[nH]c(=O)[nH]1)c1ncc2ccccn12

$$$$
ZINC001412208471
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.1961 2.5 0.0 0
M  V30 2 C 5.1961 2.4999 0.0 0
M  V30 3 F 5.1961 3.4999 0.0 0
M  V30 4 F 6.1961 2.4999 0.0 0
M  V30 5 C 5.1961 1.4999 0.0 0
M  V30 6 C 4.3301 1.0 0.0 0
M  V30 7 C 6.0621 0.9999 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 C 6.0621 0.0 0.0 0
M  V30 10 C 5.1961 -0.5 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 O 2.598 1.0 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 N -0.866 0.0 0.0 0
M  V30 18 C 0.0 -1.4999 0.0 0
M  V30 19 C -1.732 -0.4999 0.0 0
M  V30 20 C -0.866 -1.9999 0.0 0
M  V30 21 C -1.732 -1.4999 0.0 0
M  V30 22 O -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 11 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 9 10
M  V30 23 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001412208471

>  <name>
NA

>  <smiles>
FC(F)(F)c1cccc(CC(=O)NCc2cc(=O)cc[nH]2)c1

$$$$
ZINC001174357410
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 17 18 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.3301 -1.9999 0.0 0
M  V30 2 C 3.4641 -1.4999 0.0 0
M  V30 3 C 3.4641 -0.5 0.0 0
M  V30 4 C 2.598 -1.9999 0.0 0
M  V30 5 C 2.598 0.0 0.0 0
M  V30 6 C 1.732 -1.5 0.0 0
M  V30 7 O 2.598 1.0 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C 0.0 -0.5 0.0 0
M  V30 11 C -0.866 0.0 0.0 0
M  V30 12 C 0.0 -1.4999 0.0 0
M  V30 13 N -1.732 -0.4999 0.0 0
M  V30 14 C -0.866 -1.9999 0.0 0
M  V30 15 C -1.732 -1.4999 0.0 0
M  V30 16 C -2.598 0.0 0.0 0
M  V30 17 O -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 2 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 15 17
M  V30 17 1 6 8
M  V30 18 1 14 15
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001174357410

>  <name>
NA

>  <smiles>
Cn1cc(Nc2ccc(F)cc2O)ccc1=O

$$$$
ZINC001444135521
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 7.8139 1.9455 0.0 0
M  V30 2 C 7.1448 1.2024 0.0 0
M  V30 3 C 8.7275 1.5388 0.0 0
M  V30 4 C 7.6448 0.3364 0.0 0
M  V30 5 C 6.1667 0.9945 0.0 0
M  V30 6 C 8.623 0.5443 0.0 0
M  V30 7 N 6.9757 -0.4067 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 C 5.1961 -0.5 0.0 0
M  V30 10 O 5.1961 -1.4999 0.0 0
M  V30 11 N 4.3301 0.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0
M  V30 13 C 3.4641 -1.5 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 O 4.3301 -2.0 0.0 0
M  V30 16 N 1.732 -0.5 0.0 0
M  V30 17 C 0.866 0.0 0.0 0
M  V30 18 O 0.866 1.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 C -0.9135 -0.0932 0.0 0
M  V30 21 C -0.1045 -1.4945 0.0 0
M  V30 22 C -1.5826 -0.8364 0.0 0
M  V30 23 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 4 7
M  V30 7 2 5 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 16 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 21 23
M  V30 23 1 4 6
M  V30 24 1 7 8
M  V30 25 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001444135521

>  <name>
NA

>  <smiles>
OCC(CNC(=O)C1CCC=C1)NC(=O)c1cc2sccc2[nH]1

$$$$
ZINC001638214263
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.4641 2.5 0.0 0
M  V30 2 C 3.4641 1.5 0.0 0
M  V30 3 C 2.598 1.0 0.0 0
M  V30 4 C 4.3301 1.0 0.0 0
M  V30 5 C 2.598 0.0 0.0 0
M  V30 6 C 4.3301 0.0 0.0 0
M  V30 7 N 3.4641 -0.4999 0.0 0
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 O 1.732 -1.5 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C -0.866 0.0 0.0 0
M  V30 13 C 0.0 -1.4999 0.0 0
M  V30 14 O -0.866 1.0 0.0 0
M  V30 15 C -1.732 -0.4999 0.0 0
M  V30 16 C -0.866 -1.9999 0.0 0
M  V30 17 C -1.732 -1.4999 0.0 0
M  V30 18 N -1.0739 -2.9781 0.0 0
M  V30 19 N -2.4751 -2.1691 0.0 0
M  V30 20 C -2.0684 -3.0826 0.0 0
M  V30 21 C -0.4048 -3.7212 0.0 0
M  V30 22 C -3.4533 -1.9612 0.0 0
M  V30 23 O -2.5684 -3.9487 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 2 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 2 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 20 23
M  V30 23 1 6 7
M  V30 24 1 16 17
M  V30 25 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001638214263

>  <name>
NA

>  <smiles>
Cn1c2cc(O)c(NC(=O)c3cc(=O)cc[nH]3)cc2n(C)c1=O

$$$$
ZINC000621285526
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 7.7942 -5.2499 0.0 0
M  V30 2 C 6.4951 -4.4999 0.0 0
M  V30 3 C 6.4951 -2.9999 0.0 0
M  V30 4 C 5.1961 -5.2499 0.0 0
M  V30 5 C 5.1961 -2.2499 0.0 0
M  V30 6 C 3.8971 -4.5 0.0 0
M  V30 7 C 3.8971 -2.9999 0.0 0
M  V30 8 C 5.1961 -0.7499 0.0 0
M  V30 9 C 2.598 -2.2499 0.0 0
M  V30 10 C 3.8971 0.0 0.0 0
M  V30 11 N 2.598 -0.75 0.0 0
M  V30 12 C 1.299 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 N -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.2499 0.0 0
M  V30 16 C -2.598 -0.7499 0.0 0
M  V30 17 C -1.299 -2.9999 0.0 0
M  V30 18 N -4.0246 -0.2864 0.0 0
M  V30 19 N -2.598 -2.2499 0.0 0
M  V30 20 O -1.299 -4.5 0.0 0
M  V30 21 C -4.9063 -1.4999 0.0 0
M  V30 22 N -4.0246 -2.7135 0.0 0
M  V30 23 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 21 23
M  V30 23 1 6 7
M  V30 24 1 10 11
M  V30 25 1 17 19
M  V30 26 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000621285526

>  <name>
NA

>  <smiles>
Clc1ccc2CN(Cc3cc(=O)n4[nH]c(=N)nc4[nH]3)CCc2c1

$$$$
ZINC000529840530
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.75 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 C 5.1961 2.25 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 5.1961 3.75 0.0 0
M  V30 9 C 2.598 -0.75 0.0 0
M  V30 10 C 3.8971 4.5 0.0 0
M  V30 11 O 2.598 -2.25 0.0 0
M  V30 12 N 1.299 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 C -1.3703 -0.1398 0.0 0
M  V30 15 C -0.1567 -2.2417 0.0 0
M  V30 16 N -2.374 -1.2546 0.0 0
M  V30 17 C -1.6821 1.3273 0.0 0
M  V30 18 N -1.624 -2.5536 0.0 0
M  V30 19 O -0.6784 2.442 0.0 0
M  V30 20 C -3.0525 1.9374 0.0 0
M  V30 21 C -2.2341 -3.9239 0.0 0
M  V30 22 C -1.4284 3.741 0.0 0
M  V30 23 C -2.8957 3.4292 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 17 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 6 7
M  V30 24 1 16 18
M  V30 25 2 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000529840530

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)Nc1cn(C)nc1-c1ccco1

$$$$
ZINC001631186180
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 3.4641 1.4999 0.0 0
M  V30 2 C 4.3301 1.0 0.0 0
M  V30 3 C 4.3301 0.0 0.0 0
M  V30 4 C 5.1961 1.5 0.0 0
M  V30 5 C 5.1961 -0.4999 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0 CFG=1
M  V30 7 C 6.0621 1.0 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 O 3.4641 -1.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 Cl 6.9282 1.5 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 O 0.866 1.0 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 N -0.9135 -0.0932 0.0 0
M  V30 17 C -0.1045 -1.4945 0.0 0
M  V30 18 C -1.5826 -0.8364 0.0 0
M  V30 19 C -1.0826 -1.7024 0.0 0
M  V30 20 C -2.5826 -0.8364 0.0 0
M  V30 21 C -1.5826 -2.5684 0.0 0
M  V30 22 C -3.0826 -1.7024 0.0 0
M  V30 23 C -2.5826 -2.5684 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 3
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9 CFG=1
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 2 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 7 8
M  V30 24 2 18 19
M  V30 25 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001631186180

>  <name>
NA

>  <smiles>
OC(CNC(=O)c1cc2CCCCc2[nH]1)c1ccc(Cl)cc1Cl

$$$$
ZINC001427951019
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 7.5515 2.1159 0.0 0
M  V30 2 C 7.1448 1.2024 0.0 0
M  V30 3 N 6.1667 0.9945 0.0 0
M  V30 4 C 7.6448 0.3364 0.0 0
M  V30 5 C 6.0621 0.0 0.0 0
M  V30 6 C 6.9757 -0.4067 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 O 5.1961 -1.4999 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0 CFG=2
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 1.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 O 1.732 1.5 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.9135 -0.0932 0.0 0
M  V30 19 C -0.1045 -1.4945 0.0 0
M  V30 20 C -1.5826 -0.8364 0.0 0
M  V30 21 C -1.0826 -1.7024 0.0 0
M  V30 22 C -1.4894 -2.6159 0.0 0
M  V30 23 N -1.8961 -3.5295 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 11 10
M  V30 11 1 11 12 CFG=3
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 3 22 23
M  V30 23 2 5 6
M  V30 24 2 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001427951019

>  <name>
NA

>  <smiles>
OCC(CNC(=O)c1ccc(Cl)[nH]1)NC(=O)c1cc(c[nH]1)C#N

$$$$
ZINC000927794463
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.9535 -2.6159 0.0 0
M  V30 2 C 4.5467 -1.7024 0.0 0
M  V30 3 C 5.0467 -0.8364 0.0 0
M  V30 4 C 3.5686 -1.4945 0.0 0
M  V30 5 N 4.3776 -0.0932 0.0 0
M  V30 6 C 3.4641 -0.5 0.0 0
M  V30 7 C 2.598 0.0 0.0 0
M  V30 8 O 2.598 1.0 0.0 0
M  V30 9 N 1.732 -0.5 0.0 0
M  V30 10 C 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C -0.866 0.0 0.0 0
M  V30 13 C 0.0 -1.4999 0.0 0
M  V30 14 O -0.866 1.0 0.0 0
M  V30 15 N -1.732 -0.4999 0.0 0
M  V30 16 N -0.866 -1.9999 0.0 0
M  V30 17 C -1.732 -1.4999 0.0 0
M  V30 18 C -0.866 -2.9999 0.0 0
M  V30 19 O -2.598 -1.9999 0.0 0
M  V30 20 C 0.0 -3.4999 0.0 0
M  V30 21 F 0.4999 -2.6339 0.0 0
M  V30 22 F 0.866 -4.0 0.0 0
M  V30 23 F -0.5 -4.366 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 2 11 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 1 20 22
M  V30 22 1 20 23
M  V30 23 1 5 6
M  V30 24 1 16 17
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000927794463

>  <name>
NA

>  <smiles>
Fc1c[nH]c(c1)C(=O)NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O

$$$$
ZINC001427789222
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.0621 0.0 0.0 0
M  V30 2 C 5.1961 -0.5 0.0 0
M  V30 3 N 4.3301 0.0 0.0 0
M  V30 4 C 5.1961 -1.4999 0.0 0
M  V30 5 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 6 N 6.0051 -2.0877 0.0 0
M  V30 7 C 4.3871 -2.0877 0.0 0
M  V30 8 C 3.4641 -1.5 0.0 0
M  V30 9 C 2.598 0.0 0.0 0
M  V30 10 N 5.6961 -3.0388 0.0 0
M  V30 11 C 6.9562 -1.7787 0.0 0
M  V30 12 C 4.6961 -3.0388 0.0 0
M  V30 13 O 2.598 -2.0 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.9135 -0.0932 0.0 0
M  V30 19 C -0.1045 -1.4945 0.0 0
M  V30 20 C -1.5826 -0.8364 0.0 0
M  V30 21 C -1.0826 -1.7024 0.0 0
M  V30 22 C -1.4894 -2.6159 0.0 0
M  V30 23 N -1.8961 -3.5295 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 3 CFG=3
M  V30 5 1 4 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 6 11
M  V30 11 1 7 12
M  V30 12 1 8 13
M  V30 13 1 9 14
M  V30 14 1 14 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 3 22 23
M  V30 23 2 10 12
M  V30 24 2 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001427789222

