0 B10R1.18 CC(N)CC1=CC=CC=C1 D02074 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.18 CC(N)CC1=CC=CC=C1 D07445 [0,0,0,0,0,0|0,0,0]=0 2 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 D04704 [0,0,0,0,0,0|0,0,0]=0 3 B10R1.18 C[C@H](N)CC1=CC=CC=C1 D02078 [0,0,0,0,0,0|0,0,0]=0 4 B10R1.18 C[C@H](N)CC1=CC=CC=C1 D03740 [0,0,0,0,0,0|0,0,0]=0 5 B10R1.18 O=C(O)CC1=CC=CC=C1 D09942 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.18 O=C([O-])CC1=CC=CC=C1 D05867 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.8 OCCC1=CC=CC=C1 D00192 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 D00217 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.20 CC(N)CC1=CC=C(O)C=C1 D04473 [0,1,0,0,0,0|0,0,0]=1 10 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 D07627 [0,1,0,0,0,0|0,0,0]=1 11 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 D07628 [0,1,0,0,0,0|0,0,0]=1 12 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 D01224 [0,1,0,0,0,0|0,0,0]=1 13 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 D08368 [0,1,0,0,0,0|0,0,0]=1 14 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 D00856 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 D02242 [0,1,0,0,0,0|0,0,0]=1 16 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 D08187 [0,1,0,0,0,0|0,0,0]=1 17 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 D02291 [0,1,0,0,0,0|0,0,0]=1 18 B11R1.157 CC(=O)OC1=CC(O)=CC=C1 D02393 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.157 C[C@H](N)CC1=CC(O)=CC=C1 D07150 [0,1,0,0,0,0|0,0,0]=1 20 B11R1.509 CC(C)(N)CC1=CC=CC=C1 D05458 [0,1,0,0,0,0|0,0,0]=1 21 B11R1.509 CC(C)(N)CC1=CC=CC=C1 D05459 [0,1,0,0,0,0|0,0,0]=1 22 B11R1.509 [*][N+](C)(C)CC1=CC=CC=C1 D00857 [0,1,0,0,0,0|2,0,0]=3 23 B11R2.4 N[C@@H]1CC1C2=CC=CC=C2 D00826 [0,0,0,1,0,0|0,0,0]=1 24 B11R2.4 N[C@@H]1CC1C2=CC=CC=C2 D08625 [0,0,0,1,0,0|0,0,0]=1 25 B9R1.6 NC(=O)C1=CN=CC=C1 D00036 [0,0,0,0,1,0|2,0,1]=4 26 B9R1.6 O=C(O)C1=CC=CC=C1 D00038 [0,0,0,0,1,0|2,0,1]=4 27 B9R1.6 O=C([O-])C1=CC=CC=C1 D02277 [0,0,0,0,1,0|2,0,1]=4 28 B9R1.6 O=C([O-])C1=CC=CC=C1 D05576 [0,0,0,0,1,0|2,0,1]=4 29 B11R1.91 CC(=O)O[Hg]C1=CC=CC=C1 D05464 [0,0,0,0,0,1|2,0,1]=4 30 B8R1.2 C(=O)C1=CC=CC=C1 D02314 [2,0,0,0,0,0|1,0,1]=4 31 B8R1.2 OCC1=CC=CC=C1 D00077 [2,0,0,0,0,0|1,0,0]=3 32 B8R1.2 OCC1=CC=CN=C1 D05158 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.15 CCC(O)C1=CC=CC=C1 D01470 [1,1,0,0,0,0|0,0,0]=2 34 