formaldehyde
  DSViewer          3D                             0

  2  1  0  0  0  0  0  0  0  0999 V2000
   -0.1166   -0.0031   -0.0003 O   0  0  0  0  0  0  0  0  0  1
    1.1196    0.0019   -0.0010 C   0  0  0  0  0  0  0  0  0  2
  1  2  2  0  0  0
M  END
> <CAS>
000050-00-0

> <A -  PBT Profiler>
1

> <B - DSL>
DSL 0

> <C - LogHAF>
-6.22

> <C - LogHAF III>
-4.69

> <D - PBT Index>
-1.303

> <A - PBT profiler>
non PBT

> <B_DSL>
non PBT

> <C - Log HAF_Log HAF III>
non PBT

> <D_PBT Index>
non PBT

> <Consensus>
non PBT

$$$$
benzo a pyrene
  DSViewer          3D                             0

 20 24  0  0  0  0  0  0  0  0999 V2000
   -3.4859   -0.7101    1.7982 C   0  0  0  0  0  0  0  0  0  1
   -3.9577   -0.2258    3.0129 C   0  0  0  0  0  0  0  0  0  2
   -3.4776    0.9786    3.5148 C   0  0  0  0  0  0  0  0  0  3
   -2.5259    1.6987    2.8024 C   0  0  0  0  0  0  0  0  0  4
   -2.0542    1.2143    1.5879 C   0  0  0  0  0  0  0  0  0  5
   -3.9494    1.4628    4.7294 C   0  0  0  0  0  0  0  0  0  6
   -4.9013    0.7425    5.4420 C   0  0  0  0  0  0  0  0  0  7
   -5.3817   -0.4618    4.9403 C   0  0  0  0  0  0  0  0  0  8
   -4.9099   -0.9460    3.7258 C   0  0  0  0  0  0  0  0  0  9
   -5.3901   -2.1502    3.2242 C   0  0  0  0  0  0  0  0  0 10
   -4.9183   -2.6345    2.0097 C   0  0  0  0  0  0  0  0  0 11
   -3.9666   -1.9147    1.2969 C   0  0  0  0  0  0  0  0  0 12
   -3.4956   -2.3997    0.0828 C   0  0  0  0  0  0  0  0  0 13
   -2.5440   -1.6800   -0.6299 C   0  0  0  0  0  0  0  0  0 14
   -2.0627   -0.4750   -0.1290 C   0  0  0  0  0  0  0  0  0 15
   -1.1107    0.2434   -0.8436 C   0  0  0  0  0  0  0  0  0 16
   -0.6401   -0.2426   -2.0581 C   0  0  0  0  0  0  0  0  0 17
   -1.1215   -1.4472   -2.5584 C   0  0  0  0  0  0  0  0  0 18
   -2.0734   -2.1659   -1.8443 C   0  0  0  0  0  0  0  0  0 19
   -2.5339    0.0101    1.0855 C   0  0  0  0  0  0  0  0  0 20
 20 15  4  0  0  0
 20  5  4  0  0  0
  1 20  4  0  0  0
 19 18  4  0  0  0
 14 19  4  0  0  0
 17 18  4  0  0  0
 16 17  4  0  0  0
 15 16  4  0  0  0
 14 15  4  0  0  0
 13 14  4  0  0  0
 12 13  4  0  0  0
 12 11  4  0  0  0
  1 12  4  0  0  0
 10 11  4  0  0  0
  9 10  4  0  0  0
  9  8  4  0  0  0
  2  9  4  0  0  0
  7  8  4  0  0  0
  6  7  4  0  0  0
  3  6  4  0  0  0
  4  5  4  0  0  0
  3  4  4  0  0  0
  2  3  4  0  0  0
  1  2  4  0  0  0
M  END
> <CAS>
000050-32-8

> <A -  PBT Profiler>
3

> <B - DSL>
DSL I

> <C - LogHAF>
-2.61

> <C - LogHAF III>
-1.12

> <D - PBT Index>
3.705

> <A - PBT profiler>
PBT

> <B_DSL>
PBT

> <C - Log HAF_Log HAF III>
PBT

> <D_PBT Index>
PBT

> <Consensus>
PBT

$$$$
o,p-DDD
  DSViewer          3D                             0

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.3228    1.2528    2.8530 Cl  0  0  0  0  0  0  0  0  0  1
    0.2320    2.4239    2.0974 C   0  0  0  0  0  0  0  0  0  2
    1.1226    3.9187    1.7870 Cl  0  0  0  0  0  0  0  0  0  3
   -0.3744    1.8698    0.7698 C   0  0  0  0  0  0  0  0  0  4
   -1.3012    0.6807    1.0253 C   0  0  0  0  0  0  0  0  0  5
   -1.7302   -0.1241   -0.0275 C   0  0  0  0  0  0  0  0  0  6
   -2.5871   -1.1923    0.2107 C   0  0  0  0  0  0  0  0  0  7
   -3.0257   -1.4569    1.5029 C   0  0  0  0  0  0  0  0  0  8
   -4.0895   -2.7855    1.8010 Cl  0  0  0  0  0  0  0  0  0  9
   -2.6103   -0.6497    2.5549 C   0  0  0  0  0  0  0  0  0 10
   -1.7536    0.4183    2.3145 C   0  0  0  0  0  0  0  0  0 11
    0.6989    1.6453   -0.3208 C   0  0  0  0  0  0  0  0  0 12
    0.9133    2.6879   -1.2175 C   0  0  0  0  0  0  0  0  0 13
    1.8619    2.5831   -2.2271 C   0  0  0  0  0  0  0  0  0 14
    2.6143    1.4235   -2.3486 C   0  0  0  0  0  0  0  0  0 15
    2.4142    0.3783   -1.4563 C   0  0  0  0  0  0  0  0  0 16
    1.4655    0.4781   -0.4443 C   0  0  0  0  0  0  0  0  0 17
    1.2976   -0.8720    0.6357 Cl  0  0  0  0  0  0  0  0  0 18
 17 18  1  0  0  0
 17 12  4  0  0  0
 16 17  4  0  0  0
 15 16  4  0  0  0
 14 15  4  0  0  0
 13 14  4  0  0  0
 12 13  4  0  0  0
  4 12  1  0  0  0
 11  5  4  0  0  0
 10 11  4  0  0  0
  8 10  4  0  0  0
  8  9  1  0  0  0
  7  8  4  0  0  0
  6  7  4  0  0  0
  5  6  4  0  0  0
  4  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  1  2  1  0  0  0
M  END
> <CAS>
000053-19-0

> <A -  PBT Profiler>
3

> <B - DSL>
DSL I

> <C - LogHAF>
-2.65

> <C - LogHAF III>
-1.23

> <D - PBT Index>
3.583

> <A - PBT profiler>
PBT

> <B_DSL>
PBT

> <C - Log HAF_Log HAF III>
PBT

> <D_PBT Index>
PBT

> <Consensus>
PBT

$$$$
4-chloro 3-methylphenol
  DSViewer          3D                             0

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.5483   -0.2599   -0.3059 O   0  0  0  0  0  0  0  0  0  1
    1.4045    0.4397    0.0629 C   0  0  0  0  0  0  0  0  0  2
    1.4967    1.5008    0.9567 C   0  0  0  0  0  0  0  0  0  3
    0.3530    2.2002    1.3254 C   0  0  0  0  0  0  0  0  0  4
   -0.8824    1.8384    0.8002 C   0  0  0  0  0  0  0  0  0  5
   -0.9743    0.7773   -0.0936 C   0  0  0  0  0  0  0  0  0  6
   -2.3079    0.3870   -0.6603 C   0  0  0  0  0  0  0  0  0  7
   -2.3037    2.7075    1.2583 Cl  0  0  0  0  0  0  0  0  0  8
    0.1691    0.0778   -0.4623 C   0  0  0  0  0  0  0  0  0  9
  9  6  4  0  0  0
  2  9  4  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  5  6  4  0  0  0
  4  5  4  0  0  0
  3  4  4  0  0  0
  2  3  4  0  0  0
  1  2  1  0  0  0
M  END
> <CAS>
000059-50-7

> <A -  PBT Profiler>
2

> <B - DSL>
DSL I

> <C - LogHAF>
-3.25

> <C - LogHAF III>
-3.29

> <D - PBT Index>
-0.104

> <A - PBT profiler>
non PBT

> <B_DSL>
PBT

> <C - Log HAF_Log HAF III>
non PBT

> <D_PBT Index>
non PBT

> <Consensus>
non PBT*

$$$$
thiourea
  DSViewer          3D                             0

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.4181   -0.0364    0.0016 N   0  0  0  0  0  0  0  0  0  1
    0.0216   -0.0371    0.0003 C   0  0  0  0  0  0  0  0  0  2
   -0.7615    1.3176   -0.0007 S   0  0  0  0  0  0  0  0  0  3
   -0.6760   -1.2469   -0.0001 N   0  0  0  0  0  0  0  0  0  4
  2  4  1  0  0  0
  2  3  2  0  0  0
  1  2  1  0  0  0
M  END
> <CAS>
000062-56-6

> <A -  PBT Profiler>
1

> <B - DSL>
DSL 0

> <C - LogHAF>
-7.98

> <C - LogHAF III>
-5.99

> <D - PBT Index>
-2.822

> <A - PBT profiler>
non PBT

> <B_DSL>
non PBT

> <C - Log HAF_Log HAF III>
non PBT

> <D_PBT Index>
non PBT

> <Consensus>
non PBT

$$$$
ethene
  DSViewer          3D                             0

  2  1  0  0  0  0  0  0  0  0999 V2000
   -0.1642    0.0005    0.0005 C   0  0  0  0  0  0  0  0  0  1
    1.1671   -0.0022   -0.0009 C   0  0  0  0  0  0  0  0  0  2
  1  2  2  0  0  0
M  END
> <CAS>
000074-85-1

> <A -  PBT Profiler>
1

> <B - DSL>
DSL 0

> <C - LogHAF>
-11.76

> <C - LogHAF III>
-8.1

> <D - PBT Index>
-1.229

> <A - PBT profiler>
non PBT

> <B_DSL>
non PBT

> <C - Log HAF_Log HAF III>
non PBT

> <D_PBT Index>
non PBT

> <Consensus>
non PBT

$$$$
bromoethane
  DSViewer          3D                             0

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.6697    0.0002   -0.2202 Br  0  0  0  0  0  0  0  0  0  1
    1.2691   -0.0018   -0.1510 C   0  0  0  0  0  0  0  0  0  2
    1.7311    0.0010    1.3180 C   0  0  0  0  0  0  0  0  0  3
  2  3  1  0  0  0
  1  2  1  0  0  0
M  END
> <CAS>
000074-96-4

> <A -  PBT Profiler>
1

> <B - DSL>
DSL 0

> <C - LogHAF>
-8.96

> <C - LogHAF III>
-8.07

> <D - PBT Index>
-0.824

> <A - PBT profiler>
non PBT

> <B_DSL>
non PBT

> <C - Log HAF_Log HAF III>
non PBT

> <D_PBT Index>
non PBT

> <Consensus>
non PBT

$$$$
2-bromopropane
  DSViewer          3D                             0

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.7860   -0.1539   -0.0901 Br  0  0  0  0  0  0  0  0  0  1
    1.1532   -0.1048   -0.0602 C   0  0  0  0  0  0  0  0  0  2
    1.6447   -0.0939    1.3992 C   0  0  0  0  0  0  0  0  0  3
    1.6464    1.1651   -0.7783 C   0  0  0  0  0  0  0  0  0  4
  2  4  1  0  0  0
  2  3  1  0  0  0
  1  2  1  0  0  0
M  END
> <CAS>
000075-26-3