>  <name>
NA

>  <smiles>
Cn1nccc1C(=O)NC(CO)CNC(=O)c1cc(c[nH]1)C#N

$$$$
ZINC000187643933
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 0.866 -4.9999 0.0 0
M  V30 2 C 1.732 -4.4999 0.0 0
M  V30 3 C 2.598 -4.9999 0.0 0
M  V30 4 C 1.732 -3.4999 0.0 0
M  V30 5 F 2.598 -5.9999 0.0 0
M  V30 6 C 3.4641 -4.4999 0.0 0
M  V30 7 C 2.598 -2.9999 0.0 0
M  V30 8 C 3.4641 -3.4999 0.0 0
M  V30 9 C 2.598 -1.9999 0.0 0 CFG=1
M  V30 10 O 3.4641 -1.5 0.0 0
M  V30 11 C 1.732 -1.5 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.9135 -0.0932 0.0 0
M  V30 19 C -0.1045 -1.4945 0.0 0
M  V30 20 O -1.5826 -0.8364 0.0 0
M  V30 21 C -1.0826 -1.7024 0.0 0
M  V30 22 C -1.4894 -2.6159 0.0 0
M  V30 23 N -0.9016 -3.4249 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 6 8
M  V30 8 1 9 7 CFG=3
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 7 8
M  V30 24 1 13 14
M  V30 25 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000187643933

>  <name>
NA

>  <smiles>
NCc1cc(co1)C(=O)N1CCOC(C1)c1ccc(F)c(F)c1

$$$$
ZINC001576380363
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.75 0.0 0
M  V30 2 C 6.4952 0.0 0.0 0
M  V30 3 N 6.4952 1.5 0.0 0
M  V30 4 C 5.1961 -0.75 0.0 0
M  V30 5 N 7.6099 2.5037 0.0 0
M  V30 6 C 5.1961 2.25 0.0 0
M  V30 7 C 3.8971 0.0 0.0 0
M  V30 8 C 6.9998 3.874 0.0 0
M  V30 9 N 5.508 3.7172 0.0 0
M  V30 10 N 3.8971 1.5 0.0 0
M  V30 11 C 2.598 -0.75 0.0 0
M  V30 12 N 7.7498 5.173 0.0 0
M  V30 13 N 1.299 0.0 0.0 0
M  V30 14 C 0.0 -0.75 0.0 0
M  V30 15 C -1.4488 -0.3617 0.0 0
M  V30 16 C -0.3882 -2.1988 0.0 0
M  V30 17 C -1.8371 -1.8106 0.0 0
M  V30 18 C -1.4488 1.1381 0.0 0
M  V30 19 C -2.7479 0.3881 0.0 0
M  V30 20 N -3.1361 -2.5606 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 1 15 19
M  V30 19 1 17 20
M  V30 20 1 7 10
M  V30 21 1 8 9
M  V30 22 1 16 17
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001576380363

>  <name>
NA

>  <smiles>
CC1(C)C(N)CC1NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC000123269462
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.4641 -4.4999 0.0 0
M  V30 2 C 3.4641 -3.4999 0.0 0
M  V30 3 C 4.3301 -3.0 0.0 0
M  V30 4 C 2.598 -2.9999 0.0 0
M  V30 5 C 4.3301 -2.0 0.0 0
M  V30 6 C 2.598 -1.9999 0.0 0
M  V30 7 N 5.1961 -1.5 0.0 0
M  V30 8 C 3.4641 -1.5 0.0 0
M  V30 9 C 5.1961 -0.5 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 O 6.0621 0.0 0.0 0
M  V30 12 C 4.3301 0.0 0.0 0
M  V30 13 C 2.598 0.0 0.0 0
M  V30 14 O 2.598 1.0 0.0 0
M  V30 15 N 1.732 -0.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 N -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 C -1.732 -1.4999 0.0 0
M  V30 23 O -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 20 22
M  V30 22 2 22 23
M  V30 23 1 6 8
M  V30 24 2 10 12
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000123269462

>  <name>
NA

>  <smiles>
Fc1ccc2c(cc(=O)[nH]c2c1)C(=O)NCc1ccc(=O)[nH]c1

$$$$
ZINC000621272762
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 3.8971 6.0 0.0 0
M  V30 2 C 3.8971 4.5 0.0 0
M  V30 3 C 2.598 3.75 0.0 0
M  V30 4 C 5.1961 3.75 0.0 0
M  V30 5 C 2.598 2.25 0.0 0
M  V30 6 C 5.1961 2.25 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 3.8971 0.0 0.0 0 CFG=1
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 5.1961 -0.75 0.0 0
M  V30 11 C 1.299 0.0 0.0 0
M  V30 12 C 6.4951 0.0 0.0 0
M  V30 13 C 0.0 -0.75 0.0 0
M  V30 14 N -1.299 0.0 0.0 0
M  V30 15 C 0.0 -2.2499 0.0 0
M  V30 16 C -2.598 -0.7499 0.0 0
M  V30 17 C -1.299 -2.9999 0.0 0
M  V30 18 N -4.0246 -0.2864 0.0 0
M  V30 19 N -2.598 -2.2499 0.0 0
M  V30 20 O -1.299 -4.4999 0.0 0
M  V30 21 C -4.9063 -1.4999 0.0 0
M  V30 22 N -4.0246 -2.7135 0.0 0
M  V30 23 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 8 7
M  V30 8 1 8 9 CFG=3
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 21 23
M  V30 23 1 6 7
M  V30 24 1 17 19
M  V30 25 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000621272762

>  <name>
NA

>  <smiles>
CCC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccc(Cl)cc1

$$$$
ZINC001087253277
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 4.3301 -2.9999 0.0 0
M  V30 2 C 4.3301 -1.9999 0.0 0
M  V30 3 C 5.1961 -1.5 0.0 0
M  V30 4 C 3.4641 -1.5 0.0 0
M  V30 5 F 6.0621 -2.0 0.0 0
M  V30 6 C 5.1961 -0.5 0.0 0
M  V30 7 C 3.4641 -0.5 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 C 2.598 0.0 0.0 0
M  V30 10 N 1.732 -0.5 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 N -0.866 0.0 0.0 0
M  V30 14 C 0.0 -1.4999 0.0 0
M  V30 15 C -1.732 -0.4999 0.0 0
M  V30 16 C -0.866 -1.9999 0.0 0
M  V30 17 N -1.732 -1.4999 0.0 0
M  V30 18 C -2.598 0.0 0.0 0
M  V30 19 O -0.866 -2.9999 0.0 0
M  V30 20 N -3.4641 -0.4999 0.0 0
M  V30 21 C -4.3301 0.0 0.0 0
M  V30 22 O -4.3301 1.0 0.0 0
M  V30 23 C -5.1961 -0.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 6 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 2 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 2 21 22
M  V30 22 1 21 23
M  V30 23 1 7 8
M  V30 24 1 16 17
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001087253277

>  <name>
NA

>  <smiles>
CC(=O)NCc1nc(=O)cc(CNCc2ccc(F)c(F)c2)[nH]1

$$$$
ZINC001460616917
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.598 0.0 0.0 0
M  V30 2 C 1.732 -0.5 0.0 0
M  V30 3 C 0.866 0.0 0.0 0
M  V30 4 C 0.0 -0.5 0.0 0 CFG=2
M  V30 5 O -0.866 0.0 0.0 0
M  V30 6 C 0.0 -1.4999 0.0 0
M  V30 7 C -1.732 -0.4999 0.0 0
M  V30 8 N -0.866 -1.9999 0.0 0
M  V30 9 C -1.732 -1.4999 0.0 0
M  V30 10 C -0.866 -2.9999 0.0 0
M  V30 11 C 0.0 -3.4999 0.0 0
M  V30 12 N 0.0 -4.4999 0.0 0
M  V30 13 C 0.866 -2.9999 0.0 0
M  V30 14 C 0.866 -5.0 0.0 0
M  V30 15 C 1.732 -3.4999 0.0 0
M  V30 16 N 1.0739 -5.9781 0.0 0
M  V30 17 N 1.732 -4.4999 0.0 0
M  V30 18 O 2.598 -3.0 0.0 0
M  V30 19 C 2.0684 -6.0826 0.0 0
M  V30 20 N 2.4751 -5.1691 0.0 0
M  V30 21 N 2.5684 -6.9487 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 4 3 CFG=1
M  V30 4 1 4 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 2 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 2 19 21
M  V30 21 1 8 9
M  V30 22 1 15 17
M  V30 23 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 4)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001460616917

>  <name>
NA

>  <smiles>
FCCC1CN(Cc2cc(=O)n3[nH]c(=N)nc3[nH]2)CCO1

$$$$
ZINC000566712044
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.8689 0.5 0.0 0
M  V30 2 C 5.8689 0.5 0.0 0
M  V30 3 N 5.2811 1.309 0.0 0
M  V30 4 N 5.2811 -0.309 0.0 0
M  V30 5 C 4.3301 1.0 0.0 0
M  V30 6 C 5.5902 2.26 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 5.5902 -1.26 0.0 0
M  V30 9 C 3.4641 1.4999 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.9999 0.0 0
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 O 1.732 1.4999 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 N -1.732 -1.4999 0.0 0
M  V30 23 C -0.866 -2.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 21 23
M  V30 23 2 5 7
M  V30 24 1 11 12
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000566712044

>  <name>
NA

>  <smiles>
Cc1cc(ncn1)C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1O

$$$$
ZINC001363413659
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 6.9282 1.4999 0.0 0
M  V30 2 C 6.0621 0.9999 0.0 0
M  V30 3 C 5.1961 1.4999 0.0 0
M  V30 4 C 6.0621 0.0 0.0 0
M  V30 5 C 4.3301 0.9999 0.0 0
M  V30 6 C 5.1961 2.4999 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 F 4.1961 2.5 0.0 0
M  V30 10 F 5.1961 3.4999 0.0 0
M  V30 11 F 6.1961 2.4999 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0
M  V30 13 O 3.4641 -1.5 0.0 0
M  V30 14 N 2.598 0.0 0.0 0
M  V30 15 C 1.732 -0.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0 CFG=2
M  V30 17 O 0.866 1.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 N -0.9135 -0.0932 0.0 0
M  V30 20 C -0.1045 -1.4945 0.0 0
M  V30 21 C -1.5826 -0.8364 0.0 0
M  V30 22 N -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 6 11
M  V30 11 1 8 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 1 16 15
M  V30 16 1 16 17 CFG=1
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 2 18 20
M  V30 20 2 19 21
M  V30 21 1 20 22
M  V30 22 1 7 8
M  V30 23 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 16)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001363413659

>  <name>
NA

>  <smiles>
OC(CNC(=O)c1ccc(Cl)c(c1)C(F)(F)F)c1c[nH]cn1

$$$$
ZINC000772382565
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 4.3301 -1.9999 0.0 0
M  V30 2 C 5.1961 -1.4999 0.0 0
M  V30 3 C 6.0621 -1.9999 0.0 0
M  V30 4 C 5.1961 -0.5 0.0 0
M  V30 5 O 6.0621 -2.9999 0.0 0
M  V30 6 N 6.9282 -1.5 0.0 0
M  V30 7 C 6.0621 0.0 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 C 6.9282 -0.4999 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 O 3.4641 -1.5 0.0 0
M  V30 12 N 2.598 0.0 0.0 0
M  V30 13 C 1.732 -0.5 0.0 0
M  V30 14 C 0.866 0.0 0.0 0 CFG=2
M  V30 15 O 0.866 1.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 C -0.866 0.0 0.0 0
M  V30 18 C 0.0 -1.4999 0.0 0
M  V30 19 Cl -0.866 1.0 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 C -1.732 -1.4999 0.0 0
M  V30 23 Cl -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 2 4
M  V30 4 2 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 4 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 1 14 13
M  V30 14 1 14 15 CFG=1
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 2 20 22
M  V30 22 1 22 23
M  V30 23 2 7 9
M  V30 24 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000772382565

