0 B10R1.18 NC(=S)NC1=CC=CC=C1 DB03694 [0,0,0,0,0,0|2,1,0]=3 1 B9R1.8 NCCC1=CC=CC=C1 DB04325 [1,0,0,0,0,0|1,0,1]=3 2 B9R1.8 O=CCC1=CC=CC=C1 DB02178 [1,0,0,0,0,0|0,0,0]=1 3 B9R1.8 OCCC1=CC=CC=C1 DB02192 [1,0,0,0,0,0|0,0,1]=2 4 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 DB01486 [0,1,0,0,0,0|2,0,1]=4 5 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 DB02279 [0,1,0,0,0,0|0,0,1]=2 6 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 DB03357 [0,1,0,0,0,0|0,0,0]=1 7 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 DB02280 [0,1,0,0,0,0|0,0,0]=1 8 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 DB02972 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.40 NOC(=O)NC1=CC=CC=C1 DB04157 [0,1,0,0,0,0|1,0,0]=2 10 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 DB04484 [0,1,0,0,0,0|1,0,1]=3 11 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 DB02803 [0,1,0,0,0,0|0,0,2]=3 12 B11R1.509 O=P(O)(O)OC1=CC=CC=C1 DB03298 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.509 O=S(=O)(O)CC1=CC=CC=C1 DB03297 [0,1,0,0,0,0|1,0,0]=2 14 B11R2.4 [NH3+][C@@H]1C[C@H]1C2=CC=CC=C2 DB02665 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.6 CC(=O)C1=CC=CC=C1 DB04619 [0,0,0,0,1,0|1,0,0]=2 16 B9R1.6 C[C@@H](O)C1=CC=CC=C1 DB04784 [0,0,0,0,1,0|1,0,1]=3 17 B9R1.6 NC(=[NH2+])C1=CC=CC=C1 DB03127 [0,0,0,0,1,0|2,0,0]=3 18 B9R1.6 O=[S@](O)C1=CC=CC=C1 DB03848 [0,0,0,0,1,0|1,0,0]=2 19 B9R1.6 OB(O)C1=CC=CC=C1 DB01795 [0,0,0,0,1,0|1,0,1]=3 20 B11R1.91 O=C(O)CCC1=CC=CC=C1 DB02024 [0,0,0,0,0,1|0,0,0]=1 21 B11R1.91 OB(O)CCC1=CC=CC=C1 DB01963 [0,0,0,0,0,1|1,0,1]=3 22 B8R1.2 NCC1=CC=CC=C1 DB02464 [2,0,0,0,0,0|1,0,0]=3 23 B8R1.2 OCC1=CC=CN=C1 DB04145 [2,0,0,0,0,0|1,0,0]=3 24 B8R1.2 SCC1=CC=CN=C1 DB04490 [2,0,0,0,0,0|1,1,0]=4 25 B10R1.1 OCCC1=CC=C(F)C=C1 DB03669 [1,1,0,0,0,0|0,0,1]=3 26 B10R1.4 C=CCC1=CC=CC=C1O DB02534 [1,1,0,0,0,0|1,0,0]=3 27 B10R1.4 CCCC1=CC=CC=C1N DB02970 [1,1,0,0,0,0|1,0,1]=4 28 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 DB04737 [1,1,0,0,0,0|1,0,1]=4 29 B10R1.15 O=C(NO)C1=CC=CC=C1 DB01924 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.17 C=CCNC1=CC=CC=C1 DB02870 [1,1,0,0,0,0|1,0,0]=3 31 B10R1.17 NCCCC1=CC=CC=C1 DB04410 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.17 O=CNCC1=CC=CC=C1 DB02481 [1,1,0,0,0,0|0,0,0]=2 33 B10R1.17 O=COCC1=CC=CC=C1 DB04569 [1,1,0,0,0,0|0,0,0]=2 34 B10R1.17 O=C\C=C\C1=CC=CC=C1 DB14184 [1,1,0,0,0,0|0,0,1]=3 35 B10R1.17 OC\C=C\C1=CC=CC=C1 DB14186 [1,1,0,0,0,0|0,0,1]=3 36 B10R1.13 NC1=CC=C(C(=O)O)C=C1 DB02362 [0,1,0,0,1,0|0,0,0]=2 37 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 DB03728 [0,1,0,0,1,0|0,0,0]=2 38 B10R1.13 O=C(O)C1=CC=C(O)C=C1 DB04242 [0,1,0,0,1,0|0,0,0]=2 39 B10R1.13 O=C(O)C1=CC=C([Hg])C=C1 DB03975 [0,1,0,0,1,0|0,0,0]=2 40 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 DB04417 [0,1,0,0,1,0|1,0,1]=4 41 B10R1.61 NC1=CC=CC=C1C(=O)O DB04166 [0,1,0,0,1,0|0,0,0]=2 42 B10R1.61 