0 B9R1.2 OCC1=CC=CC(I)=C1 DB03339 [1,0,0,0,0,0|2,0,0]=3 1 B9R1.8 NCCC1=CC=CC=C1 DB04325 [1,0,0,0,0,0|0,0,0]=1 2 B9R1.8 O=CCC1=CC=CC=C1 DB02178 [1,0,0,0,0,0|1,0,1]=3 3 B9R1.8 OCCC1=CC=CC=C1 DB02192 [1,0,0,0,0,0|1,0,0]=2 4 B11R1.13 C=CCC1=C(O)C(C)=CC=C1 DB03301 [0,1,0,0,0,0|2,0,1]=4 5 B11R1.192 NCCC1=CC(O)=C(O)C=C1 DB00988 [0,1,0,0,0,0|0,0,0]=1 6 B11R1.192 OCCC1=CC=C(O)C(O)=C1 DB12771 [0,1,0,0,0,0|1,0,0]=2 7 B8R1.2 NCC1=CC=CC=C1 DB02464 [2,0,0,0,0,0|0,0,0]=2 8 B8R1.2 OCC1=CC=CC=C1 DB06770 [2,0,0,0,0,0|1,0,0]=3 9 B8R1.2 OCC1=CC=CN=C1 DB04145 [2,0,0,0,0,0|2,0,0]=4 10 B8R1.2 SCC1=CC=CN=C1 DB04490 [2,0,0,0,0,0|2,0,0]=4 11 B8R1.4 CC1=CC=CC(O)=C1 DB01776 [2,0,0,0,0,0|0,0,0]=2 12 B8R1.4 OC1=CC=CC(Cl)=C1 DB01957 [2,0,0,0,0,0|1,0,0]=3 13 B8R1.4 OC1=CC=CC(O)=C1 DB11085 [2,0,0,0,0,0|1,0,0]=3 14 B10R1.2 OCC1=CC=CC(F)=C1F DB04312 [1,1,0,0,0,0|2,0,0]=4 15 B10R1.176 O=CC1=CC=C(O)C(O)=C1 DB11268 [1,1,0,0,0,0|1,0,1]=4 16 B10R1.1 NCCC1=CC=C(O)C=C1 DB08841 [1,1,0,0,0,0|0,0,0]=2 17 B10R1.1 OCCC1=CC=C(F)C=C1 DB03669 [1,1,0,0,0,0|1,0,0]=3 18 B10R1.4 C=CCC1=CC=CC=C1O DB02534 [1,1,0,0,0,0|1,0,1]=4 19 B10R1.4 CCCC1=CC=CC=C1N DB02970 [1,1,0,0,0,0|1,0,0]=3 20 B10R1.15 CC(NN)C1=CC=CC=C1 DB09248 [1,1,0,0,0,0|1,0,0]=3 21 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 DB04737 [1,1,0,0,0,0|0,0,2]=4 22 B10R1.17 C=CCNC1=CC=CC=C1 DB02870 [1,1,0,0,0,0|1,0,1]=4 23 B10R1.17 CNCCC1=CC=CC=N1 DB06698 [1,1,0,0,0,0|1,0,0]=3 24 B10R1.17 NCCCC1=CC=CC=C1 DB04410 [1,1,0,0,0,0|0,0,0]=2 25 B10R1.17 NNCCC1=CC=CC=C1 DB00780 [1,1,0,0,0,0|0,0,0]=2 26 B10R1.17 O=CNCC1=CC=CC=C1 DB02481 [1,1,0,0,0,0|1,0,1]=4 27 B10R1.17 O=COCC1=CC=CC=C1 DB04569 [1,1,0,0,0,0|1,0,1]=4 28 B10R1.17 OCCOC1=CC=CC=C1 DB11304 [1,1,0,0,0,0|1,0,0]=3 29 B10R1.17 OC\C=C\C1=CC=CC=C1 DB14186 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.18 CC(N)CC1=CC=CC=C1 DB00182 [1,1,0,0,0,0|0,0,0]=2 31 B10R1.18 C[C@H](N)CC1=CC=CC=C1 DB01576 [1,1,0,0,0,0|0,0,0]=2 32 B10R1.18 NC(=S)NC1=CC=CC=C1 DB03694 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.18 O=C(O)CC1=CC=CC=C1 DB09269 [1,1,0,0,0,0|1,0,1]=4 34 B12R1.10 CC[N+](C)(C)C1=CC(O)=CC=C1 DB01010 [0,2,0,0,0,0|2,0,0]=4 35 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 DB00388 [0,2,0,0,0,0|0,0,0]=2 36 B12R1.225 C[C@H](N)[C@H](O)C1=CC(O)=CC=C1 DB00610 [0,2,0,0,0,0|0,0,0]=2 37 B12R1.225 [C@H](C)(C1=CC(O)=CC=C1)N(C)C DB04556 [0,2,0,0,0,0|2,0,0]=4 38 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 DB00368 [0,2,0,0,0,0|0,0,0]=2 39 B12R1.226 N=C(N)NCC1=CC([123I])=CC=C1 DB09546 [0,2,0,0,0,0|1,0,1]=4 40 B12R1.226 NC(N)=NCC1=CC(I)=CC=C1 DB06704 [0,2,0,0,0,0|1,0,1]=4 41 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 DB13917 [0,2,0,0,0,0|0,0,0]=2 42 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 DB01702 [0,2,0,0,0,0|1,0,1]=4 43 B12R1.127 O=C(O)CC1=C(O)C=CC(O)=C1 DB08327 [0,2,0,0,0,0|1,0,1]=4 44 B12R1.286 C=CCC1=CC(OC)=C(O)C=C1 DB09086 [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|1,0,0]=3 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|2,0,0]=4 50 B12R2.606 N=C1NC2=C(C=C(O)C=C2)N1 DB03729 [0,1,0,1,0,0|1,0,1]=4 51 B12R2.100 OC1=C(O)C=C2NC=CC2=C1 DB01811 [0,1,0,1,0,0|0,0,2]=4 52 B8R1.1 NCC1=CC(O)=NO1 DB12458 [1,0,0,0,1,0|2,0,0]=4 53 B8R1.8 NCCC1=CC=NN1 DB00272 [1,0,0,0,1,0|2,0,0]=4 54 B8R1.8 NCCC1=CNC=N1 DB05381 [1,0,0,0,1,0|2,0,0]=4