>  <name>
NA

>  <smiles>
OC(CNC(=O)Cc1cc[nH]c(=O)c1Br)c1ccc(Cl)cc1Cl

$$$$
ZINC001241095323
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 0.866 0.0 0.0 0
M  V30 2 C 0.0 -0.5 0.0 0
M  V30 3 C -0.866 0.0 0.0 0
M  V30 4 C 0.0 -1.4999 0.0 0
M  V30 5 C -1.732 -0.4999 0.0 0
M  V30 6 C -0.866 1.0 0.0 0
M  V30 7 C -0.866 -1.9999 0.0 0
M  V30 8 C -1.732 -1.4999 0.0 0
M  V30 9 F -1.866 1.0 0.0 0
M  V30 10 F -0.866 2.0 0.0 0
M  V30 11 F 0.1339 0.9999 0.0 0
M  V30 12 C -2.598 -1.9999 0.0 0
M  V30 13 C -3.4641 -1.4999 0.0 0
M  V30 14 C -2.598 -2.9999 0.0 0
M  V30 15 C -4.3301 -1.9999 0.0 0
M  V30 16 C -3.4641 -0.4999 0.0 0
M  V30 17 N -3.4641 -3.4999 0.0 0
M  V30 18 C -4.3301 -2.9999 0.0 0
M  V30 19 C -5.1961 -1.4999 0.0 0
M  V30 20 C -4.3301 0.0 0.0 0
M  V30 21 C -3.4641 -4.4999 0.0 0
M  V30 22 O -5.1961 -3.4999 0.0 0
M  V30 23 C -5.1961 -0.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 6 11
M  V30 11 1 8 12
M  V30 12 1 12 13
M  V30 13 2 12 14
M  V30 14 2 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 15 19
M  V30 19 2 16 20
M  V30 20 1 17 21
M  V30 21 2 18 22
M  V30 22 2 19 23
M  V30 23 1 7 8
M  V30 24 1 17 18
M  V30 25 1 20 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001241095323

>  <name>
NA

>  <smiles>
Cn1cc(-c2ccc(F)c(c2)C(F)(F)F)c2ccccc2c1=O

$$$$
ZINC000922350976
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br -0.7831 5.1986 0.0 0
M  V30 2 C -0.5873 3.7115 0.0 0
M  V30 3 C 0.7984 3.1374 0.0 0
M  V30 4 C -1.7773 2.7983 0.0 0
M  V30 5 N 0.9942 1.6503 0.0 0
M  V30 6 N -1.5816 1.3111 0.0 0
M  V30 7 C -0.1957 0.7371 0.0 0
M  V30 8 C 0.0 -0.75 0.0 0
M  V30 9 N 1.299 0.0 0.0 0
M  V30 10 C -0.3882 -2.1988 0.0 0
M  V30 11 C -1.4488 -0.3617 0.0 0
M  V30 12 C 2.598 -0.75 0.0 0
M  V30 13 C -1.8371 -1.8106 0.0 0
M  V30 14 O 2.598 -2.25 0.0 0
M  V30 15 N 3.8971 0.0 0.0 0
M  V30 16 C 5.1961 -0.75 0.0 0
M  V30 17 C 5.1961 -2.25 0.0 0
M  V30 18 C 6.4951 0.0 0.0 0
M  V30 19 N 6.4951 -3.0 0.0 0
M  V30 20 C 3.8971 -2.9999 0.0 0
M  V30 21 C 7.7942 -0.75 0.0 0
M  V30 22 C 7.7942 -2.25 0.0 0
M  V30 23 O 9.0932 -3.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 2 22 23
M  V30 23 1 6 7
M  V30 24 1 11 13
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000922350976

>  <name>
NA

>  <smiles>
CC1NC(=O)CCC1NC(=O)NC1(CCC1)c1ncc(Br)cn1

$$$$
ZINC000538035013
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 1.5 0.0 0
M  V30 2 C 4.3301 1.0 0.0 0
M  V30 3 N 3.4641 1.5 0.0 0
M  V30 4 C 4.3301 0.0 0.0 0
M  V30 5 C 2.598 0.9999 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 C 2.598 0.0 0.0 0 CFG=2
M  V30 8 C 1.732 -0.5 0.0 0
M  V30 9 O 1.732 -1.5 0.0 0
M  V30 10 N 0.866 0.0 0.0 0
M  V30 11 C 0.0 -0.5 0.0 0
M  V30 12 C -0.9135 -0.0932 0.0 0
M  V30 13 C -0.1045 -1.4945 0.0 0
M  V30 14 N -1.5826 -0.8364 0.0 0
M  V30 15 C -1.1214 0.8848 0.0 0
M  V30 16 N -1.0826 -1.7024 0.0 0
M  V30 17 C -0.3783 1.554 0.0 0
M  V30 18 C -2.0725 1.1939 0.0 0
M  V30 19 C -1.4894 -2.6159 0.0 0
M  V30 20 C -0.5862 2.5321 0.0 0
M  V30 21 C -2.2804 2.172 0.0 0
M  V30 22 C -1.5372 2.8411 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 7 5
M  V30 7 1 7 8 CFG=3
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 2 11 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 2 18 21
M  V30 21 2 20 22
M  V30 22 1 6 7
M  V30 23 1 14 16
M  V30 24 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 7)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000538035013

>  <name>
NA

>  <smiles>
Cn1cc(NC(=O)C2CCC(=O)NC2)c(n1)-c1ccccc1

$$$$
ZINC001499253736
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.1836 -1.3848 0.0 0
M  V30 2 C 6.9757 -0.4067 0.0 0
M  V30 3 N 7.6448 0.3364 0.0 0
M  V30 4 C 6.0621 0.0 0.0 0
M  V30 5 C 7.1448 1.2024 0.0 0
M  V30 6 C 5.1961 -0.5 0.0 0
M  V30 7 C 6.1667 0.9945 0.0 0
M  V30 8 O 5.1961 -1.4999 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 1.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 1.732 1.5 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.9135 -0.0932 0.0 0
M  V30 19 C -0.1045 -1.4945 0.0 0
M  V30 20 C -1.5826 -0.8364 0.0 0
M  V30 21 C -1.0826 -1.7024 0.0 0
M  V30 22 C -1.4894 -2.6159 0.0 0
M  V30 23 N -1.8961 -3.5295 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 4 7
M  V30 7 2 6 8
M  V30 8 1 6 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 3 22 23
M  V30 23 1 5 7
M  V30 24 2 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001499253736

>  <name>
NA

>  <smiles>
CCC(CNC(=O)C1CCNC1=O)NC(=O)c1cc(c[nH]1)C#N

$$$$
ZINC001193093884
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.3301 -2.9999 0.0 0
M  V30 2 C 4.3301 -1.9999 0.0 0
M  V30 3 N 5.1961 -1.4999 0.0 0
M  V30 4 C 3.4641 -1.4999 0.0 0
M  V30 5 N 6.1472 -1.809 0.0 0
M  V30 6 C 5.1961 -0.4999 0.0 0
M  V30 7 C 3.4641 -0.5 0.0 0
M  V30 8 C 6.7349 -0.9999 0.0 0
M  V30 9 N 6.1472 -0.1909 0.0 0
M  V30 10 N 4.3301 0.0 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 N 7.7349 -0.9999 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 0.866 0.0 0.0 0 CFG=2
M  V30 15 C 0.866 1.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 C 1.675 1.5877 0.0 0
M  V30 18 C 0.057 1.5877 0.0 0
M  V30 19 N 1.366 2.5388 0.0 0
M  V30 20 N 0.366 2.5388 0.0 0
M  V30 21 C -0.2217 3.3478 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13 CFG=1
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 15 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 1 7 10
M  V30 22 1 8 9
M  V30 23 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001193093884

>  <name>
NA

>  <smiles>
CC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1cnn(C)c1

$$$$
ZINC000922931847
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 8.6393 0.2318 0.0 0
M  V30 2 C 7.6448 0.3364 0.0 0
M  V30 3 N 7.1448 1.2024 0.0 0
M  V30 4 C 6.9757 -0.4067 0.0 0
M  V30 5 C 6.1667 0.9945 0.0 0
M  V30 6 C 7.5515 2.1159 0.0 0
M  V30 7 C 6.0621 0.0 0.0 0
M  V30 8 C 8.5461 2.2205 0.0 0
M  V30 9 C 5.1961 -0.5 0.0 0
M  V30 10 C 8.9528 3.134 0.0 0
M  V30 11 N 4.3301 0.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0
M  V30 13 O 3.4641 -1.5 0.0 0
M  V30 14 N 2.598 0.0 0.0 0
M  V30 15 C 1.732 -0.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.9135 -0.0932 0.0 0
M  V30 19 C -0.1045 -1.4945 0.0 0
M  V30 20 N -1.5826 -0.8364 0.0 0
M  V30 21 C -1.0826 -1.7024 0.0 0
M  V30 22 O -1.4894 -2.6159 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 21 22
M  V30 22 1 5 7
M  V30 23 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000922931847

>  <name>
NA

>  <smiles>
CCCN1CC(CNC(=O)NCCC2CNC(=O)C2)CC1=O

$$$$
ZINC000665334854
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 3.4593 -0.6812 0.0 0
M  V30 2 C 2.5683 -1.1352 0.0 0
M  V30 3 C 1.7296 -0.5906 0.0 0
M  V30 4 C 2.516 -2.1339 0.0 0
M  V30 5 C 0.8386 -1.0446 0.0 0
M  V30 6 C 1.625 -2.5879 0.0 0
M  V30 7 C 0.7863 -2.0432 0.0 0
M  V30 8 C 0.0 -0.5 0.0 0
M  V30 9 N 0.866 0.0 0.0 0
M  V30 10 C -0.9135 -0.0932 0.0 0
M  V30 11 C -0.1045 -1.4945 0.0 0
M  V30 12 C 0.866 0.9999 0.0 0
M  V30 13 C -1.5826 -0.8364 0.0 0
M  V30 14 C -1.0826 -1.7024 0.0 0
M  V30 15 O 0.0 1.5 0.0 0
M  V30 16 N 1.732 1.4999 0.0 0
M  V30 17 C 1.732 2.4999 0.0 0 CFG=2
M  V30 18 C 0.923 3.0877 0.0 0
M  V30 19 C 2.541 3.0877 0.0 0
M  V30 20 O -0.028 2.7787 0.0 0
M  V30 21 N 1.232 4.0388 0.0 0
M  V30 22 C 2.232 4.0388 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 8 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 17 16 CFG=3
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 6 7
M  V30 23 1 13 14
M  V30 24 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 17)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000665334854

>  <name>
NA

>  <smiles>
Clc1cccc(c1)C1(CCCC1)NC(=O)NC1CCNC1=O

$$$$
ZINC000876893280
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 5.2036 1.6064 0.0 0
M  V30 2 C 6.1172 1.1997 0.0 0
M  V30 3 F 6.5239 2.1132 0.0 0
M  V30 4 F 7.0307 0.793 0.0 0
M  V30 5 C 5.7105 0.2861 0.0 0
M  V30 6 C 4.7159 0.1816 0.0 0
M  V30 7 C 6.2982 -0.5228 0.0 0
M  V30 8 C 4.3092 -0.7318 0.0 0
M  V30 9 C 5.8915 -1.4363 0.0 0
M  V30 10 C 4.897 -1.5408 0.0 0
M  V30 11 C 3.3147 -0.8364 0.0 0
M  V30 12 C 2.6455 -0.0932 0.0 0
M  V30 13 C 2.8147 -1.7024 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 1.8365 -1.4945 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 O 0.866 1.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 C -0.9135 -0.0932 0.0 0
M  V30 20 C -0.1045 -1.4945 0.0 0
M  V30 21 C -1.5826 -0.8364 0.0 0
M  V30 22 C -1.0826 -1.7024 0.0 0
M  V30 23 N -1.4894 -2.6159 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 8 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 20 22
M  V30 22 1 22 23
M  V30 23 1 9 10
M  V30 24 1 14 15
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000876893280