> <A -  PBT Profiler>
1

> <B - DSL>
DSL 0

> <C - LogHAF>
-8.96

> <C - LogHAF III>
-7.59

> <D - PBT Index>
-0.834

> <A - PBT profiler>
non PBT

> <B_DSL>
non PBT

> <C - Log HAF_Log HAF III>
non PBT

> <D_PBT Index>
non PBT

> <Consensus>
non PBT

$$$$
1,1 dichloroethane
  DSViewer          3D                             0

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.0851   -0.1221   -0.1033 C   0  0  0  0  0  0  0  0  0  1
    1.6817   -0.1240   -0.1268 Cl  0  0  0  0  0  0  0  0  0  2
   -0.6735    1.5440   -0.1225 Cl  0  0  0  0  0  0  0  0  0  3
   -0.5831   -0.8285    1.1713 C   0  0  0  0  0  0  0  0  0  4
  1  4  1  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
M  END
> <CAS>
000075-34-3

> <A -  PBT Profiler>
1

> <B - DSL>
DSL 0

> <C - LogHAF>
-8.64

> <C - LogHAF III>
-7.77

> <D - PBT Index>
-0.215

> <A - PBT profiler>
non PBT

> <B_DSL>
non PBT

> <C - Log HAF_Log HAF III>
non PBT

> <D_PBT Index>
non PBT

> <Consensus>
non PBT

$$$$
1,1 dichloroethene
  DSViewer          3D                             0

  4  3  0  0  0  0  0  0  0  0999 V2000
    0.1004   -0.0002   -0.0005 C   0  0  0  0  0  0  0  0  0  1
    1.4317   -0.0009   -0.0002 C   0  0  0  0  0  0  0  0  0  2
   -0.7631    1.4972   -0.0017 Cl  0  0  0  0  0  0  0  0  0  3
   -0.7646   -1.4967    0.0003 Cl  0  0  0  0  0  0  0  0  0  4
  1  4  1  0  0  0
  1  3  1  0  0  0
  1  2  2  0  0  0
M  END
> <CAS>
000075-35-4

> <A -  PBT Profiler>
1

> <B - DSL>
DSL 0

> <C - LogHAF>
-9.88

> <C - LogHAF III>
-7.49

> <D - PBT Index>
0.015

> <A - PBT profiler>
non PBT

> <B_DSL>
non PBT

> <C - Log HAF_Log HAF III>
non PBT

> <D_PBT Index>
non PBT

> <Consensus>
non PBT

$$$$
heptachlor
  DSViewer          3D                             0

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.9392    4.9274   -1.7881 Cl  0  0  0  0  0  0  0  0  0  1
   -0.7909    3.9755   -0.3085 C   0  0  0  0  0  0  0  0  0  2
   -1.9045    4.0219    0.6556 C   0  0  0  0  0  0  0  0  0  3
   -1.8757    2.9194    1.4037 C   0  0  0  0  0  0  0  0  0  4
   -0.7662    1.9679    0.9723 C   0  0  0  0  0  0  0  0  0  5
   -0.3481    2.4932   -0.4812 C   0  0  0  0  0  0  0  0  0  6
   -1.0331    1.3818   -1.4094 C   0  0  1  0  0  0  0  0  0  7
   -1.1407    1.8254   -3.1145 Cl  0  0  0  0  0  0  0  0  0  8
   -0.1635    0.1803   -1.1783 C   0  0  0  0  0  0  0  0  0  9
   -0.3946   -0.2829    0.0303 C   0  0  0  0  0  0  0  0  0 10
    0.3527   -1.6597    0.7558 Cl  0  0  0  0  0  0  0  0  0 11
   -1.4310    0.5645    0.6384 C   0  0  1  0  0  0  0  0  0 12
   -2.2534   -0.1819    2.0102 Cl  0  0  0  0  0  0  0  0  0 13
   -2.2970    0.8724   -0.6824 C   0  0  0  0  0  0  0  0  0 14
   -3.6846    1.9898   -0.6031 Cl  0  0  0  0  0  0  0  0  0 15
   -2.9016   -0.6167   -1.4130 Cl  0  0  0  0  0  0  0  0  0 16
    0.9555   -0.4833   -2.3130 Cl  0  0  0  0  0  0  0  0  0 17
  9 17  1  0  0  0
 14 16  1  0  0  0
 14 15  1  0  0  0
 14  7  1  0  0  0
 12 14  1  0  0  0
 12 13  1  0  0  0
 12  5  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
  9 10  2  0  0  0
  7  9  1  0  0  0
  7  8  1  0  0  0
  6  7  1  0  0  0
  6  2  1  0  0  0
  5  6  1  0  0  0
  4  5  1  0  0  0
  3  4  2  0  0  0
  2  3  1  0  0  0
  1  2  1  0  0  0
M  END
> <CAS>
000076-44-8

> <A -  PBT Profiler>
3

> <B - DSL>
POP

> <C - LogHAF>
-3.73

> <C - LogHAF III>
-0.47

> <D - PBT Index>
2.689

> <A - PBT profiler>
PBT

> <B_DSL>
PBT

> <C - Log HAF_Log HAF III>
PBT

> <D_PBT Index>
PBT

> <Consensus>
PBT

$$$$
1,2,3,4,5,5-hexachloro-1,3cyclopentadiene
  DSViewer          3D                             0

 11 11  0  0  0  0  0  0  0  0999 V2000
   -0.0920    2.7255    0.2972 C   0  0  0  0  0  0  0  0  0  1
   -0.7011    2.1081    1.3040 C   0  0  0  0  0  0  0  0  0  2
   -0.7877    0.6958    1.0163 C   0  0  0  0  0  0  0  0  0  3
   -0.2314    0.4529   -0.1658 C   0  0  0  0  0  0  0  0  0  4
   -0.1181   -1.1075   -0.8981 Cl  0  0  0  0  0  0  0  0  0  5
   -1.5024   -0.4919    2.0470 Cl  0  0  0  0  0  0  0  0  0  6
   -1.2959    2.8751    2.7330 Cl  0  0  0  0  0  0  0  0  0  7
    0.2892    1.7341   -0.7812 C   0  0  0  0  0  0  0  0  0  8
    2.0303    1.6867   -1.0726 Cl  0  0  0  0  0  0  0  0  0  9
   -0.4703    2.0970   -2.3337 Cl  0  0  0  0  0  0  0  0  0 10
    0.2211    4.4230    0.2286 Cl  0  0  0  0  0  0  0  0  0 11
  1 11  1  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
  8  4  1  0  0  0
  1  8  1  0  0  0
  2  7  1  0  0  0
  3  6  1  0  0  0
  4  5  1  0  0  0
  3  4  2  0  0  0
  2  3  1  0  0  0
  1  2  2  0  0  0
M  END
> <CAS>
000077-47-4

> <A -  PBT Profiler>
3

> <B - DSL>
DSL I

> <C - LogHAF>
-3.44

> <C - LogHAF III>
-1.78

> <D - PBT Index>
2.766

> <A - PBT profiler>
PBT

> <B_DSL>
PBT

> <C - Log HAF_Log HAF III>
PBT

> <D_PBT Index>
PBT

> <Consensus>
PBT

$$$$
triethylester phosphoric acid
  DSViewer          3D                             0

 11 10  0  0  0  0  0  0  0  0999 V2000
   -0.0729    0.1217   -0.7190 O   0  0  0  0  0  0  0  0  0  1
    0.9317    0.2046    0.2244 P   0  0  0  0  0  0  0  0  0  2
    1.6014   -1.2210    0.3373 O   0  0  0  0  0  0  0  0  0  3
    2.7179   -1.2791    1.2701 C   0  0  0  0  0  0  0  0  0  4
    2.2528   -1.2717    2.7417 C   0  0  0  0  0  0  0  0  0  5
    0.3482    0.6661    1.6089 O   0  0  0  0  0  0  0  0  0  6
   -0.1597    2.0234    1.5833 C   0  0  0  0  0  0  0  0  0  7
   -1.4854    2.1388    0.7999 C   0  0  0  0  0  0  0  0  0  8
    1.9799    1.2476   -0.2573 O   0  0  0  0  0  0  0  0  0  9
    2.4277    0.9235   -1.5828 C   0  0  0  0  0  0  0  0  0 10
    3.4636    1.9644   -2.0407 C   0  0  0  0  0  0  0  0  0 11
 10 11  1  0  0  0
  9 10  1  0  0  0
  2  9  1  0  0  0
  7  8  1  0  0  0
  6  7  1  0  0  0
  2  6  1  0  0  0
  4  5  1  0  0  0
  3  4  1  0  0  0
  2  3  1  0  0  0
  1  2  2  0  0  0
M  END
> <CAS>
000078-40-0

> <A -  PBT Profiler>
1

> <B - DSL>
DSL 0

> <C - LogHAF>
-7.64

> <C - LogHAF III>
-7.55

> <D - PBT Index>
-1.554

> <A - PBT profiler>
non PBT

> <B_DSL>
non PBT

> <C - Log HAF_Log HAF III>
non PBT

> <D_PBT Index>
non PBT

> <Consensus>
non PBT

$$$$
2-propenamide
  DSViewer          3D                             0

  5  4  0  0  0  0  0  0  0  0999 V2000
    1.8998   -0.4700    1.0319 O   0  0  0  0  0  0  0  0  0  1
    1.1678   -0.0076    0.1496 C   0  0  0  0  0  0  0  0  0  2
    1.6679    0.1937   -1.1384 N   0  0  0  0  0  0  0  0  0  3
   -0.2224    0.3287    0.4544 C   0  0  0  0  0  0  0  0  0  4
   -1.0096    0.8266   -0.4966 C   0  0  0  0  0  0  0  0  0  5
  4  5  2  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  1  2  2  0  0  0
M  END
> <CAS>
000079-06-1

> <A -  PBT Profiler>
1

> <B - DSL>
DSL 0

> <C - LogHAF>
-5

> <C - LogHAF III>
-2.37

> <D - PBT Index>
-1.971

> <A - PBT profiler>
non PBT

> <B_DSL>
non PBT

> <C - Log HAF_Log HAF III>
non PBT

> <D_PBT Index>
non PBT

> <Consensus>
non PBT

$$$$
Camphene
  DSViewer          3D                             0

 10 11  0  0  0  0  0  0  0  0999 V2000
   -0.2784    0.7543    0.6903 C   0  0  0  0  0  0  0  0  0  1
    0.6414    1.9056    0.8866 C   0  0  0  0  0  0  0  0  0  2
    0.8589    2.3544   -0.6085 C   0  0  0  0  0  0  0  0  0  3
   -0.6365    2.3285   -0.9536 C   0  0  0  0  0  0  0  0  0  4
   -1.2140    3.2859    0.1328 C   0  0  0  0  0  0  0  0  0  5
   -0.2747    3.0494    1.3655 C   0  0  0  0  0  0  0  0  0  6
   -0.9582    0.8480   -0.6004 C   0  0  0  0  0  0  0  0  0  7
   -2.4624    0.5016   -0.5471 C   0  0  0  0  0  0  0  0  0  8
   -0.2653   -0.1018   -1.6009 C   0  0  0  0  0  0  0  0  0  9
   -0.6373   -0.0881    1.6587 C   0  0  0  0  0  0  0  0  0 10
  1 10  2  0  0  0
  7  9  1  0  0  0
  7  8  1  0  0  0
  7  4  1  0  0  0
  1  7  1  0  0  0
  6  5  1  0  0  0
  2  6  1  0  0  0
  4  5  1  0  0  0
  3  4  1  0  0  0
  2  3  1  0  0  0
  1  2  1  0  0  0
M  END
> <CAS>
000079-92-5

