0 B10R1.1 NCCC1=CC=C(O)C=C1 DB08841 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.1 OCCC1=CC=C(F)C=C1 DB03669 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.1 COC1=CC=C(O)C=C1 DB09516 [1,0,0,0,0,0|1,0,0]=2 3 B9R1.1 O=CC1=CC=C(O)C=C1 DB03560 [1,0,0,0,0,0|1,0,1]=3 4 B9R1.1 OCC1=CC=C(Br)C=C1 DB02822 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.1 [NH3+]CC1=CC=C(F)C=C1 DB03243 [1,0,0,0,0,0|1,0,1]=3 6 B9R1.8 NCCC1=CC=CC=C1 DB04325 [1,0,0,0,0,0|0,0,0]=1 7 B9R1.8 O=CCC1=CC=CC=C1 DB02178 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.8 OCCC1=CC=CC=C1 DB02192 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.1 OCCOC1=CC=C(Cl)C=C1 DB11368 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 DB00316 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.20 CC(N)CC1=CC=C(O)C=C1 DB09352 [0,1,0,0,0,0|0,0,0]=1 12 B11R1.22 N#C[C@@H](O)C1=CC=C(O)C=C1 DB03430 [0,1,0,0,0,0|0,0,2]=3 13 B11R1.192 NCCC1=CC(O)=C(O)C=C1 DB00988 [0,1,0,0,0,0|0,0,0]=1 14 B11R1.192 OCCC1=CC=C(O)C(O)=C1 DB12771 [0,1,0,0,0,0|1,0,0]=2 15 B11R2.36 CC1=CC2=C(C=C1)N=CN2 DB03177 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.2 NCC1=CC=CC=C1 DB02464 [2,0,0,0,0,0|0,0,0]=2 17 B8R1.2 OCC1=CC=CC=C1 DB06770 [2,0,0,0,0,0|1,0,0]=3 18 B8R1.2 OCC1=CC=CN=C1 DB04145 [2,0,0,0,0,0|2,0,0]=4 19 B8R1.2 SCC1=CC=CN=C1 DB04490 [2,0,0,0,0,0|2,0,0]=4 20 B8R1.3 CC1=CC=C(O)C=C1 DB01688 [2,0,0,0,0,0|0,0,0]=2 21 B8R1.3 NC1=CC=C(N)C=C1 DB14141 [2,0,0,0,0,0|1,0,0]=3 22 B8R1.3 NC1=CC=C(O)C=C1 DB14144 [2,0,0,0,0,0|0,0,0]=2 23 B8R1.3 OC1=CC=C(Cl)C=C1 DB13154 [2,0,0,0,0,0|1,0,0]=3 24 B8R1.3 OC1=CC=C(I)C=C1 DB03002 [2,0,0,0,0,0|1,0,0]=3 25 B8R1.3 OC1=CC=C(O)C=C1 DB09526 [2,0,0,0,0,0|1,0,0]=3 26 B10R1.13 CC(C)C1=CC=C(N)C=C1 DB02114 [1,1,0,0,0,0|1,0,0]=3 27 B10R1.13 O=C(O)C1=CC=C(O)C=C1 DB04242 [1,1,0,0,0,0|1,0,1]=4 28 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 DB04417 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.25 OCC1=C(Cl)C=C(Cl)C=C1 DB13269 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.25 OCC1=CC=C(F)C=C1F DB04448 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.176 O=C1C=C(CO)OC=C1O DB01759 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.176 O=CC1=CC=C(O)C(O)=C1 DB11268 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.4 C=CCC1=CC=CC=C1O DB02534 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.4 CCCC1=CC=CC=C1N DB02970 [1,1,0,0,0,0|1,0,0]=3 35 B10R1.15 CC(NN)C1=CC=CC=C1 DB09248 [1,1,0,0,0,0|1,0,0]=3 36 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 DB04737 [1,1,0,0,0,0|0,0,2]=4 37 B10R1.17 C=CCNC1=CC=CC=C1 DB02870 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.17 CNCCC1=CC=CC=N1 DB06698 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.17 