>  <name>
NA

>  <smiles>
NC1CC(C=C1)C(=O)N1CCC(C1)c1cccc(c1)C(F)(F)F

$$$$
ZINC000542636608
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 9.0932 0.0 0.0 0
M  V30 2 C 7.7942 -0.75 0.0 0
M  V30 3 C 6.4951 0.0 0.0 0
M  V30 4 C 7.7942 -2.2499 0.0 0
M  V30 5 C 5.1961 -0.75 0.0 0
M  V30 6 C 6.4951 -3.0 0.0 0
M  V30 7 O 3.8971 0.0 0.0 0
M  V30 8 C 5.1961 -2.2499 0.0 0
M  V30 9 C 3.8971 1.4999 0.0 0
M  V30 10 N 3.8971 -2.9999 0.0 0
M  V30 11 C 2.598 2.2499 0.0 0
M  V30 12 C 2.598 -2.2499 0.0 0
M  V30 13 F 1.299 1.4999 0.0 0
M  V30 14 F 2.598 3.75 0.0 0
M  V30 15 O 2.598 -0.75 0.0 0
M  V30 16 C 1.299 -2.9999 0.0 0
M  V30 17 C 0.0 -2.2499 0.0 0
M  V30 18 C 1.299 -4.4999 0.0 0
M  V30 19 C -1.299 -2.9999 0.0 0
M  V30 20 C 0.0 -5.2499 0.0 0
M  V30 21 O -2.598 -2.2499 0.0 0
M  V30 22 N -1.299 -4.4999 0.0 0
M  V30 23 C 0.0 -6.7499 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 6 8
M  V30 24 1 20 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000542636608

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)Nc1ccc(F)cc1OCC(F)F

$$$$
ZINC001617443238
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 2.6835 2.3816 0.0 0
M  V30 2 C 3.8971 1.5 0.0 0
M  V30 3 C 3.1471 3.8082 0.0 0
M  V30 4 C 5.1106 2.3816 0.0 0
M  V30 5 C 3.8971 0.0 0.0 0 CFG=1
M  V30 6 C 4.6471 3.8082 0.0 0
M  V30 7 C 6.5372 1.9181 0.0 0
M  V30 8 N 2.598 -0.75 0.0 0
M  V30 9 C 5.1961 -0.75 0.0 0
M  V30 10 C 1.299 0.0 0.0 0
M  V30 11 O 6.4951 0.0 0.0 0
M  V30 12 C 0.0 -0.75 0.0 0
M  V30 13 N -1.299 0.0 0.0 0
M  V30 14 C 0.0 -2.2499 0.0 0
M  V30 15 C -2.598 -0.7499 0.0 0
M  V30 16 C -1.299 -2.9999 0.0 0
M  V30 17 N -4.0246 -0.2864 0.0 0
M  V30 18 N -2.598 -2.2499 0.0 0
M  V30 19 O -1.299 -4.4999 0.0 0
M  V30 20 C -4.9063 -1.4999 0.0 0
M  V30 21 N -4.0246 -2.7135 0.0 0
M  V30 22 N -6.4063 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 5 2
M  V30 5 2 3 6
M  V30 6 1 4 7
M  V30 7 1 5 8 CFG=3
M  V30 8 1 5 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 2 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 2 20 22
M  V30 22 1 4 6
M  V30 23 1 16 18
M  V30 24 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001617443238

>  <name>
NA

>  <smiles>
Cc1ccsc1C(CO)NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC000542636611
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 9.0932 0.0 0.0 0
M  V30 2 C 7.7942 -0.75 0.0 0
M  V30 3 C 6.4951 0.0 0.0 0
M  V30 4 C 7.7942 -2.2499 0.0 0
M  V30 5 C 5.1961 -0.75 0.0 0
M  V30 6 C 6.4951 -3.0 0.0 0
M  V30 7 O 3.8971 0.0 0.0 0
M  V30 8 C 5.1961 -2.2499 0.0 0
M  V30 9 C 3.8971 1.4999 0.0 0
M  V30 10 N 3.8971 -2.9999 0.0 0
M  V30 11 C 2.598 2.2499 0.0 0
M  V30 12 C 2.598 -2.2499 0.0 0
M  V30 13 F 1.299 1.4999 0.0 0
M  V30 14 F 2.598 3.75 0.0 0
M  V30 15 O 2.598 -0.75 0.0 0
M  V30 16 C 1.299 -2.9999 0.0 0
M  V30 17 C 0.0 -2.2499 0.0 0
M  V30 18 C 1.299 -4.4999 0.0 0
M  V30 19 C -1.299 -2.9999 0.0 0
M  V30 20 C 0.0 -5.2499 0.0 0
M  V30 21 O -2.598 -2.2499 0.0 0
M  V30 22 N -1.299 -4.4999 0.0 0
M  V30 23 C 0.0 -6.7499 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 12 15
M  V30 15 1 12 16
M  V30 16 1 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 19 22
M  V30 22 1 20 23
M  V30 23 1 6 8
M  V30 24 1 20 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000542636611

>  <name>
NA

>  <smiles>
CC1CC(CC(=O)N1)C(=O)Nc1ccc(F)cc1OCC(F)F

$$$$
ZINC001473803304
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.598 -3.0 0.0 0
M  V30 2 C 2.598 -1.9999 0.0 0
M  V30 3 N 3.4641 -1.4999 0.0 0
M  V30 4 C 1.732 -1.4999 0.0 0
M  V30 5 N 4.4151 -1.809 0.0 0
M  V30 6 C 3.4641 -0.4999 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 C 5.0029 -0.9999 0.0 0
M  V30 9 N 4.4151 -0.1909 0.0 0
M  V30 10 N 2.598 0.0 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 N 6.0029 -0.9999 0.0 0
M  V30 13 N 0.0 -0.5 0.0 0
M  V30 14 C -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 C -1.5826 -0.8364 0.0 0 CFG=2
M  V30 17 C -1.0826 -1.7024 0.0 0
M  V30 18 C -2.5771 -0.7318 0.0 0
M  V30 19 O -3.0771 0.1341 0.0 0
M  V30 20 O -3.2463 -1.475 0.0 0
M  V30 21 C -4.0553 -0.0737 0.0 0
M  V30 22 C -4.1598 -1.0682 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 16 14
M  V30 16 1 15 17
M  V30 17 1 16 18 CFG=3
M  V30 18 1 18 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 7 10
M  V30 23 1 8 9
M  V30 24 1 16 17
M  V30 25 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 16)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001473803304

>  <name>
NA

>  <smiles>
N=c1nc2[nH]c(CN3CCC(C3)C3OCCO3)cc(=O)n2[nH]1

$$$$
ZINC000356385582
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 4.3776 -0.0932 0.0 0
M  V30 2 C 3.4641 -0.5 0.0 0
M  V30 3 C 5.0467 -0.8364 0.0 0
M  V30 4 N 3.5686 -1.4945 0.0 0
M  V30 5 C 2.598 0.0 0.0 0
M  V30 6 C 4.5467 -1.7024 0.0 0
M  V30 7 N 1.732 -0.5 0.0 0
M  V30 8 C 4.9535 -2.6159 0.0 0
M  V30 9 C 0.866 0.0 0.0 0
M  V30 10 O 5.948 -2.7205 0.0 0
M  V30 11 O 0.866 1.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C -0.866 0.0 0.0 0
M  V30 14 C 0.0 -1.4999 0.0 0
M  V30 15 C -1.732 -0.4999 0.0 0
M  V30 16 C -0.866 1.0 0.0 0
M  V30 17 C -0.866 -1.9999 0.0 0
M  V30 18 N -1.732 -1.4999 0.0 0
M  V30 19 C -2.598 0.0 0.0 0
M  V30 20 C -1.732 1.5 0.0 0
M  V30 21 O -0.866 -2.9999 0.0 0
M  V30 22 C -2.598 1.0 0.0 0
M  V30 23 F -3.4641 1.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 2 12 14
M  V30 14 2 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 15 19
M  V30 19 2 16 20
M  V30 20 2 17 21
M  V30 21 2 19 22
M  V30 22 1 22 23
M  V30 23 1 4 6
M  V30 24 1 17 18
M  V30 25 1 20 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000356385582

>  <name>
NA

>  <smiles>
OCc1csc(CNC(=O)c2cc(=O)[nH]c3cc(F)ccc23)n1

$$$$
ZINC000791020391
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 3.5116 -0.4067 0.0 0
M  V30 2 C 4.1807 0.3364 0.0 0
M  V30 3 C 2.598 0.0 0.0 0
M  V30 4 N 5.1752 0.2318 0.0 0
M  V30 5 N 3.6807 1.2024 0.0 0
M  V30 6 C 2.7026 0.9945 0.0 0
M  V30 7 C 1.732 -0.5 0.0 0
M  V30 8 O 1.9594 1.6636 0.0 0
M  V30 9 C 0.866 0.0 0.0 0
M  V30 10 O 0.866 1.0 0.0 0
M  V30 11 N 0.0 -0.5 0.0 0
M  V30 12 C -0.9135 -0.0932 0.0 0
M  V30 13 C -0.1045 -1.4945 0.0 0
M  V30 14 C -1.5826 -0.8364 0.0 0
M  V30 15 C -1.2225 0.8577 0.0 0
M  V30 16 C -1.0826 -1.7024 0.0 0
M  V30 17 C -2.5608 -0.6284 0.0 0
M  V30 18 C -2.2007 1.0657 0.0 0
M  V30 19 C -2.0162 -2.0608 0.0 0
M  V30 20 C -0.7243 -2.636 0.0 0
M  V30 21 C -2.8698 0.3225 0.0 0
M  V30 22 C -1.6578 -2.9943 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 3 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 2 15 18
M  V30 18 1 16 19
M  V30 19 1 16 20
M  V30 20 2 17 21
M  V30 21 1 19 22
M  V30 22 1 5 6
M  V30 23 1 14 16
M  V30 24 1 18 21
M  V30 25 1 20 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000791020391

>  <name>
NA

>  <smiles>
Oc1[nH]c(=N)sc1CC(=O)N1CC2(CCC2)c2ccccc12

$$$$
ZINC001416264121
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 8.6393 0.2318 0.0 0
M  V30 2 C 7.6448 0.3364 0.0 0
M  V30 3 C 7.1448 1.2024 0.0 0
M  V30 4 C 6.9757 -0.4067 0.0 0
M  V30 5 N 6.1667 0.9945 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 O 5.1961 -1.4999 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 1.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 1.732 1.5 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 C -0.866 0.0 0.0 0
M  V30 19 C 0.0 -1.4999 0.0 0
M  V30 20 C -1.732 -0.4999 0.0 0
M  V30 21 C -0.866 -1.9999 0.0 0
M  V30 22 O -2.598 0.0 0.0 0
M  V30 23 N -1.732 -1.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 20 23
M  V30 23 1 5 6
M  V30 24 1 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001416264121

>  <name>
NA

>  <smiles>
CCC(CNC(=O)c1cc(F)c[nH]1)NC(=O)C1CCNC(=O)C1

$$$$
ZINC000292115754
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.9282 1.4999 0.0 0
M  V30 2 C 6.0621 0.9999 0.0 0
M  V30 3 C 5.1961 1.4999 0.0 0
M  V30 4 C 6.0621 0.0 0.0 0
M  V30 5 C 4.3301 0.9999 0.0 0
M  V30 6 C 5.1961 -0.5 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 3.4641 -0.5 0.0 0
M  V30 9 O 3.4641 -1.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 N 1.732 -0.5 0.0 0
M  V30 12 C 2.598 1.0 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 O 0.866 1.0 0.0 0
M  V30 15 C 0.0 -0.5 0.0 0
M  V30 16 C -0.866 0.0 0.0 0
M  V30 17 C 0.0 -1.4999 0.0 0
M  V30 18 C -1.732 -0.4999 0.0 0
M  V30 19 C -0.866 -1.9999 0.0 0
M  V30 20 C -1.732 -1.4999 0.0 0
M  V30 21 C -2.598 0.0 0.0 0
M  V30 22 O -2.598 -1.9999 0.0 0
M  V30 23 C -3.4641 -0.4999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 2 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 2 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 6 7
M  V30 24 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000292115754

>  <name>
NA

>  <smiles>
CCc1cc(ccc1O)C(=O)NC(C)C(O)c1ccc(F)cc1

$$$$
ZINC001450918215
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 7.5515 2.1159 0.0 0
M  V30 2 C 7.1448 1.2024 0.0 0
M  V30 3 N 6.1667 0.9945 0.0 0
M  V30 4 C 7.6448 0.3364 0.0 0
M  V30 5 C 6.0621 0.0 0.0 0
M  V30 6 Cl 8.6393 0.2318 0.0 0
M  V30 7 C 6.9757 -0.4067 0.0 0
M  V30 8 C 5.1961 -0.5 0.0 0
M  V30 9 O 5.1961 -1.4999 0.0 0
M  V30 10 N 4.3301 0.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 C 3.4641 -1.5 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 4.3301 -2.0 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 O 0.866 1.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 N -0.9135 -0.0932 0.0 0
M  V30 20 N -0.1045 -1.4945 0.0 0
M  V30 21 C -1.5826 -0.8364 0.0 0
M  V30 22 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 11 10 CFG=1
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 5 7
M  V30 23 2 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001450918215