B10R1.17 CNCCC1=NC=CC=C1 D01592 [1,1,0,0,0,0|1,0,0]=3 35 B10R1.17 CNCCC1=NC=CC=C1 D03102 [1,1,0,0,0,0|1,0,0]=3 36 B10R1.17 CNCCC1=NC=CC=C1 D07522 [1,1,0,0,0,0|1,0,0]=3 37 B10R1.17 NNCCC1=CC=CC=C1 D00505 [1,1,0,0,0,0|0,0,0]=2 38 B10R1.17 NNCCC1=CC=CC=C1 D08349 [1,1,0,0,0,0|0,0,0]=2 39 B10R1.17 OCCOC1=CC=CC=C1 D08359 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.13 CN(C)C1=CC=C(O)C=C1 D07852 [0,1,0,0,1,0|2,0,0]=4 41 B10R1.61 NC(=O)C1=C(O)C=CC=C1 D01811 [0,1,0,0,1,0|1,0,1]=4 42 B12R1.226 N=C(N)NCC1=CC(I)=CC=C1 D04559 [0,1,0,0,0,1|1,0,1]=4 43 B12R1.226 N=C(N)NCC1=CC(I)=CC=C1 D04560 [0,1,0,0,0,1|1,0,1]=4 44 B12R1.226 N=C(N)NCC1=CC([123I])=CC=C1 D01729 [0,1,0,0,0,1|1,0,1]=4 45 B12R1.226 N=C(N)NCC1=CC=CC([131I])=C1 D03308 [0,1,0,0,0,1|1,0,1]=4 46 B12R1.49 CNC(C)CC1=CC=C(O)C=C1 D08370 [0,2,0,0,0,0|0,0,0]=2 47 B12R1.49 CNC(C)CC1=CC=C(O)C=C1 D08371 [0,2,0,0,0,0|0,0,0]=2 48 B12R1.106 CC(C)(N)CC1=CC=C(Cl)C=C1 D03476 [0,2,0,0,0,0|0,0,0]=2 49 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 D00485 [0,2,0,0,0,0|0,0,0]=2 50 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 D05649 [0,2,0,0,0,0|0,0,0]=2 51 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 D08449 [0,2,0,0,0,0|0,0,0]=2 52 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 D00124 [0,2,0,0,0,0|0,0,0]=2 53 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 D01386 [0,2,0,0,0,0|0,0,0]=2 54 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 D04018 [0,2,0,0,0,0|0,0,0]=2 55 B12R1.34 CN[C@H](C)[C@@H](O)C1=CC=CC=C1 D08982 [0,2,0,0,0,0|0,0,0]=2 56 B12R1.225 C[C@H](N)[C@H](O)C1=CC(O)=CC=C1 D01019 [0,2,0,0,0,0|0,0,0]=2 57 B12R1.225 C[C@H](N)[C@H](O)C1=CC(O)=CC=C1 D08192 [0,2,0,0,0,0|0,0,0]=2 58 B12R1.32 C#CCN(C)CC1=CC=CC=C1 D02564 [0,2,0,0,0,0|2,0,0]=4 59 B12R1.32 C#CCN(C)CC1=CC=CC=C1 D08453 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.32 C=CCC(N)CC1=CC=CC=C1 D02803 [0,2,0,0,0,0|0,0,0]=2 61 B12R1.32 CCNC(C)CC1=CC=CC=C1 D07114 [0,2,0,0,0,0|0,0,0]=2 62 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 D01018 [0,2,0,0,0,0|0,0,0]=2 63 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 D08180 [0,2,0,0,0,0|0,0,0]=2 64 B12R1.151 CC(C)(N)CC1=C(Cl)C=CC=C1 D03566 [0,2,0,0,0,0|0,0,0]=2 65 B8R1.8 NCCC1=CNC=N1 D04444 [1,0,0,0,1,0|2,0,0]=4 66 B8R1.8 NCCC1=CNC=N1 D04445 [1,0,0,0,1,0|2,0,0]=4 67 B8R1.8 NCCC1=CNC=N1 D08040 [1,0,0,0,1,0|2,0,0]=4 68 B8R1.8 NCCC1=NNC=C1 D01187 [1,0,0,0,1,0|2,0,0]=4