0 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 D02242 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 D08187 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 D02291 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.17 CNCCC1=NC=CC=C1 D01592 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.17 CNCCC1=NC=CC=C1 D03102 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.17 CNCCC1=NC=CC=C1 D07522 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.17 NNCCC1=CC=CC=C1 D00505 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.17 NNCCC1=CC=CC=C1 D08349 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.18 CC(N)CC1=CC=CC=C1 D02074 [1,0,0,0,0,0|1,0,1]=3 9 B10R1.18 CC(N)CC1=CC=CC=C1 D07445 [1,0,0,0,0,0|1,0,1]=3 10 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 D04704 [1,0,0,0,0,0|1,0,1]=3 11 B10R1.18 C[C@H](N)CC1=CC=CC=C1 D02078 [1,0,0,0,0,0|1,0,1]=3 12 B10R1.18 C[C@H](N)CC1=CC=CC=C1 D03740 [1,0,0,0,0,0|1,0,1]=3 13 B10R1.18 O=C(O)CC1=CC=CC=C1 D09942 [1,0,0,0,0,0|0,0,0]=1 14 B10R1.18 O=C([O-])CC1=CC=CC=C1 D05867 [1,0,0,0,0,0|0,0,1]=2 15 B12R1.32 CCNC(C)CC1=CC=CC=C1 D07114 [0,1,0,0,0,0|2,0,1]=4 16 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 D00485 [0,1,0,0,0,0|2,0,1]=4 17 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 D05649 [0,1,0,0,0,0|2,0,1]=4 18 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 D08449 [0,1,0,0,0,0|2,0,1]=4 19 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 D00124 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 D01386 [0,1,0,0,0,0|2,0,1]=4 21 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 D04018 [0,1,0,0,0,0|2,0,1]=4 22 B12R1.34 CN[C@H](C)[C@@H](O)C1=CC=CC=C1 D08982 [0,1,0,0,0,0|2,0,1]=4 23 B12R1.49 CNC(C)CC1=CC=C(O)C=C1 D08370 [0,1,0,0,0,0|2,0,1]=4 24 B12R1.49 CNC(C)CC1=CC=C(O)C=C1 D08371 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 D01018 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 D08180 [0,1,0,0,0,0|2,0,1]=4 27 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 D07751 [0,0,0,1,0,0|2,0,1]=4 28 B10R1.15 CCC(O)C1=CC=CC=C1 D01470 [0,0,0,0,1,0|1,0,2]=4 29 B10R1.15 COC(=O)C1=CC=CN=C1 D04991 [0,0,0,0,1,0|1,0,0]=2 30 B10R1.15 NNC(=O)C1=CC=NC=C1 D00346 [0,0,0,0,1,0|3,0,0]=4 31 B10R1.15 [*]OC(=O)C1=CC=CC=C1 D02816 [0,0,0,0,1,0|1,0,0]=2 32 B9R1.8 OCCC1=CC=CC=C1 D00192 [2,0,0,0,0,0|0,0,1]=3 33 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 D00217 [1,1,0,0,0,0|1,0,0]=3 34 B11R1.20 CC(N)CC1=CC=C(O)C=C1 D04473 [1,1,0,0,0,0|1,0,1]=4 35 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 D07627 [1,1,0,0,0,0|1,0,1]=4 36 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 D07628 [1,1,0,0,0,0|1,0,1]=4 37 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 D01224 [1,1,0,0,0,0|1,0,1]=4 38 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 D08368 [1,1,0,0,0,0|1,0,1]=4 39 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 D00856 [1,1,0,0,0,0|0,0,0]=2 40 B11R1.157 CC(=O)OC1=CC(O)=CC=C1 D02393 [1,1,0,0,0,0|1,0,0]=3 41 B11R1.157 C[C@H](N)CC1=CC(O)=CC=C1 D07150 [1,1,0,0,0,0|1,0,1]=4 42 B11R1.509 CC(C)(N)CC1=CC=CC=C1 D05458 [1,1,0,0,0,0|1,0,1]=4 43 B11R1.509 CC(C)(N)CC1=CC=CC=C1 D05459 [1,1,0,0,0,0|1,0,1]=4 44 B11R1.509 [*][N+](C)(C)CC1=CC=CC=C1 D00857 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 D01870 [0,1,0,0,1,0|1,0,0]=3 46 B11R1.22 COC(=O)C1=CC=C(O)C=C1 D01400 [0,1,0,0,1,0|0,0,0]=2 47 B11R1.22 COC(=O)C1=CC=C([O-])C=C1 D02458 [0,1,0,0,1,0|0,0,0]=2 48 B11R1.222 COC(=O)C1=CC=CC=C1O D01087 [0,1,0,0,1,0|0,0,0]=2 49 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 D07300 [0,1,0,0,0,1|1,0,0]=3 50 B13R1.417 CN\C(=N/CC1=CC=CC=C1)[NH2+]C D01603 [0,1,0,0,0,1|2,0,0]=4 51 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 D00504 [0,2,0,0,0,0|1,0,1]=4 52 B13R2.10 NC1=NCC(C2=CC=CC=C2)O1 D02909 [0,0,0,1,0,1|2,0,0]=4 53 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 D00997 [0,1,0,1,0,0|2,0,0]=4 54 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 D08614 [0,1,0,1,0,0|2,0,0]=4 55 B13R2.45 N\C=C1/CC2=CC=CC=C2C1=O D03908 [0,1,0,1,0,0|2,0,0]=4 56 B9R1.6 NC(=O)C1=CN=CC=C1 D00036 [1,0,0,0,1,0|2,0,0]=4 57 B9R1.6 O=C(O)C1=CC=CC=C1 D00038 [1,0,0,0,1,0|0,0,0]=2 58 B9R1.6 O=C(O)C1=CN=CC=C1 D00049 [1,0,0,0,1,0|1,0,0]=3 59 B9R1.6 O=C([O-])C1=CC=CC=C1 D02277 [1,0,0,0,1,0|0,0,1]=3 60 B9R1.6 O=C([O-])C1=CC=CC=C1 D05576 [1,0,0,0,1,0|0,0,1]=3