>  <name>
NA

>  <smiles>
CCC(CNC(=O)c1ncc[nH]1)NC(=O)c1cc(Cl)c(Cl)[nH]1

$$$$
ZINC000832244115
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 10.3923 2.2499 0.0 0
M  V30 2 C 9.0932 1.4999 0.0 0
M  V30 3 C 7.7942 2.25 0.0 0
M  V30 4 C 9.0932 0.0 0.0 0
M  V30 5 C 6.4951 1.5 0.0 0
M  V30 6 C 7.7942 -0.7499 0.0 0
M  V30 7 C 6.4951 0.0 0.0 0
M  V30 8 N 5.1961 -0.75 0.0 0
M  V30 9 N 3.8971 0.0 0.0 0
M  V30 10 C 5.1961 -2.2499 0.0 0
M  V30 11 C 2.598 -0.75 0.0 0
M  V30 12 C 3.8971 -3.0 0.0 0
M  V30 13 C 2.598 -2.25 0.0 0
M  V30 14 C 1.299 0.0 0.0 0
M  V30 15 O 1.299 -2.9999 0.0 0
M  V30 16 O 1.299 1.5 0.0 0
M  V30 17 N 0.0 -0.75 0.0 0
M  V30 18 C -1.3703 -0.1398 0.0 0
M  V30 19 C -0.1567 -2.2417 0.0 0
M  V30 20 C -2.374 -1.2546 0.0 0 CFG=2
M  V30 21 C -1.624 -2.5536 0.0 0
M  V30 22 N -3.8657 -1.0978 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 2 10 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 2 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 20 18
M  V30 20 1 19 21
M  V30 21 1 20 22 CFG=3
M  V30 22 1 6 7
M  V30 23 1 12 13
M  V30 24 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 20)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000832244115

>  <name>
NA

>  <smiles>
NC1CCN(C1)C(=O)c1nn(ccc1=O)-c1ccc(F)cc1

$$$$
ZINC000845816500
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 6.0621 1.0 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 C 5.1961 -0.5 0.0 0
M  V30 4 C 6.9282 -0.4999 0.0 0
M  V30 5 C 5.1961 -1.4999 0.0 0
M  V30 6 C 4.3301 0.0 0.0 0 CFG=1
M  V30 7 C 6.9282 -1.4999 0.0 0
M  V30 8 F 4.3301 -1.9999 0.0 0
M  V30 9 C 6.0621 -1.9999 0.0 0
M  V30 10 O 4.3301 1.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 2.598 0.0 0.0 0
M  V30 13 C 1.732 -0.5 0.0 0
M  V30 14 O 1.732 -1.5 0.0 0
M  V30 15 C 0.866 0.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 N -0.9135 -0.0932 0.0 0
M  V30 18 C -0.1045 -1.4945 0.0 0
M  V30 19 N -1.5826 -0.8364 0.0 0
M  V30 20 C -1.0826 -1.7024 0.0 0
M  V30 21 C -2.5771 -0.7318 0.0 0
M  V30 22 C -3.1649 -1.5408 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 6 3
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 5 9
M  V30 9 1 6 10 CFG=3
M  V30 10 1 6 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 19 21
M  V30 21 1 21 22
M  V30 22 1 7 9
M  V30 23 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000845816500

>  <name>
NA

>  <smiles>
CCn1ccc(CC(=O)NCC(O)c2c(F)cccc2F)n1

$$$$
ZINC001642665744
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.0621 -3.0 0.0 0
M  V30 2 C 6.0621 -2.0 0.0 0
M  V30 3 N 6.9282 -1.5 0.0 0
M  V30 4 C 5.1961 -1.4999 0.0 0
M  V30 5 N 7.8792 -1.809 0.0 0
M  V30 6 C 6.9282 -0.5 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 C 8.467 -1.0 0.0 0
M  V30 9 N 7.8792 -0.1909 0.0 0
M  V30 10 N 6.0621 0.0 0.0 0
M  V30 11 C 4.3301 0.0 0.0 0
M  V30 12 N 9.467 -1.0 0.0 0
M  V30 13 N 3.4641 -0.5 0.0 0
M  V30 14 C 2.598 0.0 0.0 0 CFG=2
M  V30 15 C 2.598 1.0 0.0 0
M  V30 16 C 1.732 -0.5 0.0 0
M  V30 17 O 3.407 1.5877 0.0 0
M  V30 18 C 1.789 1.5877 0.0 0
M  V30 19 O 0.866 0.0 0.0 0
M  V30 20 C 3.098 2.5388 0.0 0
M  V30 21 C 2.098 2.5388 0.0 0
M  V30 22 C 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13 CFG=1
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 15 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 7 10
M  V30 23 1 8 9
M  V30 24 2 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001642665744

>  <name>
NA

>  <smiles>
COCC(NCc1cc(=O)n2[nH]c(=N)nc2[nH]1)c1ccco1

$$$$
ZINC001570127204
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 19 20 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.0621 0.0 0.0 0
M  V30 2 C 5.1961 -0.5 0.0 0
M  V30 3 C 4.3301 0.0 0.0 0
M  V30 4 C 5.1961 -1.4999 0.0 0
M  V30 5 C 3.4641 -0.5 0.0 0
M  V30 6 C 4.3301 -1.9999 0.0 0
M  V30 7 N 3.4641 -1.4999 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 N 1.732 -0.5 0.0 0
M  V30 10 C 0.866 0.0 0.0 0
M  V30 11 O 0.866 1.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C -0.866 0.0 0.0 0
M  V30 14 C 0.0 -1.4999 0.0 0
M  V30 15 C -1.732 -0.4999 0.0 0
M  V30 16 C -0.866 -1.9999 0.0 0
M  V30 17 C -1.732 -1.4999 0.0 0
M  V30 18 C -2.598 0.0 0.0 0
M  V30 19 O -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 2 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 2 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 1 17 19
M  V30 19 1 6 7
M  V30 20 1 16 17
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001570127204

>  <name>
NA

>  <smiles>
Cc1cc(ccc1O)C(=O)NCc1cc(=O)cc[nH]1

$$$$
ZINC000910398122
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 9.0932 0.0 0.0 0
M  V30 2 C 7.7942 -0.75 0.0 0
M  V30 3 C 6.4951 0.0 0.0 0
M  V30 4 C 7.7942 -2.2499 0.0 0
M  V30 5 C 5.1961 -0.75 0.0 0
M  V30 6 C 6.4951 -3.0 0.0 0
M  V30 7 N 5.1961 -2.2499 0.0 0
M  V30 8 C 3.8971 0.0 0.0 0
M  V30 9 N 2.598 -0.75 0.0 0
M  V30 10 C 1.299 0.0 0.0 0
M  V30 11 O 1.299 1.5 0.0 0
M  V30 12 C 0.0 -0.75 0.0 0
M  V30 13 N -1.3703 -0.1398 0.0 0
M  V30 14 C -0.1567 -2.2417 0.0 0
M  V30 15 C -2.374 -1.2546 0.0 0
M  V30 16 C -1.8338 1.2866 0.0 0
M  V30 17 N -1.624 -2.5536 0.0 0
M  V30 18 C -3.8412 -0.9427 0.0 0
M  V30 19 C -3.301 1.5985 0.0 0
M  V30 20 C -4.3047 0.4838 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 2 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 2 12 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 16 19
M  V30 19 1 18 20
M  V30 20 1 6 7
M  V30 21 2 15 17
M  V30 22 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000910398122

>  <name>
NA

>  <smiles>
O=C(NCc1cc(=O)cc[nH]1)c1cnc2CCCCn12

$$$$
ZINC001432601913
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 8.6393 0.2318 0.0 0
M  V30 2 C 7.6448 0.3364 0.0 0
M  V30 3 C 7.1448 1.2024 0.0 0
M  V30 4 C 6.9757 -0.4067 0.0 0
M  V30 5 N 6.1667 0.9945 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 O 5.1961 -1.4999 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 2.598 1.0 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 C 1.732 1.5 0.0 0
M  V30 16 O 0.866 1.0 0.0 0
M  V30 17 C 0.0 -0.5 0.0 0
M  V30 18 N -0.9135 -0.0932 0.0 0
M  V30 19 C -0.1045 -1.4945 0.0 0
M  V30 20 C -1.5826 -0.8364 0.0 0
M  V30 21 O -1.0826 -1.7024 0.0 0
M  V30 22 O -2.5771 -0.7318 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 1 17 18
M  V30 18 2 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 1 5 6
M  V30 23 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001432601913

>  <name>
NA

>  <smiles>
CCC(CNC(=O)c1cc(Cl)c[nH]1)NC(O)c1coc(=O)[nH]1

$$$$
ZINC001450950942
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 6.9757 -0.4067 0.0 0
M  V30 2 N 7.6448 0.3364 0.0 0
M  V30 3 C 6.0621 0.0 0.0 0
M  V30 4 C 7.1448 1.2024 0.0 0
M  V30 5 C 5.1961 -0.5 0.0 0
M  V30 6 C 6.1667 0.9945 0.0 0
M  V30 7 O 5.1961 -1.4999 0.0 0
M  V30 8 N 4.3301 0.0 0.0 0
M  V30 9 C 3.4641 -0.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0 CFG=1
M  V30 11 N 1.732 -0.5 0.0 0
M  V30 12 C 2.598 1.0 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 C 1.732 1.5 0.0 0
M  V30 15 O 0.866 1.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 N -0.9135 -0.0932 0.0 0
M  V30 18 C -0.1045 -1.4945 0.0 0
M  V30 19 C -1.5826 -0.8364 0.0 0
M  V30 20 C -1.0826 -1.7024 0.0 0
M  V30 21 C -2.5608 -1.0443 0.0 0
M  V30 22 C -1.7518 -2.4455 0.0 0
M  V30 23 C -2.6653 -2.0388 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 3 5
M  V30 5 2 3 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 10 9
M  V30 10 1 10 11 CFG=1
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 2 13 15
M  V30 15 1 13 16
M  V30 16 1 16 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 23
M  V30 23 1 4 6
M  V30 24 2 19 20
M  V30 25 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 10)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001450950942

>  <name>
NA

>  <smiles>
CCC(CNC(=O)c1ccns1)NC(=O)c1cc2CCCc2[nH]1

$$$$
ZINC001570127047
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 21 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 0.0 0.0 0
M  V30 2 C 6.9282 -0.5 0.0 0
M  V30 3 C 6.0621 0.0 0.0 0
M  V30 4 C 6.9282 -1.5 0.0 0
M  V30 5 C 5.1961 -0.5 0.0 0
M  V30 6 C 6.0621 -2.0 0.0 0
M  V30 7 N 5.1961 -1.5 0.0 0
M  V30 8 C 4.3301 0.0 0.0 0
M  V30 9 N 3.4641 -0.5 0.0 0
M  V30 10 C 2.598 0.0 0.0 0
M  V30 11 O 2.598 1.0 0.0 0
M  V30 12 C 1.732 -0.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 C 0.0 -0.5 0.0 0
M  V30 15 N -0.9135 -0.0932 0.0 0
M  V30 16 C -0.1045 -1.4945 0.0 0
M  V30 17 C -1.5826 -0.8364 0.0 0
M  V30 18 O 0.6386 -2.1636 0.0 0
M  V30 19 N -1.0826 -1.7024 0.0 0
M  V30 20 O -2.5771 -0.7318 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 2 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 2 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 6 7
M  V30 21 1 17 19
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001570127047

>  <name>
NA

>  <smiles>
Oc1[nH]c(=O)[nH]c1CCC(=O)NCc1cc(=O)cc[nH]1

$$$$
ZINC001511104155
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 9.0461 -0.6816 0.0 0
M  V30 2 C 8.6393 0.2318 0.0 0
M  V30 3 F 9.2271 1.0408 0.0 0
M  V30 4 C 7.6448 0.3364 0.0 0
M  V30 5 N 7.1448 1.2024 0.0 0
M  V30 6 C 6.9757 -0.4067 0.0 0
M  V30 7 N 6.1667 0.9945 0.0 0
M  V30 8 C 6.0621 0.0 0.0 0
M  V30 9 C 5.1961 -0.5 0.0 0
M  V30 10 O 5.1961 -1.4999 0.0 0
M  V30 11 N 4.3301 0.0 0.0 0
M  V30 12 C 3.4641 -0.5 0.0 0
M  V30 13 C 2.598 0.0 0.0 0 CFG=2
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 2.598 1.0 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 O 1.732 1.5 0.0 0
M  V30 18 O 0.866 1.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 C -0.9135 -0.0932 0.0 0
M  V30 21 C -0.1045 -1.4945 0.0 0
M  V30 22 O -1.5826 -0.8364 0.0 0
M  V30 23 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 4 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 13 12
M  V30 13 1 13 14 CFG=3
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 2 7 8
M  V30 24 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001511104155