> <A -  PBT Profiler>
1

> <B - DSL>
DSL 0

> <C - LogHAF>
-9.62

> <C - LogHAF III>
-5.45

> <D - PBT Index>
-1.318

> <A - PBT profiler>
non PBT

> <B_DSL>
non PBT

> <C - Log HAF_Log HAF III>
non PBT

> <D_PBT Index>
non PBT

> <Consensus>
non PBT

$$$$
tetrabromobisphenol A
  DSViewer          3D                             0

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.0511    0.2528   -2.5194 O   0  0  0  0  0  0  0  0  0  1
    1.1916    0.4893   -1.4522 C   0  0  0  0  0  0  0  0  0  2
    0.9478    1.7895   -1.0281 C   0  0  0  0  0  0  0  0  0  3
    0.0839    2.0234    0.0350 C   0  0  0  0  0  0  0  0  0  4
   -0.5338    0.9638    0.6965 C   0  0  0  0  0  0  0  0  0  5
   -0.2869   -0.3338    0.2588 C   0  0  0  0  0  0  0  0  0  6
   -1.5301    1.1599    1.8670 C   0  0  0  0  0  0  0  0  0  7
   -1.3029    2.2956    2.8993 C   0  0  0  0  0  0  0  0  0  8
   -0.3137    3.2685    2.7755 C   0  0  0  0  0  0  0  0  0  9
   -0.1733    4.2656    3.7335 C   0  0  0  0  0  0  0  0  0 10
   -1.0233    4.2986    4.8317 C   0  0  0  0  0  0  0  0  0 11
   -0.8862    5.2958    5.7912 O   0  0  0  0  0  0  0  0  0 12
   -2.0107    3.3319    4.9675 C   0  0  0  0  0  0  0  0  0 13
   -3.1771    3.3685    6.4670 Br  0  0  0  0  0  0  0  0  0 14
    1.1785    5.5869    3.5398 Br  0  0  0  0  0  0  0  0  0 15
   -2.1471    2.3385    4.0046 C   0  0  0  0  0  0  0  0  0 16
   -1.7809   -0.1713    2.6064 C   0  0  0  0  0  0  0  0  0 17
   -2.8869    1.4920    1.2224 C   0  0  0  0  0  0  0  0  0 18
    1.7933    3.2479   -1.9045 Br  0  0  0  0  0  0  0  0  0 19
    0.5708   -0.5733   -0.8087 C   0  0  0  0  0  0  0  0  0 20
    0.8894   -2.3538   -1.3914 Br  0  0  0  0  0  0  0  0  0 21
 20 21  1  0  0  0
 20  6  4  0  0  0
  2 20  4  0  0  0
  3 19  1  0  0  0
  7 18  1  0  0  0
  7 17  1  0  0  0
 16 13  4  0  0  0
  8 16  4  0  0  0
 10 15  1  0  0  0
 13 14  1  0  0  0
 11 13  4  0  0  0
 11 12  1  0  0  0
 10 11  4  0  0  0
  9 10  4  0  0  0
  8  9  4  0  0  0
  7  8  1  0  0  0
  5  7  1  0  0  0
  5  6  4  0  0  0
  4  5  4  0  0  0
  3  4  4  0  0  0
  2  3  4  0  0  0
  1  2  1  0  0  0
M  END
> <CAS>
000079-94-7

> <A -  PBT Profiler>
3

> <B - DSL>
DSL I

> <C - LogHAF>
-2.96

> <C - LogHAF III>
1.43

> <D - PBT Index>
2.678

> <A - PBT profiler>
PBT

> <B_DSL>
PBT

> <C - Log HAF_Log HAF III>
PBT

> <D_PBT Index>
PBT

> <Consensus>
PBT

$$$$
Bisphenol A
  DSViewer          3D                             0

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.5355    0.5217   -2.0773 O   0  0  0  0  0  0  0  0  0  1
    1.5816    0.6368   -1.0714 C   0  0  0  0  0  0  0  0  0  2
    1.9697    0.9663    0.2217 C   0  0  0  0  0  0  0  0  0  3
    1.0155    1.0797    1.2271 C   0  0  0  0  0  0  0  0  0  4
   -0.3290    0.8676    0.9408 C   0  0  0  0  0  0  0  0  0  5
   -0.7141    0.5357   -0.3550 C   0  0  0  0  0  0  0  0  0  6
   -1.3700    0.9822    2.0366 C   0  0  0  0  0  0  0  0  0  7
   -1.1970    2.3016    2.7608 C   0  0  0  0  0  0  0  0  0  8
   -1.3227    3.4997    2.0658 C   0  0  0  0  0  0  0  0  0  9
   -1.1725    4.7116    2.7313 C   0  0  0  0  0  0  0  0  0 10
   -0.8999    4.7276    4.0940 C   0  0  0  0  0  0  0  0  0 11
   -0.7513    5.9393    4.7606 O   0  0  0  0  0  0  0  0  0 12
   -0.7769    3.5313    4.7919 C   0  0  0  0  0  0  0  0  0 13
   -0.9256    2.3208    4.1262 C   0  0  0  0  0  0  0  0  0 14
   -1.1717   -0.1672    3.0461 C   0  0  0  0  0  0  0  0  0 15
   -2.7689    0.9121    1.3897 C   0  0  0  0  0  0  0  0  0 16
    0.2388    0.4208   -1.3598 C   0  0  0  0  0  0  0  0  0 17
 17  6  4  0  0  0
  2 17  4  0  0  0
  7 16  1  0  0  0
  7 15  1  0  0  0
 14 13  4  0  0  0
  8 14  4  0  0  0
 11 13  4  0  0  0
 11 12  1  0  0  0
 10 11  4  0  0  0
  9 10  4  0  0  0
  8  9  4  0  0  0
  7  8  1  0  0  0
  5  7  1  0  0  0
  5  6  4  0  0  0
  4  5  4  0  0  0
  3  4  4  0  0  0
  2  3  4  0  0  0
  1  2  1  0  0  0
M  END
> <CAS>
000080-05-7

> <A -  PBT Profiler>
2

> <B - DSL>
DSL 0

> <C - LogHAF>
-3.03

> <C - LogHAF III>
-2.84

> <D - PBT Index>
0.122

> <A - PBT profiler>
non PBT

> <B_DSL>
non PBT

> <C - Log HAF_Log HAF III>
non PBT

> <D_PBT Index>
non PBT

> <Consensus>
non PBT

$$$$
9H-Carbazole
  DSViewer          3D                             0

 13 15  0  0  0  0  0  0  0  0999 V2000
    0.4905   -0.7036    2.1016 N   0  0  0  0  0  0  0  0  0  1
    1.2868    0.3628    1.9792 C   0  0  0  0  0  0  0  0  0  2
    1.3634    0.7644    0.6638 C   0  0  0  0  0  0  0  0  0  3
    0.5705   -0.1061   -0.0480 C   0  0  0  0  0  0  0  0  0  4
    0.2842   -0.1691   -1.4012 C   0  0  0  0  0  0  0  0  0  5
   -0.5720   -1.1923   -1.8068 C   0  0  0  0  0  0  0  0  0  6
   -1.1036   -2.0978   -0.8815 C   0  0  0  0  0  0  0  0  0  7
   -0.7982   -2.0114    0.4776 C   0  0  0  0  0  0  0  0  0  8
    2.1200    1.8464    0.2470 C   0  0  0  0  0  0  0  0  0  9
    2.8204    2.5321    1.2389 C   0  0  0  0  0  0  0  0  0 10
    2.7504    2.1335    2.5786 C   0  0  0  0  0  0  0  0  0 11
    1.9795    1.0383    2.9715 C   0  0  0  0  0  0  0  0  0 12
    0.0534   -0.9915    0.8717 C   0  0  0  0  0  0  0  0  0 13
 13  8  4  0  0  0
 13  4  4  0  0  0
  1 13  4  0  0  0
 12 11  4  0  0  0
  2 12  4  0  0  0
 10 11  4  0  0  0
  9 10  4  0  0  0
  3  9  4  0  0  0
  7  8  4  0  0  0
  6  7  4  0  0  0
  5  6  4  0  0  0
  4  5  4  0  0  0
  3  4  4  0  0  0
  2  3  4  0  0  0
  1  2  4  0  0  0
M  END
> <CAS>
000086-74-8

> <A -  PBT Profiler>
1

> <B - DSL>
DSL I

> <C - LogHAF>
-3.98

> <C - LogHAF III>
-3.54

> <D - PBT Index>
1.244

> <A - PBT profiler>
non PBT

> <B_DSL>
PBT

> <C - Log HAF_Log HAF III>
non PBT

> <D_PBT Index>
non PBT

> <Consensus>
non PBT*

$$$$
pentachlorophenol
  DSViewer          3D                             0

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.1436   -0.1259    1.1704 O   0  0  0  0  0  0  0  0  0  1
    1.0190    0.5553    0.7187 C   0  0  0  0  0  0  0  0  0  2
    0.8767    1.9129    0.9811 C   0  0  0  0  0  0  0  0  0  3
   -0.2479    2.5940    0.5295 C   0  0  0  0  0  0  0  0  0  4
   -1.2301    1.9173   -0.1845 C   0  0  0  0  0  0  0  0  0  5
   -1.0878    0.5597   -0.4469 C   0  0  0  0  0  0  0  0  0  6
   -2.3083   -0.2810   -1.3340 Cl  0  0  0  0  0  0  0  0  0  7
   -2.6273    2.7635   -0.7456 Cl  0  0  0  0  0  0  0  0  0  8
   -0.4247    4.2809    0.8554 Cl  0  0  0  0  0  0  0  0  0  9
    2.0970    2.7537    1.8682 Cl  0  0  0  0  0  0  0  0  0 10
    0.0367   -0.1214    0.0048 C   0  0  0  0  0  0  0  0  0 11
    0.2135   -1.8083   -0.3213 Cl  0  0  0  0  0  0  0  0  0 12
 11 12  1  0  0  0
 11  6  4  0  0  0
  2 11  4  0  0  0
  3 10  1  0  0  0
  4  9  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  5  6  4  0  0  0
  4  5  4  0  0  0
  3  4  4  0  0  0
  2  3  4  0  0  0
  1  2  1  0  0  0
M  END
> <CAS>
000087-86-5

> <A -  PBT Profiler>
2

> <B - DSL>
DSL I

> <C - LogHAF>
-2.78

> <C - LogHAF III>
-1.53

> <D - PBT Index>
2.47

> <A - PBT profiler>
non PBT

> <B_DSL>
PBT

> <C - Log HAF_Log HAF III>
PBT

> <D_PBT Index>
PBT

> <Consensus>
PBT*

$$$$
1,3,5, trichloro-1,3,5 triazine-2,4,6,(1H, 3H, 5H)-trione
  DSViewer          3D                             0