NCCCC1=CC=CC=C1 DB04410 [1,1,0,0,0,0|0,0,0]=2 40 B10R1.17 NNCCC1=CC=CC=C1 DB00780 [1,1,0,0,0,0|0,0,0]=2 41 B10R1.17 O=CNCC1=CC=CC=C1 DB02481 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.17 O=COCC1=CC=CC=C1 DB04569 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.17 OCCOC1=CC=CC=C1 DB11304 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.17 OC\C=C\C1=CC=CC=C1 DB14186 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.18 CC(N)CC1=CC=CC=C1 DB00182 [1,1,0,0,0,0|0,0,0]=2 46 B10R1.18 C[C@H](N)CC1=CC=CC=C1 DB01576 [1,1,0,0,0,0|0,0,0]=2 47 B10R1.18 NC(=S)NC1=CC=CC=C1 DB03694 [1,1,0,0,0,0|1,0,1]=4 48 B10R1.18 O=C(O)CC1=CC=CC=C1 DB09269 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 DB09203 [0,2,0,0,0,0|0,0,0]=2 50 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 DB03400 [0,2,0,0,0,0|2,0,0]=4 51 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 DB03210 [0,2,0,0,0,0|2,0,0]=4 52 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 DB03897 [0,2,0,0,0,0|1,0,0]=3 53 B12R1.49 [C@@H](N)(C=O)CC1=CC=C(O)C=C1 DB03978 [0,2,0,0,0,0|0,0,0]=2 54 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 DB13917 [0,2,0,0,0,0|0,0,0]=2 55 B12R1.4 COC1=CC=C(CC(C)N)C=C1 DB01472 [0,2,0,0,0,0|0,0,0]=2 56 B12R1.4 COC1=CC=C(CC(N)=O)C=C1 DB08767 [0,2,0,0,0,0|0,0,1]=3 57 B12R1.4 N=C(N)NC1=CC=C(CO)C=C1 DB06900 [0,2,0,0,0,0|1,0,1]=4 58 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 DB01702 [0,2,0,0,0,0|1,0,1]=4 59 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 DB02601 [0,2,0,0,0,0|1,0,1]=4 60 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 DB04291 [0,2,0,0,0,0|1,0,1]=4 61 B12R1.20 [C@@H](O)(C(=O)O)C1=CC=C(O)C=C1 DB07896 [0,2,0,0,0,0|1,0,1]=4 62 B12R1.20 [C@H](N)(C(=O)O)C1=CC=C(O)C=C1 DB04308 [0,2,0,0,0,0|1,0,1]=4 63 B12R1.106 CC(C)(N)CC1=CC=C(Cl)C=C1 DB01556 [0,2,0,0,0,0|1,0,0]=3 64 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 DB00368 [0,2,0,0,0,0|0,0,0]=2 65 B12R1.286 C=CCC1=CC(OC)=C(O)C=C1 DB09086 [0,2,0,0,0,0|1,0,1]=4 66 B12R1.286 CCC1=CC(CCN)=CC=C1O DB07346 [0,2,0,0,0,0|0,0,0]=2 67 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 DB04499 [1,0,0,1,0,0|1,0,0]=3 68 B10R2.7 C1=CC2=C(C=C1)NC=C2 DB04532 [1,0,0,1,0,0|0,0,2]=4 69 B10R2.7 C1=CC=C2NC=NC2=C1 DB02962 [1,0,0,1,0,0|1,0,1]=4 70 B12R2.24 IC1=CC2=C(C=C1)CCNC2 DB03824 [0,1,0,1,0,0|1,0,0]=3 71 B12R2.606 N=C1NC2=C(C=C(O)C=C2)N1 DB03729 [0,1,0,1,0,0|1,0,1]=4 72 B12R2.44 COC1=CC2=C(C=C1)N=CN2 DB04130 [0,1,0,1,0,0|1,0,1]=4 73 B12R2.100 OC1=C(O)C=C2NC=CC2=C1 DB01811 [0,1,0,1,0,0|0,0,2]=4 74 B8R1.1 NCC1=CC(O)=NO1 DB12458 [1,0,0,0,1,0|2,0,0]=4 75 B8R1.8 NCCC1=CC=NN1 DB00272 [1,0,0,0,1,0|2,0,0]=4 76 B8R1.8 NCCC1=CNC=N1 DB05381 [1,0,0,0,1,0|2,0,0]=4