>  <name>
NA

>  <smiles>
OCC(CNC(=O)c1cc([nH]n1)C(F)F)NC(=O)c1ccoc1

$$$$
ZINC001506940338
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 12.9695 -0.7318 0.0 0
M  V30 2 C 11.9749 -0.8364 0.0 0
M  V30 3 N 11.3058 -0.0932 0.0 0
M  V30 4 C 11.4749 -1.7024 0.0 0
M  V30 5 C 10.3923 -0.5 0.0 0
M  V30 6 C 10.4968 -1.4945 0.0 0
M  V30 7 C 9.5262 0.0 0.0 0
M  V30 8 O 9.5262 1.0 0.0 0
M  V30 9 N 8.6602 -0.5 0.0 0
M  V30 10 C 7.7942 0.0 0.0 0 CFG=2
M  V30 11 C 6.9282 -0.5 0.0 0
M  V30 12 C 7.7942 0.9999 0.0 0
M  V30 13 C 6.0621 0.0 0.0 0
M  V30 14 C 5.1961 -0.5 0.0 0
M  V30 15 N 4.3301 0.0 0.0 0
M  V30 16 C 3.4641 -0.5 0.0 0
M  V30 17 C 2.598 0.0 0.0 0
M  V30 18 O 2.598 1.0 0.0 0
M  V30 19 N 1.732 -0.5 0.0 0
M  V30 20 C 0.866 0.0 0.0 0
M  V30 21 O 0.866 1.0 0.0 0
M  V30 22 N 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 10 9 CFG=3
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 19 20
M  V30 20 2 20 21
M  V30 21 1 20 22
M  V30 22 2 5 6
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 10)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001506940338

>  <name>
NA

>  <smiles>
CC(CCCNCC(=O)NC(N)=O)NC(=O)c1ccc(Cl)[nH]1

$$$$
ZINC001399017933
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 7.5515 2.1159 0.0 0
M  V30 2 C 7.1448 1.2024 0.0 0
M  V30 3 N 6.1667 0.9945 0.0 0
M  V30 4 C 7.6448 0.3364 0.0 0
M  V30 5 C 6.0621 0.0 0.0 0
M  V30 6 Cl 8.6393 0.2318 0.0 0
M  V30 7 C 6.9757 -0.4067 0.0 0
M  V30 8 C 5.1961 -0.5 0.0 0
M  V30 9 O 5.1961 -1.4999 0.0 0
M  V30 10 N 4.3301 0.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 C 3.4641 -1.5 0.0 0
M  V30 14 N 1.732 -0.5 0.0 0
M  V30 15 C 4.3301 -2.0 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 O 0.866 1.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 O -0.9135 -0.0932 0.0 0
M  V30 20 C -0.1045 -1.4945 0.0 0
M  V30 21 C -1.5826 -0.8364 0.0 0
M  V30 22 N -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 4 7
M  V30 7 1 5 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 11 10 CFG=1
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 16 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 2 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 5 7
M  V30 23 2 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001399017933

>  <name>
NA

>  <smiles>
CCC(CNC(=O)c1cnco1)NC(=O)c1cc(Cl)c(Cl)[nH]1

$$$$
ZINC001243698492
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.598 -3.0 0.0 0
M  V30 2 C 2.598 -1.9999 0.0 0
M  V30 3 C 3.4641 -1.5 0.0 0
M  V30 4 C 1.732 -1.5 0.0 0
M  V30 5 C 3.4641 -0.5 0.0 0
M  V30 6 C 1.732 -0.5 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 C 0.866 0.0 0.0 0
M  V30 10 C 5.1961 -0.5 0.0 0
M  V30 11 C 4.3301 0.9999 0.0 0
M  V30 12 O 0.0 -0.5 0.0 0
M  V30 13 C 6.0621 0.0 0.0 0
M  V30 14 C 5.1961 1.5 0.0 0
M  V30 15 N 6.0621 0.9999 0.0 0
M  V30 16 C 6.9282 -0.5 0.0 0
M  V30 17 C 5.1961 2.5 0.0 0
M  V30 18 O 6.9282 -1.5 0.0 0
M  V30 19 N 7.7942 0.0 0.0 0
M  V30 20 O 6.0621 3.0 0.0 0
M  V30 21 N 4.3301 3.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 2 7 10
M  V30 10 1 7 11
M  V30 11 1 9 12
M  V30 12 1 10 13
M  V30 13 2 11 14
M  V30 14 2 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 17 21
M  V30 21 1 6 8
M  V30 22 1 14 15
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001243698492

>  <name>
NA

>  <smiles>
NC(=O)c1cc(cc(n1)C(N)=O)-c1cc(F)cc(CO)c1

$$$$
ZINC001173479479
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 9.2788 2.7024 0.0 0
M  V30 2 C 8.2788 2.7024 0.0 0
M  V30 3 C 7.7788 3.5684 0.0 0
M  V30 4 C 7.7788 1.8364 0.0 0
M  V30 5 F 8.2788 4.4344 0.0 0
M  V30 6 C 6.7788 3.5684 0.0 0
M  V30 7 C 6.7788 1.8364 0.0 0
M  V30 8 C 6.2788 2.7024 0.0 0
M  V30 9 C 6.1096 1.0932 0.0 0
M  V30 10 C 5.3006 2.4945 0.0 0
M  V30 11 C 5.1961 1.4999 0.0 0
M  V30 12 N 4.3301 0.9999 0.0 0
M  V30 13 C 4.3301 0.0 0.0 0 CFG=2
M  V30 14 C 5.1961 -0.5 0.0 0
M  V30 15 C 3.4641 -0.5 0.0 0
M  V30 16 O 5.1961 -1.4999 0.0 0
M  V30 17 N 6.0621 0.0 0.0 0
M  V30 18 C 2.598 0.0 0.0 0
M  V30 19 C 6.9282 -0.5 0.0 0
M  V30 20 C 1.732 -0.5 0.0 0
M  V30 21 C 0.866 0.0 0.0 0
M  V30 22 N 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 6 8
M  V30 8 1 7 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 13 12 CFG=3
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 2 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 1 21 22
M  V30 22 1 7 8
M  V30 23 1 10 11
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001173479479

>  <name>
NA

>  <smiles>
CNC(=O)C(CCCCN)NC1Cc2cc(F)c(F)cc2C1

$$$$
ZINC001239264983
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.4641 2.5 0.0 0
M  V30 2 C 3.4641 1.5 0.0 0
M  V30 3 C 2.598 1.0 0.0 0
M  V30 4 C 4.3301 1.0 0.0 0
M  V30 5 C 2.598 0.0 0.0 0
M  V30 6 C 4.3301 0.0 0.0 0
M  V30 7 N 1.732 -0.5 0.0 0
M  V30 8 C 3.4641 -0.4999 0.0 0
M  V30 9 C 5.1961 -0.5 0.0 0
M  V30 10 C 0.866 0.0 0.0 0
M  V30 11 F 5.6961 0.366 0.0 0
M  V30 12 F 6.0621 -1.0 0.0 0
M  V30 13 F 4.6961 -1.366 0.0 0
M  V30 14 O 0.866 1.0 0.0 0
M  V30 15 N 0.0 -0.5 0.0 0
M  V30 16 C -0.866 0.0 0.0 0
M  V30 17 C 0.0 -1.4999 0.0 0
M  V30 18 C -1.732 -0.4999 0.0 0
M  V30 19 C -0.866 -1.9999 0.0 0
M  V30 20 N -2.598 0.0 0.0 0
M  V30 21 C -1.732 -1.4999 0.0 0
M  V30 22 O -2.598 -1.9999 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 1 9 11
M  V30 11 1 9 12
M  V30 12 1 9 13
M  V30 13 2 10 14
M  V30 14 1 10 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 1 21 22
M  V30 22 1 6 8
M  V30 23 1 19 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001239264983

>  <name>
NA

>  <smiles>
NC1CN(CCC1O)C(=O)Nc1cc(F)cc(c1)C(F)(F)F

$$$$
ZINC001188475613
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 18 19 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 5.1961 -0.5 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 C 6.0621 0.0 0.0 0
M  V30 4 N 4.3301 1.0 0.0 0
M  V30 5 N 3.4641 -0.4999 0.0 0
M  V30 6 C 3.4641 1.5 0.0 0
M  V30 7 C 2.598 0.0 0.0 0
M  V30 8 O 3.4641 2.5 0.0 0
M  V30 9 C 2.598 1.0 0.0 0
M  V30 10 N 1.732 -0.5 0.0 0
M  V30 11 C 0.866 0.0 0.0 0
M  V30 12 O 0.866 1.0 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0
M  V30 14 N -0.9135 -0.0932 0.0 0
M  V30 15 C -0.1045 -1.4945 0.0 0
M  V30 16 C -1.5826 -0.8364 0.0 0
M  V30 17 C -1.0826 -1.7024 0.0 0
M  V30 18 F -1.4894 -2.6159 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 2 6 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 1 10 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 17 18
M  V30 18 2 7 9
M  V30 19 2 16 17
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001188475613

>  <name>
NA

>  <smiles>
CSc1nc(=O)cc(NC(=O)c2cc(F)c[nH]2)[nH]1

$$$$
ZINC000680349155
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 -0.5 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 N 4.3301 1.0 0.0 0
M  V30 4 C 3.4641 -0.4999 0.0 0
M  V30 5 C 3.4641 1.5 0.0 0
M  V30 6 C 2.598 0.0 0.0 0
M  V30 7 C 2.598 1.0 0.0 0
M  V30 8 C 3.4641 2.5 0.0 0
M  V30 9 C 1.732 -0.5 0.0 0
M  V30 10 C 2.598 3.0 0.0 0
M  V30 11 O 1.732 -1.5 0.0 0
M  V30 12 N 0.866 0.0 0.0 0
M  V30 13 C 0.0 -0.5 0.0 0
M  V30 14 C -0.2588 0.4659 0.0 0
M  V30 15 C -0.4999 -1.366 0.0 0
M  V30 16 C -0.9999 -0.5 0.0 0
M  V30 17 C -1.2247 0.7247 0.0 0
M  V30 18 C 0.4482 1.173 0.0 0
M  V30 19 C -1.4835 1.6906 0.0 0
M  V30 20 C 0.1894 2.1389 0.0 0
M  V30 21 O -2.4494 1.9494 0.0 0
M  V30 22 C -0.7764 2.3977 0.0 0
M  V30 23 C -2.7083 2.9154 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 10 2 9 11
M  V30 11 1 9 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 14 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 19 21
M  V30 21 2 19 22
M  V30 22 1 21 23
M  V30 23 1 6 7
M  V30 24 1 15 16
M  V30 25 1 20 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000680349155

>  <name>
NA

>  <smiles>
CCC1CC(CC(=O)N1)C(=O)NC1(CC1)c1cccc(OC)c1

$$$$
ZINC001643344952
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 19 20 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9282 -0.5 0.0 0
M  V30 2 C 6.0621 0.0 0.0 0
M  V30 3 N 6.0621 0.9999 0.0 0
M  V30 4 C 5.1961 -0.4999 0.0 0
M  V30 5 N 6.8053 1.6691 0.0 0
M  V30 6 C 5.1961 1.4999 0.0 0
M  V30 7 C 4.3301 0.0 0.0 0
M  V30 8 C 6.3985 2.5826 0.0 0
M  V30 9 N 5.404 2.4781 0.0 0
M  V30 10 N 4.3301 1.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0
M  V30 12 N 6.8985 3.4487 0.0 0
M  V30 13 N 2.598 0.0 0.0 0
M  V30 14 C 1.732 -0.5 0.0 0 CFG=2
M  V30 15 C 1.732 -1.5 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 2.598 -2.0 0.0 0
M  V30 18 C 0.0 -0.5 0.0 0
M  V30 19 N 3.4641 -2.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 6 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 2 8 12
M  V30 12 1 11 13
M  V30 13 1 14 13 CFG=3
M  V30 14 1 14 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 3 17 19
M  V30 19 1 7 10
M  V30 20 1 8 9
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001643344952