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.0498    2.9669    1.0325 O   0  0  0  0  0  0  0  0  0  1
    0.7842    1.7620    1.0736 C   0  0  0  0  0  0  0  0  0  2
    1.6934    0.7626    1.4953 N   0  0  0  0  0  0  0  0  0  3
    1.0679   -0.3747    1.6318 C   0  0  0  0  0  0  0  0  0  4
   -0.0910   -0.0133    1.9081 O   0  0  0  0  0  0  0  0  0  5
    0.8000   -0.9302    0.4304 N   0  0  0  0  0  0  0  0  0  6
   -0.2711   -0.2550   -0.1755 C   0  0  0  0  0  0  0  0  0  7
   -0.8477   -0.6306   -1.2028 O   0  0  0  0  0  0  0  0  0  8
    1.7014   -2.1081   -0.3167 Cl  0  0  0  0  0  0  0  0  0  9
    3.3298    0.9893    1.6649 Cl  0  0  0  0  0  0  0  0  0 10
   -0.2199    1.2312    0.0772 N   0  0  0  0  0  0  0  0  0 11
   -1.0177    2.2730   -0.9405 Cl  0  0  0  0  0  0  0  0  0 12
 11 12  1  0  0  0
 11  7  1  0  0  0
  2 11  1  0  0  0
  3 10  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  6  7  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  3  4  1  0  0  0
  2  3  1  0  0  0
  1  2  2  0  0  0
M  END
> <CAS>
000087-90-1

> <A -  PBT Profiler>
2

> <B - DSL>
DSL I

> <C - LogHAF>
-2.83

> <C - LogHAF III>
-0.58

> <D - PBT Index>
0.87

> <A - PBT profiler>
non PBT

> <B_DSL>
PBT

> <C - Log HAF_Log HAF III>
PBT

> <D_PBT Index>
non PBT

> <Consensus>
PBT*

$$$$
1,3 benzodioxole, 5 propyl
  DSViewer          3D                             0

 12 13  0  0  0  0  0  0  0  0999 V2000
   -2.5359    3.3531   -1.0856 O   0  0  0  0  0  0  0  0  0  1
   -1.6803    2.4144   -0.6829 C   0  0  0  0  0  0  0  0  0  2
   -1.4326    2.5555    0.6545 C   0  0  0  0  0  0  0  0  0  3
   -2.1241    3.5880    1.1351 O   0  0  0  0  0  0  0  0  0  4
   -0.5732    1.7053    1.3323 C   0  0  0  0  0  0  0  0  0  5
    0.0378    0.6838    0.6016 C   0  0  0  0  0  0  0  0  0  6
   -0.2157    0.5490   -0.7672 C   0  0  0  0  0  0  0  0  0  7
    1.0082   -0.2894    1.2617 C   0  0  0  0  0  0  0  0  0  8
    0.9824   -0.2479    2.8174 C   0  0  0  0  0  0  0  0  0  9
   -0.3115   -0.9002    3.3769 C   0  0  0  0  0  0  0  0  0 10
   -1.0836    1.4138   -1.4328 C   0  0  0  0  0  0  0  0  0 11
   -2.8898    4.1834    0.0531 C   0  0  0  0  0  0  0  0  0 12
 12  4  1  0  0  0
  1 12  1  0  0  0
 11  7  4  0  0  0
  2 11  4  0  0  0
  9 10  1  0  0  0
  8  9  1  0  0  0
  6  8  1  0  0  0
  6  7  4  0  0  0
  5  6  4  0  0  0
  3  5  4  0  0  0
  3  4  1  0  0  0
  2  3  4  0  0  0
  1  2  1  0  0  0
M  END
> <CAS>
000094-58-6

> <A -  PBT Profiler>
2

> <B - DSL>
DSL 0

> <C - LogHAF>
-6.7

> <C - LogHAF III>
-5.13

> <D - PBT Index>
-0.283

> <A - PBT profiler>
non PBT

> <B_DSL>
non PBT

> <C - Log HAF_Log HAF III>
non PBT

> <D_PBT Index>
non PBT

> <Consensus>
non PBT

$$$$
3,4-dichloro-benzeneamine
  DSViewer          3D                             0

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.5733   -0.2611   -0.2938 N   0  0  0  0  0  0  0  0  0  1
    1.4255    0.4398    0.0792 C   0  0  0  0  0  0  0  0  0  2
    1.5110    1.4673    1.0120 C   0  0  0  0  0  0  0  0  0  3
    0.3677    2.1657    1.3837 C   0  0  0  0  0  0  0  0  0  4
   -0.8609    1.8361    0.8223 C   0  0  0  0  0  0  0  0  0  5
   -0.9463    0.8087   -0.1103 C   0  0  0  0  0  0  0  0  0  6
   -2.4734    0.4003   -0.8070 Cl  0  0  0  0  0  0  0  0  0  7
   -2.2822    2.7031    1.2834 Cl  0  0  0  0  0  0  0  0  0  8
    0.1969    0.1103   -0.4822 C   0  0  0  0  0  0  0  0  0  9
  9  6  4  0  0  0
  2  9  4  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  5  6  4  0  0  0
  4  5  4  0  0  0
  3  4  4  0  0  0
  2  3  4  0  0  0
  1  2  1  0  0  0
M  END
> <CAS>
000095-76-1

> <A -  PBT Profiler>
2

> <B - DSL>
DSL I

> <C - LogHAF>
-2.45

> <C - LogHAF III>
-1.33

> <D - PBT Index>
0.263

> <A - PBT profiler>
non PBT

> <B_DSL>
PBT

> <C - Log HAF_Log HAF III>
PBT

> <D_PBT Index>
non PBT

> <Consensus>
PBT*

$$$$
1,3-dichloro-2-propanol
  DSViewer          3D                             0

  6  5  0  0  0  0  0  0  0  0999 V2000
   -0.4419    0.0420   -0.4194 O   0  0  0  0  0  0  0  0  0  1
    0.9286   -0.3559   -0.3320 C   0  0  0  0  0  0  0  0  0  2
    1.2372   -0.8929    1.0933 C   0  0  0  0  0  0  0  0  0  3
    0.9118    0.3157    2.3423 Cl  0  0  0  0  0  0  0  0  0  4
    1.8526    0.8223   -0.7484 C   0  0  0  0  0  0  0  0  0  5
    1.6055    2.2494    0.2660 Cl  0  0  0  0  0  0  0  0  0  6
  5  6  1  0  0  0
  2  5  1  0  0  0
  3  4  1  0  0  0
  2  3  1  0  0  0
  1  2  1  0  0  0
M  END
> <CAS>
000096-23-1

> <A -  PBT Profiler>
1

> <B - DSL>
DSL 0

> <C - LogHAF>
-7.21

> <C - LogHAF III>
-7.04

> <D - PBT Index>
-0.712

> <A - PBT profiler>
non PBT

> <B_DSL>
non PBT

> <C - Log HAF_Log HAF III>
non PBT

> <D_PBT Index>
non PBT

> <Consensus>
non PBT

$$$$
4-nonylphenol
  DSViewer          3D                             0

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.2793   -1.1506   -1.1514 O   0  0  0  0  0  0  0  0  0  1
    1.3180   -0.1697   -0.9391 C   0  0  0  0  0  0  0  0  0  2
    1.5708    1.1446   -1.3159 C   0  0  0  0  0  0  0  0  0  3
    0.6126    2.1273   -1.0975 C   0  0  0  0  0  0  0  0  0  4
   -0.5999    1.7962   -0.5038 C   0  0  0  0  0  0  0  0  0  5
   -0.8531    0.4801   -0.1320 C   0  0  0  0  0  0  0  0  0  6
   -1.6209    2.8748   -0.2449 C   0  0  0  0  0  0  0  0  0  7
   -2.8261    2.3071    0.5457 C   0  0  0  0  0  0  0  0  0  8
   -3.0307    3.1232    1.8499 C   0  0  0  0  0  0  0  0  0  9
   -1.8183    2.9422    2.8012 C   0  0  0  0  0  0  0  0  0 10
   -1.7261    1.4578    3.2630 C   0  0  0  0  0  0  0  0  0 11
   -0.4934    1.1206    4.1822 C   0  0  0  0  0  0  0  0  0 12
    0.8999    1.0278    3.4503 C   0  0  0  0  0  0  0  0  0 13
    1.4877    2.3859    2.9978 C   0  0  0  0  0  0  0  0  0 14
    2.8469    2.1531    2.3138 C   0  0  0  0  0  0  0  0  0 15
    0.1047   -0.5031   -0.3493 C   0  0  0  0  0  0  0  0  0 16
 16  6  4  0  0  0
  2 16  4  0  0  0
 14 15  1  0  0  0
 13 14  1  0  0  0
 12 13  1  0  0  0
 11 12  1  0  0  0
 10 11  1  0  0  0
  9 10  1  0  0  0
  8  9  1  0  0  0
  7  8  1  0  0  0
  5  7  1  0  0  0
  5  6  4  0  0  0
  4  5  4  0  0  0
  3  4  4  0  0  0
  2  3  4  0  0  0
  1  2  1  0  0  0
M  END
> <CAS>
000104-40-5

> <A -  PBT Profiler>
2

> <B - DSL>
DSL 0

> <C - LogHAF>
-3.84

> <C - LogHAF III>
-2.21

> <D - PBT Index>
-0.773

> <A - PBT profiler>
non PBT

> <B_DSL>
non PBT

> <C - Log HAF_Log HAF III>
PBT

> <D_PBT Index>
non PBT

> <Consensus>
non PBT*

$$$$
hexanoic acyd, methylester
  DSViewer          3D                             0

  9  8  0  0  0  0  0  0  0  0999 V2000
    1.8043    0.1473    1.3165 O   0  0  0  0  0  0  0  0  0  1
    2.3826    0.2853    0.2361 C   0  0  0  0  0  0  0  0  0  2
    3.3769   -0.6459   -0.1266 O   0  0  0  0  0  0  0  0  0  3
    3.9797   -0.3184   -1.3886 C   0  0  0  0  0  0  0  0  0  4
    2.0648    1.4754   -0.6679 C   0  0  0  0  0  0  0  0  0  5
    0.9523    2.4564   -0.1401 C   0  0  0  0  0  0  0  0  0  6
   -0.5351    1.9744   -0.3250 C   0  0  0  0  0  0  0  0  0  7
   -0.9548    0.8096    0.5957 C   0  0  0  0  0  0  0  0  0  8
   -2.4324    0.4607    0.3440 C   0  0  0  0  0  0  0  0  0  9
  8  9  1  0  0  0
  7  8  1  0  0  0
  6  7  1  0  0  0
  5  6  1  0  0  0
  2  5  1  0  0  0
  3  4  1  0  0  0
  2  3  1  0  0  0
  1  2  2  0  0  0
M  END
> <CAS>
000106-70-7