O=C(O)C1=C(S)C=CC=C1 DB14026 [0,1,0,0,1,0|0,0,0]=2 43 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 DB01854 [0,1,0,0,1,0|2,0,0]=4 44 B10R1.113 NC1=CC=CC(B(O)O)=C1 DB01896 [0,1,0,0,1,0|1,0,1]=4 45 B10R1.113 NC1=CC=CC(C(=O)O)=C1 DB02054 [0,1,0,0,1,0|0,0,0]=2 46 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 DB03400 [0,1,0,0,0,1|0,0,0]=2 47 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 DB03210 [0,1,0,0,0,1|0,0,0]=2 48 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 DB03897 [0,1,0,0,0,1|0,0,0]=2 49 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 DB04066 [0,1,0,0,0,1|0,0,1]=3 50 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O DB02556 [0,1,0,0,0,1|0,0,0]=2 51 B12R1.43 N\C(=C/C1=CC=CC=C1)C(=O)O DB04584 [0,1,0,0,0,1|0,0,1]=3 52 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 DB03884 [0,1,0,0,0,1|0,0,0]=2 53 B12R1.43 [C@@H](C)(O)[C@@H](N)CC1=CC=CC=C1 DB08428 [0,1,0,0,0,1|1,0,1]=4 54 B12R1.43 [C@H](C)(CC1=CC=CC=C1)C(=O)O DB07673 [0,1,0,0,0,1|0,0,0]=2 55 B12R1.43 [C@H](N)(CC1=CC=CC=C1)B(O)O DB07411 [0,1,0,0,0,1|1,0,1]=4 56 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O DB04029 [0,1,0,0,0,1|1,0,0]=3 57 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(O)O DB07910 [0,1,0,0,0,1|0,0,2]=4 58 B12R1.43 [C@H](O)(CC1=CC=CC=C1)C(=O)O DB02494 [0,1,0,0,0,1|0,0,0]=2 59 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O DB01650 [0,1,0,0,0,1|0,0,1]=3 60 B12R1.4 COC1=CC=C(CC(N)=O)C=C1 DB08767 [0,2,0,0,0,0|1,0,0]=3 61 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 DB01702 [0,2,0,0,0,0|0,0,0]=2 62 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 DB02601 [0,2,0,0,0,0|0,0,0]=2 63 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 DB04291 [0,2,0,0,0,0|0,0,0]=2 64 B12R1.20 [C@@H](O)(C(=O)O)C1=CC=C(O)C=C1 DB07896 [0,2,0,0,0,0|0,0,0]=2 65 B12R1.20 [C@H](N)(C(=O)O)C1=CC=C(O)C=C1 DB04308 [0,2,0,0,0,0|0,0,0]=2 66 B12R1.49 N=C(NO)NC1=CC=C(Cl)C=C1 DB04559 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.49 [C@@H](N)(C=O)CC1=CC=C(O)C=C1 DB03978 [0,2,0,0,0,0|1,0,1]=4 68 B12R1.34 [C@H](C)(C1=CC=CC=C1)N(C)C=O DB04379 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.253 C[C@@](O)(C(=O)O)C1=CC=CC=C1 DB07381 [0,2,0,0,0,0|0,0,0]=2 70 B12R1.127 O=C(O)CC1=C(O)C=CC(O)=C1 DB08327 [0,2,0,0,0,0|0,0,0]=2 71 B12R1.101 O=C(O)CC1=CC(=O)NC(=O)N1 DB03048 [0,2,0,0,0,0|2,0,0]=4 72 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 DB04499 [1,0,0,1,0,0|0,0,1]=3 73 B10R2.7 C1=CC2=C(C=C1)NC=C2 DB04532 [1,0,0,1,0,0|1,0,1]=4 74 B10R2.7 C1=CC2=C(C=C1)OC=C2 DB04179 [1,0,0,1,0,0|0,0,1]=3 75 B10R2.7 C1=CC=C2NC=NC2=C1 DB02962 [1,0,0,1,0,0|2,0,0]=4 76 B12R2.24 O=C1C=CC2=CC=CC=C2N1 DB04745 [0,0,0,1,0,1|1,0,1]=4 77 B12R2.24 O=C1C=CC2=CC=CC=C2O1 DB04665 [0,0,0,1,0,1|0,0,1]=3 78 B12R2.18 O=C1NC2=CC=CC=C2C1=O DB02095 [0,1,0,1,0,0|1,0,1]=4 79 B8R1.7 O=C(O)C1=CC=CN1 DB02543 [0,0,0,0,2,0|1,0,0]=3 80 B8R1.7 O=C(O)C1=CSC=N1 DB03422 [0,0,0,0,2,0|2,0,0]=4