0 B10R1.1 OCCC1=CC=C(F)C=C1 DB03669 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.1 O=CC1=CC=C(O)C=C1 DB03560 [1,0,0,0,0,0|1,0,1]=3 2 B9R1.1 OCC1=CC=C(Br)C=C1 DB02822 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.1 [NH3+]CC1=CC=C(F)C=C1 DB03243 [1,0,0,0,0,0|1,0,1]=3 4 B9R1.8 NCCC1=CC=CC=C1 DB04325 [1,0,0,0,0,0|0,0,0]=1 5 B9R1.8 O=CCC1=CC=CC=C1 DB02178 [1,0,0,0,0,0|1,0,1]=3 6 B9R1.8 OCCC1=CC=CC=C1 DB02192 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.1 OCCOC1=CC=C(Cl)C=C1 DB11368 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.22 N#C[C@@H](O)C1=CC=C(O)C=C1 DB03430 [0,1,0,0,0,0|0,0,2]=3 9 B11R2.36 CC1=CC2=C(C=C1)N=CN2 DB03177 [0,0,0,1,0,0|2,0,1]=4 10 B8R1.2 NCC1=CC=CC=C1 DB02464 [2,0,0,0,0,0|0,0,0]=2 11 B8R1.2 OCC1=CC=CN=C1 DB04145 [2,0,0,0,0,0|2,0,0]=4 12 B8R1.2 SCC1=CC=CN=C1 DB04490 [2,0,0,0,0,0|2,0,0]=4 13 B8R1.3 CC1=CC=C(O)C=C1 DB01688 [2,0,0,0,0,0|0,0,0]=2 14 B8R1.3 NC1=CC=C(N)C=C1 DB14141 [2,0,0,0,0,0|1,0,0]=3 15 B8R1.3 NC1=CC=C(O)C=C1 DB14144 [2,0,0,0,0,0|0,0,0]=2 16 B8R1.3 OC1=CC=C(I)C=C1 DB03002 [2,0,0,0,0,0|1,0,0]=3 17 B10R1.13 CC(C)C1=CC=C(N)C=C1 DB02114 [1,1,0,0,0,0|1,0,0]=3 18 B10R1.13 O=C(O)C1=CC=C(O)C=C1 DB04242 [1,1,0,0,0,0|1,0,1]=4 19 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 DB04417 [1,1,0,0,0,0|2,0,0]=4 20 B10R1.25 OCC1=CC=C(F)C=C1F DB04448 [1,1,0,0,0,0|2,0,0]=4 21 B10R1.176 O=C1C=C(CO)OC=C1O DB01759 [1,1,0,0,0,0|2,0,0]=4 22 B10R1.4 C=CCC1=CC=CC=C1O DB02534 [1,1,0,0,0,0|1,0,1]=4 23 B10R1.4 CCCC1=CC=CC=C1N DB02970 [1,1,0,0,0,0|1,0,0]=3 24 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 DB04737 [1,1,0,0,0,0|0,0,2]=4 25 B10R1.17 C=CCNC1=CC=CC=C1 DB02870 [1,1,0,0,0,0|1,0,1]=4 26 B10R1.17 NCCCC1=CC=CC=C1 DB04410 [1,1,0,0,0,0|0,0,0]=2 27 B10R1.17 O=CNCC1=CC=CC=C1 DB02481 [1,1,0,0,0,0|1,0,1]=4 28 B10R1.17 O=COCC1=CC=CC=C1 DB04569 [1,1,0,0,0,0|1,0,1]=4 29 B10R1.17 OC\C=C\C1=CC=CC=C1 DB14186 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.18 NC(=S)NC1=CC=CC=C1 DB03694 [1,1,0,0,0,0|1,0,1]=4 31 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 DB09203 [0,2,0,0,0,0|0,0,0]=2 32 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 DB03400 [0,2,0,0,0,0|2,0,0]=4 33 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 DB03210 [0,2,0,0,0,0|2,0,0]=4 34 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 DB03897 [0,2,0,0,0,0|1,0,0]=3 35 B12R1.49 [C@@H](N)(C=O)CC1=CC=C(O)C=C1 DB03978 [0,2,0,0,0,0|0,0,0]=2 36 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 DB13917 [0,2,0,0,0,0|0,0,0]=2 37 B12R1.4 COC1=CC=C(CC(C)N)C=C1 DB01472 [0,2,0,0,0,0|0,0,0]=2 38 B12R1.4 COC1=CC=C(CC(N)=O)C=C1 DB08767 [0,2,0,0,0,0|0,0,1]=3 39 B12R1.4 N=C(N)NC1=CC=C(CO)C=C1 DB06900 [0,2,0,0,0,0|1,0,1]=4 40 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 DB01702 [0,2,0,0,0,0|1,0,1]=4 41 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 DB02601 [0,2,0,0,0,0|1,0,1]=4 42 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 43 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 44 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 45 B12R1.286 CCC1=CC(CCN)=CC=C1O DB07346 [0,2,0,0,0,0|0,0,0]=2 46 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 DB04499 [1,0,0,1,0,0|1,0,0]=3 47 B10R2.7 C1=CC2=C(C=C1)NC=C2 DB04532 [1,0,0,1,0,0|0,0,2]=4 48 B10R2.7 C1=CC=C2NC=NC2=C1 DB02962 [1,0,0,1,0,0|1,0,1]=4 49 B12R2.24 IC1=CC2=C(C=C1)CCNC2 DB03824 [0,1,0,1,0,0|1,0,0]=3 50 B12R2.606 N=C1NC2=C(C=C(O)C=C2)N1 DB03729 [0,1,0,1,0,0|1,0,1]=4 51 B12R2.44 COC1=CC2=C(C=C1)N=CN2 DB04130 [0,1,0,1,0,0|1,0,1]=4 52 B12R2.100 OC1=C(O)C=C2NC=CC2=C1 DB01811 [0,1,0,1,0,0|0,0,2]=4