> <A -  PBT Profiler>
1

> <B - DSL>
DSL 0

> <C - LogHAF>
-8.14

> <C - LogHAF III>
-7.84

> <D - PBT Index>
-1.488

> <A - PBT profiler>
non PBT

> <B_DSL>
non PBT

> <C - Log HAF_Log HAF III>
non PBT

> <D_PBT Index>
non PBT

> <Consensus>
non PBT

$$$$
1,2 dibromoethane
  DSViewer          3D                             0

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.5800    0.2104   -0.6884 Br  0  0  0  0  0  0  0  0  0  1
    1.2388   -0.3336   -0.2901 C   0  0  0  0  0  0  0  0  0  2
    1.6979    0.3328    1.0197 C   0  0  0  0  0  0  0  0  0  3
    0.5242   -0.2095    2.4658 Br  0  0  0  0  0  0  0  0  0  4
  3  4  1  0  0  0
  2  3  1  0  0  0
  1  2  1  0  0  0
M  END
> <CAS>
000106-93-4

> <A -  PBT Profiler>
1

> <B - DSL>
DSL I

> <C - LogHAF>
-3.59

> <C - LogHAF III>
-3.6

> <D - PBT Index>
-0.179

> <A - PBT profiler>
non PBT

> <B_DSL>
PBT

> <C - Log HAF_Log HAF III>
non PBT

> <D_PBT Index>
non PBT

> <Consensus>
non PBT*

$$$$
3-chloro-1-propene
  DSViewer          3D                             0

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.0403   -0.3727   -0.0014 C   0  0  0  0  0  0  0  0  0  1
    1.2900   -0.3198   -0.0017 C   0  0  0  0  0  0  0  0  0  2
   -0.8434    0.8965   -0.0007 C   0  0  0  0  0  0  0  0  0  3
    0.2473    2.2869   -0.0004 Cl  0  0  0  0  0  0  0  0  0  4
  3  4  1  0  0  0
  1  3  1  0  0  0
  1  2  2  0  0  0
M  END
> <CAS>
000107-05-1

> <A -  PBT Profiler>
1

> <B - DSL>
DSL 0

> <C - LogHAF>
-8.13

> <C - LogHAF III>
-5.34

> <D - PBT Index>
-0.651

> <A - PBT profiler>
non PBT

> <B_DSL>
non PBT

> <C - Log HAF_Log HAF III>
non PBT

> <D_PBT Index>
non PBT

> <Consensus>
non PBT

$$$$
5-methyl-2-hexanone
  DSViewer          3D                             0

  8  7  0  0  0  0  0  0  0  0999 V2000
   -0.0674   -0.8185   -0.0079 O   0  0  0  0  0  0  0  0  0  1
    1.1578   -0.9388   -0.1176 C   0  0  0  0  0  0  0  0  0  2
    2.0913   -0.0901    0.7203 C   0  0  0  0  0  0  0  0  0  3
    1.3728    1.0497    1.5245 C   0  0  0  0  0  0  0  0  0  4
    1.0722    2.3572    0.6967 C   0  0  0  0  0  0  0  0  0  5
    0.0563    2.1842   -0.4543 C   0  0  0  0  0  0  0  0  0  6
    2.3870    2.9469    0.1510 C   0  0  0  0  0  0  0  0  0  7
    1.7240   -1.9869   -1.0301 C   0  0  0  0  0  0  0  0  0  8
  2  8  1  0  0  0
  5  7  1  0  0  0
  5  6  1  0  0  0
  4  5  1  0  0  0
  3  4  1  0  0  0
  2  3  1  0  0  0
  1  2  2  0  0  0
M  END
> <CAS>
000110-12-3

> <A -  PBT Profiler>
1

> <B - DSL>
DSL 0

> <C - LogHAF>
-8.27

> <C - LogHAF III>
-7.44

> <D - PBT Index>
-1.479

> <A - PBT profiler>
non PBT

> <B_DSL>
non PBT

> <C - Log HAF_Log HAF III>
non PBT

> <D_PBT Index>
non PBT

> <Consensus>
non PBT

$$$$
cyclohexane
  DSViewer          3D                             0

  6  6  0  0  0  0  0  0  0  0999 V2000
   -0.2056    1.2566   -1.1860 C   0  0  0  0  0  0  0  0  0  1
   -0.1366    2.7653   -0.9645 C   0  0  0  0  0  0  0  0  0  2
    1.1815    3.0888   -0.1918 C   0  0  0  0  0  0  0  0  0  3
    1.5432    1.9424    0.8054 C   0  0  0  0  0  0  0  0  0  4
    0.2450    1.3502    1.3477 C   0  0  0  0  0  0  0  0  0  5
   -0.4586    0.5684    0.1931 C   0  0  0  0  0  0  0  0  0  6
  6  5  1  0  0  0
  1  6  1  0  0  0
  4  5  1  0  0  0
  3  4  1  0  0  0
  2  3  1  0  0  0
  1  2  1  0  0  0
M  END
> <CAS>
000110-82-7

> <A -  PBT Profiler>
1

> <B - DSL>
DSL 0

> <C - LogHAF>
-9.84

> <C - LogHAF III>
-6.26

> <D - PBT Index>
-1.444

> <A - PBT profiler>
non PBT

> <B_DSL>
non PBT

> <C - Log HAF_Log HAF III>
non PBT

> <D_PBT Index>
non PBT

> <Consensus>
non PBT

$$$$
1-propene
  DSViewer          3D                             0

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.0208   -0.1491    0.0013 C   0  0  0  0  0  0  0  0  0  1
    1.3103   -0.1272   -0.0026 C   0  0  0  0  0  0  0  0  0  2
   -0.7928    1.1387   -0.0001 C   0  0  0  0  0  0  0  0  0  3
  1  3  1  0  0  0
  1  2  2  0  0  0
M  END
> <CAS>
000115-07-1

> <A -  PBT Profiler>
1

> <B - DSL>
DSL 0

> <C - LogHAF>
-11.88

> <C - LogHAF III>
-7.68

> <D - PBT Index>
-1.256

> <A - PBT profiler>
non PBT

> <B_DSL>
non PBT

> <C - Log HAF_Log HAF III>
non PBT

> <D_PBT Index>
non PBT

> <Consensus>
non PBT

$$$$
hexachlorobenzene *
  DSViewer          3D                             0

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.9932    0.5546    0.6998 C   0  0  0  0  0  0  0  0  0  1
    0.8650    1.9126    0.9677 C   0  0  0  0  0  0  0  0  0  2
   -0.2566    2.6052    0.5262 C   0  0  0  0  0  0  0  0  0  3
   -1.2498    1.9398   -0.1831 C   0  0  0  0  0  0  0  0  0  4
   -1.1215    0.5818   -0.4510 C   0  0  0  0  0  0  0  0  0  5
   -2.3556   -0.2449   -1.3324 Cl  0  0  0  0  0  0  0  0  0  6
   -2.6433    2.8004   -0.7316 Cl  0  0  0  0  0  0  0  0  0  7
   -0.4159    4.2925    0.8591 Cl  0  0  0  0  0  0  0  0  0  8
    2.0991    2.7393    1.8490 Cl  0  0  0  0  0  0  0  0  0  9
    0.0000   -0.1108   -0.0096 C   0  0  0  0  0  0  0  0  0 10
    0.1594   -1.7981   -0.3425 Cl  0  0  0  0  0  0  0  0  0 11
    2.3867   -0.3060    1.2482 Cl  0  0  0  0  0  0  0  0  0 12
  1 12  1  0  0  0
 10 11  1  0  0  0
 10  5  4  0  0  0
  1 10  4  0  0  0
  2  9  1  0  0  0
  3  8  1  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  4  5  4  0  0  0
  3  4  4  0  0  0
  2  3  4  0  0  0
  1  2  4  0  0  0
M  END
> <CAS>
000118-74-1

> <A -  PBT Profiler>
3

> <B - DSL>
POP

> <C - LogHAF>
-1.46

> <C - LogHAF III>
0.02

> <D - PBT Index>
3.629

> <A - PBT profiler>
PBT

> <B_DSL>
PBT

> <C - Log HAF_Log HAF III>
PBT

> <D_PBT Index>
PBT

> <Consensus>
PBT

$$$$
decane
  DSViewer          3D                             0

 10  9  0  0  0  0  0  0  0  0999 V2000
    2.1603   -0.5181    2.7706 C   0  0  0  0  0  0  0  0  0  1
    1.1960   -1.7185    2.5831 C   0  0  0  0  0  0  0  0  0  2
   -0.2836   -1.2721    2.7217 C   0  0  0  0  0  0  0  0  0  3
   -0.6789   -0.3000    1.5808 C   0  0  0  0  0  0  0  0  0  4
   -0.5761   -1.0148    0.2134 C   0  0  0  0  0  0  0  0  0  5
   -0.9590   -0.0382   -0.9158 C   0  0  0  0  0  0  0  0  0  6
    0.0088    1.1610   -0.9176 C   0  0  0  0  0  0  0  0  0  7
   -0.3797    2.1320   -2.0464 C   0  0  0  0  0  0  0  0  0  8
    0.5870    3.3298   -2.0468 C   0  0  0  0  0  0  0  0  0  9
    2.0240    0.0563    4.1983 C   0  0  0  0  0  0  0  0  0 10
  1 10  1  0  0  0
  8  9  1  0  0  0
  7  8  1  0  0  0
  6  7  1  0  0  0
  5  6  1  0  0  0
  4  5  1  0  0  0
  3  4  1  0  0  0
  2  3  1  0  0  0
  1  2  1  0  0  0
M  END
> <CAS>
000124-18-5

> <A -  PBT Profiler>
1

> <B - DSL>
DSL 0

> <C - LogHAF>
-9.92

> <C - LogHAF III>
-4.8

> <D - PBT Index>
-1.464

> <A - PBT profiler>
non PBT

> <B_DSL>
non PBT

> <C - Log HAF_Log HAF III>
non PBT

> <D_PBT Index>
non PBT

> <Consensus>
non PBT

$$$$
pyrene
  DSViewer          3D                             0

 16 19  0  0  0  0  0  0  0  0999 V2000
    0.1227    0.2184    0.1114 C   0  0  0  0  0  0  0  0  0  1
   -0.2106    1.5159   -0.2597 C   0  0  0  0  0  0  0  0  0  2
   -0.0147    1.9359   -1.5706 C   0  0  0  0  0  0  0  0  0  3
    0.5143    1.0585   -2.5101 C   0  0  0  0  0  0  0  0  0  4
    0.8476   -0.2391   -2.1390 C   0  0  0  0  0  0  0  0  0  5
   -0.3479    3.2334   -1.9417 C   0  0  0  0  0  0  0  0  0  6
   -0.8769    4.1106   -1.0018 C   0  0  0  0  0  0  0  0  0  7
   -1.0729    3.6909    0.3091 C   0  0  0  0  0  0  0  0  0  8
   -0.7397    2.3934    0.6802 C   0  0  0  0  0  0  0  0  0  9
   -0.9355    1.9734    1.9907 C   0  0  0  0  0  0  0  0  0 10
   -0.6022    0.6758    2.3618 C   0  0  0  0  0  0  0  0  0 11
    0.6518   -0.6591   -0.8285 C   0  0  0  0  0  0  0  0  0 12
    0.9850   -1.9565   -0.4574 C   0  0  0  0  0  0  0  0  0 13
    0.7890   -2.3763    0.8534 C   0  0  0  0  0  0  0  0  0 14
    0.2600   -1.4990    1.7933 C   0  0  0  0  0  0  0  0  0 15
   -0.0733   -0.2016    1.4223 C   0  0  0  0  0  0  0  0  0 16
 16 15  4  0  0  0
 16 11  4  0  0  0
  1 16  4  0  0  0
 14 15  4  0  0  0
 13 14  4  0  0  0
 12 13  4  0  0  0
 12  5  4  0  0  0
  1 12  4  0  0  0
 10 11  4  0  0  0
  9 10  4  0  0  0
  9  8  4  0  0  0
  2  9  4  0  0  0
  7  8  4  0  0  0
  6  7  4  0  0  0
  3  6  4  0  0  0
  4  5  4  0  0  0
  3  4  4  0  0  0
  2  3  4  0  0  0
  1  2  4  0  0  0
M  END
> <CAS>
000129-00-0