>  <name>
NA

>  <smiles>
CCC(CC#N)NCc1cc(=O)n2[nH]c(=N)nc2[nH]1

$$$$
ZINC001169133466
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 13.8355 0.2318 0.0 0
M  V30 2 C 12.841 0.3364 0.0 0
M  V30 3 C 12.341 1.2024 0.0 0
M  V30 4 C 12.1718 -0.4067 0.0 0
M  V30 5 N 11.3628 0.9945 0.0 0
M  V30 6 C 11.2583 0.0 0.0 0
M  V30 7 C 10.3923 -0.5 0.0 0
M  V30 8 O 10.3923 -1.5 0.0 0
M  V30 9 N 9.5262 0.0 0.0 0
M  V30 10 C 8.6602 -0.5 0.0 0 CFG=2
M  V30 11 C 7.7942 0.0 0.0 0
M  V30 12 C 8.6602 -1.4999 0.0 0
M  V30 13 C 6.9282 -0.5 0.0 0
M  V30 14 C 6.0621 0.0 0.0 0
M  V30 15 C 5.1961 -0.5 0.0 0
M  V30 16 N 4.3301 0.0 0.0 0
M  V30 17 C 3.4641 -0.5 0.0 0
M  V30 18 C 2.598 0.0 0.0 0
M  V30 19 O 2.598 1.0 0.0 0
M  V30 20 N 1.732 -0.5 0.0 0
M  V30 21 C 0.866 0.0 0.0 0
M  V30 22 O 0.866 1.0 0.0 0
M  V30 23 N 0.0 -0.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 10 9 CFG=1
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 1 20 21
M  V30 21 2 21 22
M  V30 22 1 21 23
M  V30 23 1 5 6
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 10)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001169133466

>  <name>
NA

>  <smiles>
CC(CCCCNCC(=O)NC(N)=O)NC(=O)c1cc(Cl)c[nH]1

$$$$
ZINC001413047303
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 9.0932 1.5 0.0 0
M  V30 2 C 9.0932 0.0 0.0 0
M  V30 3 N 7.7942 -0.75 0.0 0
M  V30 4 C 10.3923 -0.75 0.0 0
M  V30 5 C 7.7942 -2.25 0.0 0
M  V30 6 C 6.4952 0.0 0.0 0
M  V30 7 C 10.3923 -2.25 0.0 0
M  V30 8 C 9.0932 -3.0 0.0 0
M  V30 9 C 5.1961 -0.75 0.0 0 CFG=2
M  V30 10 O 4.4461 -2.049 0.0 0
M  V30 11 C 3.8971 0.0 0.0 0
M  V30 12 C 5.9461 -2.049 0.0 0
M  V30 13 O 3.8971 1.5 0.0 0
M  V30 14 N 2.598 -0.75 0.0 0
M  V30 15 C 1.299 0.0 0.0 0
M  V30 16 C 0.0 -0.75 0.0 0
M  V30 17 N -1.299 0.0 0.0 0
M  V30 18 C 0.0 -2.25 0.0 0
M  V30 19 C -2.598 -0.75 0.0 0
M  V30 20 C -1.299 -3.0 0.0 0
M  V30 21 C -2.598 -2.25 0.0 0
M  V30 22 O -1.299 -4.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 9 6
M  V30 9 1 9 10 CFG=3
M  V30 10 1 9 11
M  V30 11 1 9 12
M  V30 12 2 11 13
M  V30 13 1 11 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 2 20 22
M  V30 22 1 7 8
M  V30 23 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001413047303

>  <name>
NA

>  <smiles>
CC(O)(Cn1ccccc1=O)C(=O)NCc1cc(=O)cc[nH]1

$$$$
ZINC000496747868
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 9.1602 0.366 0.0 0
M  V30 2 C 8.6602 -0.5 0.0 0
M  V30 3 F 9.5262 -0.9999 0.0 0
M  V30 4 F 8.1602 -1.366 0.0 0
M  V30 5 C 7.7942 0.0 0.0 0
M  V30 6 N 6.9282 -0.5 0.0 0
M  V30 7 C 6.0621 0.0 0.0 0
M  V30 8 C 5.1961 -0.5 0.0 0
M  V30 9 O 5.1961 -1.4999 0.0 0
M  V30 10 N 4.3301 0.0 0.0 0
M  V30 11 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 12 C 2.598 0.0 0.0 0
M  V30 13 C 3.4641 -1.5 0.0 0
M  V30 14 O 1.732 -0.5 0.0 0
M  V30 15 C 2.598 -2.0 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 2.598 -3.0 0.0 0
M  V30 18 C 1.732 -1.5 0.0 0
M  V30 19 O 0.866 1.0 0.0 0
M  V30 20 N 0.0 -0.5 0.0 0
M  V30 21 C 1.732 -3.5 0.0 0
M  V30 22 C 0.866 -1.9999 0.0 0
M  V30 23 C 0.866 -3.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 5 6
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 11 10 CFG=1
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 2 15 17
M  V30 17 1 15 18
M  V30 18 2 16 19
M  V30 19 1 16 20
M  V30 20 1 17 21
M  V30 21 2 18 22
M  V30 22 2 21 23
M  V30 23 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000496747868

>  <name>
NA

>  <smiles>
NC(=O)OCC(Cc1ccccc1)NC(=O)CNCC(F)(F)F

$$$$
ZINC001361930268
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.7942 -0.75 0.0 0
M  V30 2 C 6.4951 0.0 0.0 0
M  V30 3 N 6.4951 1.5 0.0 0
M  V30 4 C 5.1961 -0.7499 0.0 0
M  V30 5 C 5.1961 2.25 0.0 0
M  V30 6 C 3.8971 0.0 0.0 0
M  V30 7 C 3.8971 1.5 0.0 0
M  V30 8 C 5.1961 3.75 0.0 0
M  V30 9 C 2.598 -0.75 0.0 0 CFG=2
M  V30 10 C 2.598 2.25 0.0 0
M  V30 11 C 3.8971 4.5 0.0 0
M  V30 12 O 2.598 -2.25 0.0 0
M  V30 13 N 1.299 0.0 0.0 0
M  V30 14 C 2.598 3.7499 0.0 0
M  V30 15 C 0.0 -0.75 0.0 0
M  V30 16 N -1.3703 -0.1398 0.0 0
M  V30 17 C -0.1567 -2.2417 0.0 0
M  V30 18 N -2.374 -1.2546 0.0 0
M  V30 19 C -1.6821 1.3273 0.0 0
M  V30 20 C -1.624 -2.5536 0.0 0
M  V30 21 C -3.1087 1.7908 0.0 0
M  V30 22 C -2.2341 -3.9239 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 9 6
M  V30 9 1 7 10
M  V30 10 2 8 11
M  V30 11 1 9 12 CFG=3
M  V30 12 1 9 13
M  V30 13 2 10 14
M  V30 14 2 13 15 CFG=2
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 6 7
M  V30 23 1 11 14
M  V30 24 1 18 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001361930268

>  <name>
NA

>  <smiles>
CCn1[nH]c(C)cc1=NC(O)c1cc(=O)[nH]c2ccccc12

$$$$
ZINC001553126216
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.0621 0.0 0.0 0
M  V30 2 C 5.1961 -0.5 0.0 0
M  V30 3 N 4.3301 0.0 0.0 0
M  V30 4 C 5.1961 -1.4999 0.0 0
M  V30 5 C 3.4641 -0.5 0.0 0
M  V30 6 C 4.3301 -1.9999 0.0 0
M  V30 7 C 3.4641 -1.4999 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 N 1.732 -0.5 0.0 0
M  V30 10 C 0.866 0.0 0.0 0
M  V30 11 O 0.866 1.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C -0.9135 -0.0932 0.0 0
M  V30 14 C -0.1045 -1.4945 0.0 0
M  V30 15 C -1.5826 -0.8364 0.0 0
M  V30 16 C -1.0826 -1.7024 0.0 0
M  V30 17 O -2.5771 -0.7318 0.0 0
M  V30 18 C -1.941 0.0971 0.0 0
M  V30 19 C -1.3117 0.8743 0.0 0
M  V30 20 C -2.9287 0.2536 0.0 0
M  V30 21 C -1.67 1.8078 0.0 0
M  V30 22 C -3.2871 1.1871 0.0 0
M  V30 23 C -2.6577 1.9643 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 2 5 7
M  V30 7 1 5 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 13 15
M  V30 15 1 14 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 2 18 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 2 21 23
M  V30 23 1 6 7
M  V30 24 1 15 16
M  V30 25 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001553126216

>  <name>
NA

>  <smiles>
OC1(CCC(C1)C(=O)NCc1cccc(=O)[nH]1)c1ccccc1

$$$$
ZINC001388009227
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.1961 -1.5 0.0 0
M  V30 2 C 5.1961 -0.5 0.0 0
M  V30 3 N 4.3301 0.0 0.0 0
M  V30 4 C 6.0621 0.0 0.0 0
M  V30 5 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 6 N 6.1667 0.9945 0.0 0
M  V30 7 C 6.9757 -0.4067 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 C 3.4641 -1.5 0.0 0
M  V30 10 C 7.1448 1.2024 0.0 0
M  V30 11 C 7.6448 0.3364 0.0 0
M  V30 12 N 1.732 -0.5 0.0 0
M  V30 13 C 4.3301 -2.0 0.0 0
M  V30 14 C 7.8139 1.9455 0.0 0
M  V30 15 C 8.623 0.5443 0.0 0
M  V30 16 C 0.866 0.0 0.0 0
M  V30 17 C 8.7275 1.5388 0.0 0
M  V30 18 O 0.866 1.0 0.0 0
M  V30 19 C 0.0 -0.5 0.0 0
M  V30 20 C -0.9135 -0.0932 0.0 0
M  V30 21 C -0.1045 -1.4945 0.0 0
M  V30 22 O -1.5826 -0.8364 0.0 0
M  V30 23 C -1.0826 -1.7024 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 5 3 CFG=1
M  V30 5 1 4 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 8 12
M  V30 12 1 9 13
M  V30 13 1 10 14
M  V30 14 1 11 15
M  V30 15 1 12 16
M  V30 16 1 14 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 19 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 2 21 23
M  V30 23 2 10 11
M  V30 24 1 15 17
M  V30 25 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001388009227

>  <name>
NA

>  <smiles>
CCC(CNC(=O)c1ccoc1)NC(=O)c1cc2CCCc2[nH]1

$$$$
ZINC000620583021
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 21 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 9.0932 0.0 0.0 0
M  V30 2 O 9.8432 1.299 0.0 0
M  V30 3 O 8.3432 1.299 0.0 0
M  V30 4 N 7.7942 -0.75 0.0 0
M  V30 5 N 10.3923 -0.75 0.0 0
M  V30 6 C 6.4952 0.0 0.0 0
M  V30 7 C 11.6913 0.0 0.0 0
M  V30 8 C 5.1961 -0.75 0.0 0
M  V30 9 O 5.1961 -2.25 0.0 0
M  V30 10 N 3.8971 0.0 0.0 0
M  V30 11 C 2.598 -0.75 0.0 0 CFG=2
M  V30 12 C 2.598 -2.25 0.0 0
M  V30 13 C 1.299 0.0 0.0 0
M  V30 14 C 1.299 -3.0 0.0 0
M  V30 15 C 3.8971 -3.0 0.0 0
M  V30 16 O 0.0 -0.75 0.0 0
M  V30 17 F 0.0 -2.25 0.0 0
M  V30 18 C 1.299 -4.5 0.0 0
M  V30 19 C 3.8971 -4.5 0.0 0
M  V30 20 C 2.598 -5.25 0.0 0
M  V30 21 F 2.598 -6.75 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 2 1 3
M  V30 3 1 1 4
M  V30 4 1 1 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 11 10 CFG=3
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 2 12 14
M  V30 14 1 12 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 14 18
M  V30 18 2 15 19
M  V30 19 2 18 20
M  V30 20 1 20 21
M  V30 21 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000620583021