> <A -  PBT Profiler>
3

> <B - DSL>
DSL I

> <C - LogHAF>
-0.2

> <C - LogHAF III>
1.16

> <D - PBT Index>
2.635

> <A - PBT profiler>
PBT

> <B_DSL>
PBT

> <C - Log HAF_Log HAF III>
PBT

> <D_PBT Index>
PBT

> <Consensus>
PBT

$$$$
Dibenzothiphene
  DSViewer          3D                             0

 13 15  0  0  0  0  0  0  0  0999 V2000
    0.2041   -0.7562    2.3657 S   0  0  0  0  0  0  0  0  0  1
    1.2465    0.4701    2.1267 C   0  0  0  0  0  0  0  0  0  2
    1.3823    0.6984    0.7667 C   0  0  0  0  0  0  0  0  0  3
    0.5995   -0.1740    0.0065 C   0  0  0  0  0  0  0  0  0  4
    0.5014   -0.2168   -1.3758 C   0  0  0  0  0  0  0  0  0  5
   -0.3449   -1.1735   -1.9351 C   0  0  0  0  0  0  0  0  0  6
   -1.0686   -2.0578   -1.1299 C   0  0  0  0  0  0  0  0  0  7
   -0.9657   -2.0098    0.2594 C   0  0  0  0  0  0  0  0  0  8
    2.2187    1.6970    0.2916 C   0  0  0  0  0  0  0  0  0  9
    2.9145    2.4588    1.2297 C   0  0  0  0  0  0  0  0  0 10
    2.7731    2.2234    2.6004 C   0  0  0  0  0  0  0  0  0 11
    1.9306    1.2180    3.0718 C   0  0  0  0  0  0  0  0  0 12
   -0.1205   -1.0534    0.7993 C   0  0  0  0  0  0  0  0  0 13
 13  8  4  0  0  0
 13  4  4  0  0  0
  1 13  4  0  0  0
 12 11  4  0  0  0
  2 12  4  0  0  0
 10 11  4  0  0  0
  9 10  4  0  0  0
  3  9  4  0  0  0
  7  8  4  0  0  0
  6  7  4  0  0  0
  5  6  4  0  0  0
  4  5  4  0  0  0
  3  4  4  0  0  0
  2  3  4  0  0  0
  1  2  4  0  0  0
M  END
> <CAS>
000132-65-0

> <A -  PBT Profiler>
1

> <B - DSL>
DSL I

> <C - LogHAF>
-3.91

> <C - LogHAF III>
-3.24

> <D - PBT Index>
1.774

> <A - PBT profiler>
non PBT

> <B_DSL>
PBT

> <C - Log HAF_Log HAF III>
non PBT

> <D_PBT Index>
PBT

> <Consensus>
PBT*

$$$$
benzofuran
  DSViewer          3D                             0

  9 10  0  0  0  0  0  0  0  0999 V2000
   -0.9747    1.0758    0.0002 C   0  0  0  0  0  0  0  0  0  1
   -0.1438    2.2014    0.0006 C   0  0  0  0  0  0  0  0  0  2
    1.2444    2.0689    0.0008 C   0  0  0  0  0  0  0  0  0  3
    1.7465    0.7777    0.0005 C   0  0  0  0  0  0  0  0  0  4
    3.0525    0.3342    0.0006 C   0  0  0  0  0  0  0  0  0  5
    2.9211   -1.0573    0.0002 C   0  0  0  0  0  0  0  0  0  6
    1.6615   -1.3982   -0.0001 O   0  0  0  0  0  0  0  0  0  7
    0.9389   -0.3271    0.0001 C   0  0  0  0  0  0  0  0  0  8
   -0.4425   -0.2138   -0.0001 C   0  0  0  0  0  0  0  0  0  9
  9  1  4  0  0  0
  8  9  4  0  0  0
  8  4  4  0  0  0
  7  8  4  0  0  0
  6  7  4  0  0  0
  5  6  4  0  0  0
  4  5  4  0  0  0
  3  4  4  0  0  0
  2  3  4  0  0  0
  1  2  4  0  0  0
M  END
> <CAS>
000271-89-6

> <A -  PBT Profiler>
1

> <B - DSL>
DSL 0

> <C - LogHAF>
-7.59

> <C - LogHAF III>
-6.13

> <D - PBT Index>
0.59

> <A - PBT profiler>
non PBT

> <B_DSL>
non PBT

> <C - Log HAF_Log HAF III>
non PBT

> <D_PBT Index>
non PBT

> <Consensus>
non PBT

$$$$
1,3,5-tribromobenzene
  DSViewer          3D                             0

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.9574    0.2685    0.5579 C   0  0  0  0  0  0  0  0  0  1
    1.2568    1.6207    0.6802 C   0  0  0  0  0  0  0  0  0  2
    0.3527    2.5762    0.2301 C   0  0  0  0  0  0  0  0  0  3
   -0.8508    2.1797   -0.3421 C   0  0  0  0  0  0  0  0  0  4
   -1.1501    0.8274   -0.4642 C   0  0  0  0  0  0  0  0  0  5
   -2.7952    0.2852   -1.2464 Br  0  0  0  0  0  0  0  0  0  6
    0.7619    4.4247    0.3971 Br  0  0  0  0  0  0  0  0  0  7
   -0.2460   -0.1282   -0.0142 C   0  0  0  0  0  0  0  0  0  8
    2.1933   -1.0378    1.1731 Br  0  0  0  0  0  0  0  0  0  9
  1  9  1  0  0  0
  8  5  4  0  0  0
  1  8  4  0  0  0
  3  7  1  0  0  0
  5  6  1  0  0  0
  4  5  4  0  0  0
  3  4  4  0  0  0
  2  3  4  0  0  0
  1  2  4  0  0  0
M  END
> <CAS>
000626-39-1

> <A -  PBT Profiler>
2

> <B - DSL>
DSL I

> <C - LogHAF>
-4.35

> <C - LogHAF III>
-3.71

> <D - PBT Index>
1.752

> <A - PBT profiler>
non PBT

> <B_DSL>
PBT

> <C - Log HAF_Log HAF III>
non PBT

> <D_PBT Index>
PBT

> <Consensus>
PBT*

$$$$
trifluralin
  DSViewer          3D                             0

 23 23  0  0  0  0  0  0  0  0999 V2000
    0.8238    0.9684    4.6739 C   0  0  0  0  0  0  0  0  0  1
    1.0700    0.6548    3.1889 C   0  0  0  0  0  0  0  0  0  2
    0.3486   -0.6619    2.8153 C   0  0  0  0  0  0  0  0  0  3
    0.5368   -1.0526    1.3859 N   0  0  0  0  0  0  0  0  0  4
   -0.0550   -2.3126    0.8669 C   0  0  0  0  0  0  0  0  0  5
   -1.2240   -2.8883    1.7262 C   0  0  0  0  0  0  0  0  0  6
   -2.5306   -2.0651    1.5527 C   0  0  0  0  0  0  0  0  0  7
    1.4308   -0.3170    0.5157 C   0  0  0  0  0  0  0  0  0  8
    0.9341    0.7139   -0.3023 C   0  0  0  0  0  0  0  0  0  9
    1.7930    1.4110   -1.1438 C   0  0  0  0  0  0  0  0  0 10
    3.1414    1.1040   -1.1925 C   0  0  0  0  0  0  0  0  0 11
    3.6384    0.0885   -0.3944 C   0  0  0  0  0  0  0  0  0 12
    2.8037   -0.6265    0.4564 C   0  0  0  0  0  0  0  0  0 13
    3.4452   -1.6547    1.2289 N   0  0  0  0  0  0  0  0  0 14
    2.6478   -2.1788    1.9003 O   0  0  0  0  0  0  0  0  0 15
    4.5744   -1.6042    0.9057 O   0  0  0  0  0  0  0  0  0 16
    4.0554    1.8627   -2.1019 C   0  0  0  0  0  0  0  0  0 17
    4.4520    1.0187   -3.1176 F   0  0  0  0  0  0  0  0  0 18
    5.1963    2.2145   -1.4115 F   0  0  0  0  0  0  0  0  0 19
    3.4167    2.9656   -2.6299 F   0  0  0  0  0  0  0  0  0 20
   -0.4377    1.1214   -0.3378 N   0  0  0  0  0  0  0  0  0 21
   -0.4714    1.9813   -1.1386 O   0  0  0  0  0  0  0  0  0 22
   -1.0368    0.4747    0.4266 O   0  0  0  0  0  0  0  0  0 23
 21 23  2  0  0  0
 21 22  2  0  0  0
  9 21  1  0  0  0
 17 20  1  0  0  0
 17 19  1  0  0  0
 17 18  1  0  0  0
 11 17  1  0  0  0
 14 16  2  0  0  0
 14 15  2  0  0  0
 13 14  1  0  0  0
 13  8  4  0  0  0
 12 13  4  0  0  0
 11 12  4  0  0  0
 10 11  4  0  0  0
  9 10  4  0  0  0
  8  9  4  0  0  0
  4  8  1  0  0  0
  6  7  1  0  0  0
  5  6  1  0  0  0
  4  5  1  0  0  0
  3  4  1  0  0  0
  2  3  1  0  0  0
  1  2  1  0  0  0
M  END
> <CAS>
001582-09-8

> <A -  PBT Profiler>
3

> <B - DSL>
DSL I

> <C - LogHAF>
-1.08

> <C - LogHAF III>
0.16

> <D - PBT Index>
2.297

> <A - PBT profiler>
PBT

> <B_DSL>
PBT

> <C - Log HAF_Log HAF III>
PBT

> <D_PBT Index>
PBT

> <Consensus>
PBT

$$$$
atrazine *
  DSViewer          3D                             0

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.6373    1.4376   -0.8934 N   0  0  0  0  0  0  0  0  0  1
    0.1689    2.4430   -0.1667 C   0  0  0  0  0  0  0  0  0  2
   -0.5122    2.1979    0.9442 N   0  0  0  0  0  0  0  0  0  3
   -0.7301    0.9475    1.3351 C   0  0  0  0  0  0  0  0  0  4
   -0.2602   -0.0555    0.6051 N   0  0  0  0  0  0  0  0  0  5
   -1.4549    0.6560    2.5186 N   0  0  0  0  0  0  0  0  0  6
   -1.9950    1.6773    3.4020 C   0  0  0  0  0  0  0  0  0  7
   -3.0137    2.5727    2.6611 C   0  0  0  0  0  0  0  0  0  8
   -0.8633    2.5492    3.9894 C   0  0  0  0  0  0  0  0  0  9
    0.3905    3.7583   -0.5704 N   0  0  0  0  0  0  0  0  0 10
   -0.1229    4.8424    0.2152 C   0  0  0  0  0  0  0  0  0 11
    0.2276    6.1779   -0.4639 C   0  0  0  0  0  0  0  0  0 12
    0.4222    0.1878   -0.5063 C   0  0  0  0  0  0  0  0  0 13
    1.0312   -1.1250   -1.4501 Cl  0  0  0  0  0  0  0  0  0 14
 13 14  1  0  0  0
 13  5  4  0  0  0
  1 13  4  0  0  0
 11 12  1  0  0  0
 10 11  1  0  0  0
  2 10  1  0  0  0
  7  9  1  0  0  0
  7  8  1  0  0  0
  6  7  1  0  0  0
  4  6  1  0  0  0
  4  5  4  0  0  0
  3  4  4  0  0  0
  2  3  4  0  0  0
  1  2  4  0  0  0
M  END
> <CAS>
001912-24-9

> <A -  PBT Profiler>
2

> <B - DSL>
DSL I

> <C - LogHAF>
-0.29

> <C - LogHAF III>
-0.02

> <D - PBT Index>
-0.396

> <A - PBT profiler>
non PBT

> <B_DSL>
PBT

> <C - Log HAF_Log HAF III>
PBT

> <D_PBT Index>
non PBT

> <Consensus>
PBT*

$$$$
decachlorobiphenyl  (PCB 209)
  DSViewer          3D                             0

 22 23  0  0  0  0  0  0  0  0999 V2000
   -3.3443    3.6311    3.2113 Cl  0  0  0  0  0  0  0  0  0  1
   -2.2324    2.6260    2.3530 C   0  0  0  0  0  0  0  0  0  2
   -0.9099    3.0175    2.2058 C   0  0  0  0  0  0  0  0  0  3
   -0.3775    4.5172    2.8766 Cl  0  0  0  0  0  0  0  0  0  4
   -0.0119    2.2108    1.5172 C   0  0  0  0  0  0  0  0  0  5
    1.6194    2.7730    1.3412 Cl  0  0  0  0  0  0  0  0  0  6
   -0.4310    0.9976    0.9625 C   0  0  0  0  0  0  0  0  0  7
   -1.7666    0.6130    1.1152 C   0  0  0  0  0  0  0  0  0  8
   -2.3545   -0.8926    0.4859 Cl  0  0  0  0  0  0  0  0  0  9
   -2.6579    1.4236    1.8078 C   0  0  0  0  0  0  0  0  0 10
   -4.3018    0.9288    1.9951 Cl  0  0  0  0  0  0  0  0  0 11
    0.5428    0.1172    0.2108 C   0  0  0  0  0  0  0  0  0 12
    0.2715   -0.2869   -1.1000 C   0  0  0  0  0  0  0  0  0 13
   -1.1635    0.2258   -1.9285 Cl  0  0  0  0  0  0  0  0  0 14
    1.1693   -1.0943   -1.7879 C   0  0  0  0  0  0  0  0  0 15
    0.8228   -1.5764   -3.4096 Cl  0  0  0  0  0  0  0  0  0 16
    2.3442   -1.5112   -1.1797 C   0  0  0  0  0  0  0  0  0 17
    3.4561   -2.5163   -2.0380 Cl  0  0  0  0  0  0  0  0  0 18
    2.6221   -1.1171    0.1209 C   0  0  0  0  0  0  0  0  0 19
    4.0802   -1.6399    0.8846 Cl  0  0  0  0  0  0  0  0  0 20
    1.7307   -0.3072    0.8142 C   0  0  0  0  0  0  0  0  0 21
    2.1223    0.1235    2.4480 Cl  0  0  0  0  0  0  0  0  0 22
 21 22  1  0  0  0
 21 12  4  0  0  0
 19 21  4  0  0  0
 19 20  1  0  0  0
 17 19  4  0  0  0
 17 18  1  0  0  0
 15 17  4  0  0  0
 15 16  1  0  0  0
 13 15  4  0  0  0
 13 14  1  0  0  0
 12 13  4  0  0  0
  7 12  1  0  0  0
 10 11  1  0  0  0
 10  2  4  0  0  0
  8 10  4  0  0  0
  8  9  1  0  0  0
  7  8  4  0  0  0
  5  7  4  0  0  0
  5  6  1  0  0  0
  3  5  4  0  0  0
  3  4  1  0  0  0
  2  3  4  0  0  0
  1  2  1  0  0  0
M  END
> <CAS>
002051-24-3

> <A -  PBT Profiler>
3

> <B - DSL>
POP

> <C - LogHAF>
-2.7

> <C - LogHAF III>
-1.78

> <D - PBT Index>
7.479

> <A - PBT profiler>
PBT

> <B_DSL>
PBT

> <C - Log HAF_Log HAF III>
PBT

> <D_PBT Index>
PBT

> <Consensus>
PBT

$$$$
Mirex
  DSViewer          3D                             0

 22 26  0  0  0  0  0  0  0  0999 V2000
    0.7440    2.0184   -1.1430 Cl  0  0  0  0  0  0  0  0  0  1
    1.7301    1.3231    0.1458 C   0  0  0  0  0  0  0  0  0  2
    2.1551    2.5631    1.3284 Cl  0  0  0  0  0  0  0  0  0  3
    2.9517    0.5304   -0.3770 C   0  0  2  0  0  0  0  0  0  4
    4.2011    1.3937   -1.2806 Cl  0  0  0  0  0  0  0  0  0  5
    2.3207   -0.7718   -1.0376 C   0  0  1  0  0  0  0  0  0  6
    2.5308   -1.4683   -2.6462 Cl  0  0  0  0  0  0  0  0  0  7
    3.3009   -1.4703   -0.1354 C   0  0  2  0  0  0  0  0  0  8
    4.8435   -1.6266   -0.9818 Cl  0  0  0  0  0  0  0  0  0  9
    2.6939   -2.7225    0.4871 C   0  0  0  0  0  0  0  0  0 10
    3.6800   -3.4178    1.7759 Cl  0  0  0  0  0  0  0  0  0 11
    2.2689   -3.9625   -0.6956 Cl  0  0  0  0  0  0  0  0  0 12
    1.4723   -1.9298    1.0099 C   0  0  2  0  0  0  0  0  0 13
    0.2229   -2.7932    1.9135 Cl  0  0  0  0  0  0  0  0  0 14
    1.0168   -1.0470   -0.2325 C   0  0  2  0  0  0  0  0  0 15
   -0.5575   -0.8771   -1.0132 Cl  0  0  0  0  0  0  0  0  0 16
    1.1231    0.0709    0.7683 C   0  0  2  0  0  0  0  0  0 17
   -0.4195    0.2272    1.6147 Cl  0  0  0  0  0  0  0  0  0 18
    2.1033   -0.6276    1.6705 C   0  0  1  0  0  0  0  0  0 19
    1.8932    0.0689    3.2791 Cl  0  0  0  0  0  0  0  0  0 20
    3.4072   -0.3524    0.8654 C   0  0  2  0  0  0  0  0  0 21
    4.9815   -0.5223    1.6461 Cl  0  0  0  0  0  0  0  0  0 22
 21 22  1  0  0  0
 21  8  1  0  0  0
 21  4  1  0  0  0
 19 21  1  0  0  0
 19 20  1  0  0  0
 19 13  1  0  0  0
 17 19  1  0  0  0
 17 18  1  0  0  0
 17  2  1  0  0  0
 15 17  1  0  0  0
 15 16  1  0  0  0
 15  6  1  0  0  0
 13 15  1  0  0  0
 13 14  1  0  0  0
 10 13  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
  6  8  1  0  0  0
  6  7  1  0  0  0
  4  6  1  0  0  0
  4  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  1  2  1  0  0  0
M  END
> <CAS>
002385-85-5

> <A -  PBT Profiler>
3

> <B - DSL>
POP

> <C - LogHAF>
-2.13

> <C - LogHAF III>
-1.1

> <D - PBT Index>
6.148

> <A - PBT profiler>
PBT

> <B_DSL>
PBT

> <C - Log HAF_Log HAF III>
PBT

> <D_PBT Index>
PBT

> <Consensus>
PBT

$$$$
octachlorodibenzo-p-dioxin
  DSViewer          3D                             0

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.5775    3.0179    2.7414 Cl  0  0  0  0  0  0  0  0  0  1
   -0.5614    2.2144    1.5989 C   0  0  0  0  0  0  0  0  0  2
   -0.2222    2.8443    0.4070 C   0  0  0  0  0  0  0  0  0  3
   -0.8168    4.4303    0.0688 Cl  0  0  0  0  0  0  0  0  0  4
    0.5954    2.1979   -0.5128 C   0  0  0  0  0  0  0  0  0  5
    1.0176    2.9790   -1.9938 Cl  0  0  0  0  0  0  0  0  0  6
    1.0734    0.9218   -0.2404 C   0  0  0  0  0  0  0  0  0  7
    1.8714    0.2902   -1.1387 O   0  0  0  0  0  0  0  0  0  8
    2.3362   -0.9575   -0.8741 C   0  0  0  0  0  0  0  0  0  9
    3.1508   -1.6049   -1.7951 C   0  0  0  0  0  0  0  0  0 10
    3.5713   -0.8212   -3.2753 Cl  0  0  0  0  0  0  0  0  0 11
    3.6262   -2.8827   -1.5242 C   0  0  0  0  0  0  0  0  0 12
    4.6385   -3.6880   -2.6688 Cl  0  0  0  0  0  0  0  0  0 13
    3.2870   -3.5126   -0.3322 C   0  0  0  0  0  0  0  0  0 14
    3.8778   -5.1005    0.0039 Cl  0  0  0  0  0  0  0  0  0 15
    2.4722   -2.8648    0.5890 C   0  0  0  0  0  0  0  0  0 16
    2.0498   -3.6460    2.0700 Cl  0  0  0  0  0  0  0  0  0 17
    1.9969   -1.5875    0.3181 C   0  0  0  0  0  0  0  0  0 18
    1.2008   -0.9549    1.2174 O   0  0  0  0  0  0  0  0  0 19
    0.7341    0.2918    0.9518 C   0  0  0  0  0  0  0  0  0 20
   -0.0831    0.9379    1.8713 C   0  0  0  0  0  0  0  0  0 21
   -0.5038    0.1542    3.3514 Cl  0  0  0  0  0  0  0  0  0 22
 21 22  1  0  0  0
 21  2  4  0  0  0
 20 21  4  0  0  0
 20  7  4  0  0  0
 19 20  1  0  0  0
 18 19  1  0  0  0
 18  9  4  0  0  0
 16 18  4  0  0  0
 16 17  1  0  0  0
 14 16  4  0  0  0
 14 15  1  0  0  0
 12 14  4  0  0  0
 12 13  1  0  0  0
 10 12  4  0  0  0
 10 11  1  0  0  0
  9 10  4  0  0  0
  8  9  1  0  0  0
  7  8  1  0  0  0
  5  7  4  0  0  0
  5  6  1  0  0  0
  3  5  4  0  0  0
  3  4  1  0  0  0
  2  3  4  0  0  0
  1  2  1  0  0  0
M  END
> <CAS>
003268-87-9