>  <name>
NA

>  <smiles>
CNS(=O)(=O)NCC(=O)NC(CO)c1ccc(F)cc1F

$$$$
ZINC001434239213
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.4641 2.5 0.0 0
M  V30 2 C 3.4641 2.5 0.0 0
M  V30 3 F 3.4641 3.5 0.0 0
M  V30 4 F 4.4641 2.5 0.0 0
M  V30 5 C 3.4641 1.5 0.0 0
M  V30 6 C 2.598 1.0 0.0 0
M  V30 7 C 4.3301 1.0 0.0 0
M  V30 8 C 2.598 0.0 0.0 0
M  V30 9 C 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.4999 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0 CFG=1
M  V30 12 O 1.732 -1.5 0.0 0
M  V30 13 C 0.866 0.0 0.0 0
M  V30 14 O 0.866 1.0 0.0 0
M  V30 15 N 0.0 -0.5 0.0 0
M  V30 16 C -0.9659 -0.2411 0.0 0
M  V30 17 C -0.2588 -1.4659 0.0 0
M  V30 18 C -1.2247 -1.2071 0.0 0
M  V30 19 O -1.0942 -2.1985 0.0 0
M  V30 20 C -2.0907 -1.7071 0.0 0
M  V30 21 O -2.0907 -2.7071 0.0 0
M  V30 22 N -2.9567 -1.2071 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 6 8
M  V30 8 2 7 9
M  V30 9 2 8 10
M  V30 10 1 11 8
M  V30 11 1 11 12 CFG=1
M  V30 12 1 11 13
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 18 19
M  V30 19 1 18 20
M  V30 20 2 20 21
M  V30 21 1 20 22
M  V30 22 1 9 10
M  V30 23 1 17 18
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001434239213

>  <name>
NA

>  <smiles>
NC(=O)C1(O)CN(C1)C(=O)C(O)c1cccc(c1)C(F)(F)F

$$$$
ZINC001392953240
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 8.6393 0.2318 0.0 0
M  V30 2 C 7.6448 0.3364 0.0 0
M  V30 3 C 7.1448 1.2024 0.0 0
M  V30 4 C 6.9757 -0.4067 0.0 0
M  V30 5 N 6.1667 0.9945 0.0 0
M  V30 6 C 6.0621 0.0 0.0 0
M  V30 7 C 5.1961 -0.5 0.0 0
M  V30 8 O 5.1961 -1.4999 0.0 0
M  V30 9 N 4.3301 0.0 0.0 0
M  V30 10 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 11 C 2.598 0.0 0.0 0
M  V30 12 C 3.4641 -1.5 0.0 0
M  V30 13 N 1.732 -0.5 0.0 0
M  V30 14 C 0.866 0.0 0.0 0
M  V30 15 O 0.866 1.0 0.0 0
M  V30 16 C 0.0 -0.5 0.0 0
M  V30 17 N -0.9135 -0.0932 0.0 0
M  V30 18 C -0.1045 -1.4945 0.0 0
M  V30 19 C -1.5826 -0.8364 0.0 0
M  V30 20 N -1.0826 -1.7024 0.0 0
M  V30 21 O -2.5771 -0.7318 0.0 0
M  V30 22 C -1.4894 -2.6159 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 10 9 CFG=1
M  V30 10 1 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 16 17
M  V30 17 2 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 2 19 21
M  V30 21 1 20 22
M  V30 22 1 5 6
M  V30 23 1 19 20
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 10)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC001392953240

>  <name>
NA

>  <smiles>
CC(CNC(=O)c1cn(C)c(=O)[nH]1)NC(=O)c1cc(F)c[nH]1

$$$$
ZINC001244365192
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 3.8971 -4.5 0.0 0
M  V30 2 C 3.8971 -3.0 0.0 0
M  V30 3 C 5.1961 -2.25 0.0 0
M  V30 4 C 2.598 -2.25 0.0 0
M  V30 5 C 5.1961 -0.75 0.0 0
M  V30 6 C 6.4952 -3.0 0.0 0
M  V30 7 C 2.598 -0.75 0.0 0
M  V30 8 F 6.4952 0.0 0.0 0
M  V30 9 C 3.8971 0.0 0.0 0
M  V30 10 C 6.4952 -4.5 0.0 0
M  V30 11 C 7.7942 -2.25 0.0 0
M  V30 12 C 1.299 0.0 0.0 0
M  V30 13 C 7.7942 -5.25 0.0 0
M  V30 14 C 9.0932 -3.0 0.0 0
M  V30 15 O 0.0 -0.75 0.0 0
M  V30 16 C 9.0932 -4.5 0.0 0
M  V30 17 C 7.7942 -6.75 0.0 0
M  V30 18 C 10.3923 -5.25 0.0 0
M  V30 19 C 9.0932 -7.5 0.0 0
M  V30 20 N 10.3923 -6.75 0.0 0
M  V30 21 C 11.8922 -5.25 0.0 0
M  V30 22 C 11.1422 -3.9509 0.0 0
M  V30 23 O 9.0932 -9.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 1 5 8
M  V30 8 2 5 9
M  V30 9 2 6 10
M  V30 10 1 6 11
M  V30 11 1 7 12
M  V30 12 1 10 13
M  V30 13 2 11 14
M  V30 14 1 12 15
M  V30 15 2 13 16
M  V30 16 1 13 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 18 21
M  V30 21 1 18 22
M  V30 22 2 19 23
M  V30 23 1 7 9
M  V30 24 1 14 16
M  V30 25 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001244365192

>  <name>
NA

>  <smiles>
CC1(C)NC(=O)Cc2cc(ccc12)-c1c(F)cc(CO)cc1F

$$$$
ZINC000846363275
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 7.7942 -2.25 0.0 0
M  V30 2 C 6.4952 -3.0 0.0 0
M  V30 3 C 5.1961 -2.25 0.0 0
M  V30 4 C 6.4952 -4.5 0.0 0
M  V30 5 C 3.8971 -3.0 0.0 0
M  V30 6 C 5.1961 -0.75 0.0 0
M  V30 7 C 5.1961 -5.25 0.0 0
M  V30 8 C 3.8971 -4.5 0.0 0
M  V30 9 N 3.8971 0.0 0.0 0
M  V30 10 C 6.4952 0.0 0.0 0
M  V30 11 C 2.598 -0.75 0.0 0
M  V30 12 O 7.7942 -0.75 0.0 0
M  V30 13 C 6.4952 1.5 0.0 0
M  V30 14 O 2.598 -2.25 0.0 0
M  V30 15 C 1.299 0.0 0.0 0
M  V30 16 O 2.049 1.299 0.0 0
M  V30 17 C 0.0 -0.75 0.0 0
M  V30 18 C 0.549 1.299 0.0 0
M  V30 19 C -1.299 0.0 0.0 0
M  V30 20 C 0.0 -2.25 0.0 0
M  V30 21 C -2.598 -0.75 0.0 0
M  V30 22 C -1.299 -3.0 0.0 0
M  V30 23 C -2.598 -2.25 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 2 4 7
M  V30 7 2 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 10 13
M  V30 13 2 11 14
M  V30 14 1 11 15
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 15 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 19 21
M  V30 21 2 20 22
M  V30 22 2 21 23
M  V30 23 1 7 8
M  V30 24 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000846363275

>  <name>
NA

>  <smiles>
CC(O)C(NC(=O)C(C)(O)c1ccccc1)c1ccccc1F

$$$$
ZINC000374002246
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 0.5948 1.1797 0.0 0
M  V30 2 C -0.1305 0.4914 0.0 0
M  V30 3 C 0.1643 2.0823 0.0 0
M  V30 4 N -1.0093 0.9686 0.0 0
M  V30 5 C 0.0 -0.5 0.0 0
M  V30 6 C -0.8271 1.9518 0.0 0
M  V30 7 N 0.866 0.0 0.0 0
M  V30 8 C -0.2588 -1.4659 0.0 0
M  V30 9 C -0.9659 -0.2411 0.0 0
M  V30 10 C -1.5154 2.6772 0.0 0
M  V30 11 C 1.732 -0.5 0.0 0
M  V30 12 C -1.2247 -1.2071 0.0 0
M  V30 13 O 1.732 -1.5 0.0 0
M  V30 14 C 2.598 0.0 0.0 0
M  V30 15 C 3.4641 -0.5 0.0 0 CFG=2
M  V30 16 N 3.3893 -1.4972 0.0 0
M  V30 17 C 4.2903 0.0633 0.0 0
M  V30 18 C 4.1224 -2.1773 0.0 0
M  V30 19 C 5.2459 -0.2314 0.0 0
M  V30 20 O 3.8276 -3.1329 0.0 0
M  V30 21 C 5.1112 -2.0283 0.0 0
M  V30 22 C 5.6112 -1.1623 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 2 2 4
M  V30 4 1 2 5
M  V30 5 2 3 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 8 12
M  V30 12 2 11 13
M  V30 13 1 11 14
M  V30 14 1 15 14 CFG=1
M  V30 15 1 15 16
M  V30 16 1 15 17
M  V30 17 1 16 18
M  V30 18 1 17 19
M  V30 19 2 18 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 4 6
M  V30 23 1 9 12
M  V30 24 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(1 15)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ID>
ZINC000374002246

>  <name>
NA

>  <smiles>
Cc1csc(n1)C1(CCC1)NC(=O)CC1CCCCC(=O)N1

$$$$
ZINC000536919910
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 5.1961 -0.5 0.0 0
M  V30 2 C 4.3301 0.0 0.0 0
M  V30 3 C 4.3301 1.0 0.0 0
M  V30 4 C 3.4641 -0.4999 0.0 0
M  V30 5 O 5.1961 1.5 0.0 0
M  V30 6 N 3.4641 1.5 0.0 0
M  V30 7 C 2.598 0.0 0.0 0
M  V30 8 C 2.598 1.0 0.0 0
M  V30 9 C 1.732 -0.5 0.0 0
M  V30 10 O 1.732 -1.5 0.0 0
M  V30 11 N 0.866 0.0 0.0 0
M  V30 12 C 0.0 -0.5 0.0 0
M  V30 13 C -0.9135 -0.0932 0.0 0
M  V30 14 C -0.1045 -1.4945 0.0 0
M  V30 15 N -1.5826 -0.8364 0.0 0
M  V30 16 C -1.1214 0.8848 0.0 0
M  V30 17 N -1.0826 -1.7024 0.0 0
M  V30 18 C -0.3783 1.554 0.0 0
M  V30 19 C -2.0725 1.1939 0.0 0
M  V30 20 C -1.4894 -2.6159 0.0 0
M  V30 21 C -0.5862 2.5321 0.0 0
M  V30 22 C -2.2804 2.172 0.0 0
M  V30 23 C -1.5372 2.8411 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 2 4
M  V30 4 2 3 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 2 12 14
M  V30 14 2 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 2 19 22
M  V30 22 2 21 23
M  V30 23 2 7 8
M  V30 24 1 15 17
M  V30 25 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC000536919910

>  <name>
NA

>  <smiles>
Cn1cc(NC(=O)c2c[nH]c(=O)c(Br)c2)c(n1)-c1ccccc1

$$$$
ZINC001212753485
Actelion Java MolfileCreator 2.0

  0  0  0  0  0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 1.732 -0.5 0.0 0
M  V30 2 N 0.866 0.0 0.0 0
M  V30 3 C 0.0 -0.5 0.0 0
M  V30 4 C -0.866 0.0 0.0 0
M  V30 5 C 0.0 -1.4999 0.0 0
M  V30 6 N -1.732 -0.4999 0.0 0
M  V30 7 N -0.866 1.0 0.0 0
M  V30 8 O 0.866 -2.0 0.0 0
M  V30 9 N -0.866 -1.9999 0.0 0
M  V30 10 C -1.732 -1.4999 0.0 0
M  V30 11 C -1.732 1.5 0.0 0
M  V30 12 N -2.598 -1.9999 0.0 0
M  V30 13 C -1.732 2.5 0.0 0
M  V30 14 C -2.598 1.0 0.0 0
M  V30 15 C -3.4641 -1.4999 0.0 0
M  V30 16 C -2.598 -2.9999 0.0 0
M  V30 17 C -2.598 3.0 0.0 0
M  V30 18 C -3.4641 1.5 0.0 0
M  V30 19 C -3.4641 2.5 0.0 0
M  V30 20 C -2.598 4.0 0.0 0
M  V30 21 C -4.3301 1.0 0.0 0
M  V30 22 O -3.4641 4.5 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 4 7
M  V30 7 2 5 8
M  V30 8 1 5 9
M  V30 9 1 6 10
M  V30 10 1 7 11
M  V30 11 1 10 12
M  V30 12 2 11 13
M  V30 13 1 11 14
M  V30 14 1 12 15
M  V30 15 1 12 16
M  V30 16 1 13 17
M  V30 17 2 14 18
M  V30 18 2 17 19
M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 20 22
M  V30 22 2 9 10
M  V30 23 1 18 19
M  V30 END BOND
M  V30 END CTAB
M  END
>  <ID>
ZINC001212753485

>  <name>
NA

>  <smiles>
CN(C)c1nc(=O)c(N=O)c(Nc2cc(C)cc(CO)c2)[nH]1

$$$$