> <A -  PBT Profiler>
3

> <B - DSL>
POP

> <C - LogHAF>
-2.95

> <C - LogHAF III>
-1.78

> <D - PBT Index>
6.178

> <A - PBT profiler>
PBT

> <B_DSL>
PBT

> <C - Log HAF_Log HAF III>
PBT

> <D_PBT Index>
PBT

> <Consensus>
PBT

$$$$
PCB 6
  DSViewer          3D                             0

 14 15  0  0  0  0  0  0  0  0999 V2000
   -1.1959    5.5480    1.6752 Cl  0  0  0  0  0  0  0  0  0  1
   -0.6522    3.9284    1.9314 C   0  0  0  0  0  0  0  0  0  2
   -0.5058    3.4410    3.2242 C   0  0  0  0  0  0  0  0  0  3
   -0.0682    2.1375    3.4229 C   0  0  0  0  0  0  0  0  0  4
    0.2211    1.3273    2.3310 C   0  0  0  0  0  0  0  0  0  5
    0.0775    1.8065    1.0329 C   0  0  0  0  0  0  0  0  0  6
   -0.3613    3.1132    0.8436 C   0  0  0  0  0  0  0  0  0  7
    0.3739    0.9805   -0.1849 C   0  0  0  0  0  0  0  0  0  8
    0.1811    1.6034   -1.4149 C   0  0  0  0  0  0  0  0  0  9
    0.4243    0.9339   -2.6071 C   0  0  0  0  0  0  0  0  0 10
    0.8678   -0.3804   -2.5793 C   0  0  0  0  0  0  0  0  0 11
    1.0638   -1.0125   -1.3586 C   0  0  0  0  0  0  0  0  0 12
    0.8221   -0.3478   -0.1602 C   0  0  0  0  0  0  0  0  0 13
    1.1026   -1.2402    1.3038 Cl  0  0  0  0  0  0  0  0  0 14
 13 14  1  0  0  0
 13  8  4  0  0  0
 12 13  4  0  0  0
 11 12  4  0  0  0
 10 11  4  0  0  0
  9 10  4  0  0  0
  8  9  4  0  0  0
  6  8  1  0  0  0
  7  2  4  0  0  0
  6  7  4  0  0  0
  5  6  4  0  0  0
  4  5  4  0  0  0
  3  4  4  0  0  0
  2  3  4  0  0  0
  1  2  1  0  0  0
M  END
> <CAS>
025569-80-6

> <A -  PBT Profiler>
3

> <B - DSL>
POP

> <C - LogHAF>
-4.02

> <C - LogHAF III>
-2.61

> <D - PBT Index>
2.294

> <A - PBT profiler>
PBT

> <B_DSL>
PBT

> <C - Log HAF_Log HAF III>
PBT

> <D_PBT Index>
PBT

> <Consensus>
PBT

$$$$
PCB 66
  DSViewer          3D                             0

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.2316    4.7771    2.5127 Cl  0  0  0  0  0  0  0  0  0  1
   -2.2230    3.5389    1.8534 C   0  0  0  0  0  0  0  0  0  2
   -1.1530    3.0476    2.5869 C   0  0  0  0  0  0  0  0  0  3
   -0.3492    2.0522    2.0466 C   0  0  0  0  0  0  0  0  0  4
   -0.5959    1.5345    0.7780 C   0  0  0  0  0  0  0  0  0  5
   -1.6785    2.0337    0.0399 C   0  0  0  0  0  0  0  0  0  6
   -2.0954    1.4757   -1.5517 Cl  0  0  0  0  0  0  0  0  0  7
   -2.4799    3.0310    0.5870 C   0  0  0  0  0  0  0  0  0  8
    0.3417    0.4626    0.3033 C   0  0  0  0  0  0  0  0  0  9
    0.2273   -0.1530   -0.9391 C   0  0  0  0  0  0  0  0  0 10
    1.1248   -1.1410   -1.3272 C   0  0  0  0  0  0  0  0  0 11
    2.1494   -1.5225   -0.4703 C   0  0  0  0  0  0  0  0  0 12
    3.2677   -2.7499   -0.9475 Cl  0  0  0  0  0  0  0  0  0 13
    2.2721   -0.9139    0.7723 C   0  0  0  0  0  0  0  0  0 14
    3.5441   -1.3841    1.8422 Cl  0  0  0  0  0  0  0  0  0 15
    1.3713    0.0734    1.1544 C   0  0  0  0  0  0  0  0  0 16
 16  9  4  0  0  0
 14 16  4  0  0  0
 14 15  1  0  0  0
 12 14  4  0  0  0
 12 13  1  0  0  0
 11 12  4  0  0  0
 10 11  4  0  0  0
  9 10  4  0  0  0
  5  9  1  0  0  0
  8  2  4  0  0  0
  6  8  4  0  0  0
  6  7  1  0  0  0
  5  6  4  0  0  0
  4  5  4  0  0  0
  3  4  4  0  0  0
  2  3  4  0  0  0
  1  2  1  0  0  0
M  END
> <CAS>
032598-10-0

> <A -  PBT Profiler>
3

> <B - DSL>
POP

> <C - LogHAF>
-2.59

> <C - LogHAF III>
-1.25

> <D - PBT Index>
3.591

> <A - PBT profiler>
PBT

> <B_DSL>
PBT

> <C - Log HAF_Log HAF III>
PBT

> <D_PBT Index>
PBT

> <Consensus>
PBT

$$$$
PCB 153
  DSViewer          3D                             0

 18 19  0  0  0  0  0  0  0  0999 V2000
   -3.0272    5.3784    0.2078 Cl  0  0  0  0  0  0  0  0  0  1
   -1.9141    4.0623    0.3227 C   0  0  0  0  0  0  0  0  0  2
   -1.8791    3.2729    1.4627 C   0  0  0  0  0  0  0  0  0  3
   -0.9936    2.2051    1.5740 C   0  0  0  0  0  0  0  0  0  4
   -1.0168    1.3692    3.0798 Cl  0  0  0  0  0  0  0  0  0  5
   -0.1160    1.9134    0.5162 C   0  0  0  0  0  0  0  0  0  6
   -0.1516    2.7318   -0.6105 C   0  0  0  0  0  0  0  0  0  7
   -1.0403    3.7931   -0.7180 C   0  0  0  0  0  0  0  0  0  8
   -1.0585    4.7715   -2.1414 Cl  0  0  0  0  0  0  0  0  0  9
    0.9281    0.7999    0.4510 C   0  0  0  0  0  0  0  0  0 10
    2.0181    1.0850   -0.3693 C   0  0  0  0  0  0  0  0  0 11
    3.0594    0.1837   -0.5436 C   0  0  0  0  0  0  0  0  0 12
    4.3978    0.5870   -1.5585 Cl  0  0  0  0  0  0  0  0  0 13
    3.0204   -1.0411    0.1024 C   0  0  0  0  0  0  0  0  0 14
    4.3066   -2.1760   -0.1024 Cl  0  0  0  0  0  0  0  0  0 15
    1.9333   -1.3530    0.9055 C   0  0  0  0  0  0  0  0  0 16
    0.8887   -0.4514    1.0875 C   0  0  0  0  0  0  0  0  0 17
   -0.4243   -1.0143    2.0500 Cl  0  0  0  0  0  0  0  0  0 18
 17 18  1  0  0  0
 17 10  4  0  0  0
 16 17  4  0  0  0
 14 16  4  0  0  0
 14 15  1  0  0  0
 12 14  4  0  0  0
 12 13  1  0  0  0
 11 12  4  0  0  0
 10 11  4  0  0  0
  6 10  1  0  0  0
  8  9  1  0  0  0
  8  2  4  0  0  0
  7  8  4  0  0  0
  6  7  4  0  0  0
  4  6  4  0  0  0
  4  5  1  0  0  0
  3  4  4  0  0  0
  2  3  4  0  0  0
  1  2  1  0  0  0
M  END
> <CAS>
035065-27-1

> <A -  PBT Profiler>
3

> <B - DSL>
POP

> <C - LogHAF>
-2.18

> <C - LogHAF III>
-0.9

> <D - PBT Index>
4.888

> <A - PBT profiler>
PBT

> <B_DSL>
PBT

> <C - Log HAF_Log HAF III>
PBT

> <D_PBT Index>
PBT

> <Consensus>
PBT

$$$$
PCB 194
  DSViewer          3D                             0

 20 21  0  0  0  0  0  0  0  0999 V2000
   -4.7716   -0.9409    0.7163 Cl  0  0  0  0  0  0  0  0  0  1
   -3.4948    0.2223    0.6993 C   0  0  0  0  0  0  0  0  0  2
   -2.1752   -0.1905    0.5760 C   0  0  0  0  0  0  0  0  0  3
   -1.1201    0.7191    0.5705 C   0  0  0  0  0  0  0  0  0  4
   -1.4236    2.0870    0.6642 C   0  0  0  0  0  0  0  0  0  5
   -0.2559    3.3511    0.5824 Cl  0  0  0  0  0  0  0  0  0  6
   -2.7483    2.4969    0.7826 C   0  0  0  0  0  0  0  0  0  7
   -3.1095    4.1824    0.8877 Cl  0  0  0  0  0  0  0  0  0  8
   -3.7829    1.5731    0.8072 C   0  0  0  0  0  0  0  0  0  9
   -5.4195    2.1049    0.9556 Cl  0  0  0  0  0  0  0  0  0 10
    0.2593    0.0828    0.4301 C   0  0  0  0  0  0  0  0  0 11
    0.2668   -1.1292   -0.2560 C   0  0  0  0  0  0  0  0  0 12
    1.4403   -1.8381   -0.4742 C   0  0  0  0  0  0  0  0  0 13
    1.4059   -3.3304   -1.3433 Cl  0  0  0  0  0  0  0  0  0 14
    2.6400   -1.3427    0.0103 C   0  0  0  0  0  0  0  0  0 15
    4.1090   -2.2141   -0.2470 Cl  0  0  0  0  0  0  0  0  0 16
    2.6515   -0.1477    0.7148 C   0  0  0  0  0  0  0  0  0 17
    4.1426    0.4550    1.3440 Cl  0  0  0  0  0  0  0  0  0 18
    1.4782    0.5683    0.9317 C   0  0  0  0  0  0  0  0  0 19
    1.6407    1.9989    1.8776 Cl  0  0  0  0  0  0  0  0  0 20
 19 20  1  0  0  0
 19 11  4  0  0  0
 17 19  4  0  0  0
 17 18  1  0  0  0
 15 17  4  0  0  0
 15 16  1  0  0  0
 13 15  4  0  0  0
 13 14  1  0  0  0
 12 13  4  0  0  0
 11 12  4  0  0  0
  4 11  1  0  0  0
  9 10  1  0  0  0
  9  2  4  0  0  0
  7  9  4  0  0  0
  7  8  1  0  0  0
  5  7  4  0  0  0
  5  6  1  0  0  0
  4  5  4  0  0  0
  3  4  4  0  0  0
  2  3  4  0  0  0
  1  2  1  0  0  0
M  END
> <CAS>
035694-08-7

> <A -  PBT Profiler>
3

> <B - DSL>
POP

> <C - LogHAF>
-2.21

> <C - LogHAF III>
-1.18

> <D - PBT Index>
6.183

> <A - PBT profiler>
PBT

> <B_DSL>
PBT

> <C - Log HAF_Log HAF III>
PBT

> <D_PBT Index>
PBT

> <Consensus>
PBT

$$$$
