0 B13R2.369 NC1=C(Br)C=C2C=CC=CC2=C1 5287AE [0,0,0,0,0,0|3,0,0]=3 1 B13R2.369 O=C1OC2=CC=CC=C2N=C1Cl 2593AB [0,0,0,0,0,0|2,0,0]=2 2 B12R2.24 CC1=CC=C2C=CN=CC2=C1 7738AB [1,0,0,0,0,0|3,0,0]=4 3 B12R2.24 ClC1=NN=C2C=CC=CC2=C1 5859AJ [1,0,0,0,0,0|3,0,0]=4 4 B12R2.24 FC1=CC2=C(C=CC=N2)N=C1 2273AJ [1,0,0,0,0,0|3,0,0]=4 5 B12R2.24 IC1=CC2=CC=CC=C2C=N1 Y5506 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.24 OC1=CC2=C(C=CC=N2)C=C1 3083AL [1,0,0,0,0,0|2,0,0]=3 7 B12R2.24 OC1=CC2=CC=CC=C2C=N1 W8331 [1,0,0,0,0,0|2,0,0]=3 8 B14R2.1128 CC1=C(C#N)N=C2C=CC=CC2=C1 Z4342 [0,1,0,0,0,0|3,0,0]=4 9 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1Br X4034 [0,1,0,0,0,0|2,0,0]=3 10 B14R2.8188 O=C1C(O)OC2=CC=CC=C2N1O 0078AP [0,1,0,0,0,0|2,0,1]=4 11 B14R2.8188 O=C1NC2=CC=CC=C2C(O)=C1Cl 9463AJ [0,1,0,0,0,0|2,0,0]=3 12 B14R2.28472 CC1=CC2=C(N=C1Cl)C(C)=CC=C2 2035AL [0,1,0,0,0,0|3,0,0]=4 13 B12R1.43 CC(=O)\C(C)=C\C1=CC=CC=C1 9899AA [0,0,1,0,0,0|2,0,0]=3 14 B12R1.43 O=C(O)[C@@H](Cl)CC1=CC=CC=C1 Z6054 [0,0,1,0,0,0|1,0,2]=4 15 B12R2.18 BrC1=C(Br)C2=CC=CC=C2O1 Z2437 [0,0,0,0,1,0|2,0,0]=3 16 B12R2.18 CN1C(=S)OC2=CC=CC=C21 Y7468 [0,0,0,0,1,0|2,1,0]=4 17 B12R2.18 O=C1OC2=C(C=CC=C2)C1=O 6525AJ [0,0,0,0,1,0|0,0,1]=2 18 B11R1.40 O=CC(=O)CC1=CC=CC=C1 X3517 [1,0,1,0,0,0|0,0,2]=4 19 B11R1.40 O=C\C(Cl)=C\C1=CC=CC=C1 Z3501 [1,0,1,0,0,0|1,0,0]=3 20 B11R1.91 O=C(O)C=CC1=CC=CC=C1 9667AL [1,0,1,0,0,0|0,0,0]=2 21 B11R1.17 CC1=CC=CC=C1\C=C\C=O 5900AC [1,0,1,0,0,0|1,0,0]=3 22 B11R1.17 O=C\C=C\C1=CC=CC=C1O W2100 [1,0,1,0,0,0|0,0,0]=2 23 B11R1.86 O=C(Cl)OC1=CC=CC=C1Cl 1026AP [1,0,1,0,0,0|2,0,0]=4 24 B11R1.1 C=C\C=C\C1=CC=C(F)C=C1 1155AL [1,0,1,0,0,0|2,0,0]=4 25 B13R1.133 O=C(O)C(O)CC1=CC=C(O)C=C1 3229AB [0,1,1,0,0,0|0,0,2]=4 26 B13R1.133 O=C(O)C(O)CC1=CC=C(O)C=C1 7792AL [0,1,1,0,0,0|0,0,2]=4 27 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O V2385 [0,1,1,0,0,0|0,0,2]=4 28 B13R1.152 N[C@H](C1=CC=CC=C1)[C@H](O)C(=O)O Y1640 [0,1,1,0,0,0|0,0,2]=4 29 B13R1.470 CC1=C(NC(=O)\C=N\O)C=CC=C1 2265AA [0,1,1,0,0,0|1,0,1]=4 30 B13R2.32 CN1C(=S)C=CC2=CC=CC=C21 4164AE [1,1,0,0,0,0|1,1,0]=4 31 B13R2.57 NNC1=CN=C2C=CC=CC2=C1 2282AJ [1,1,0,0,0,0|2,0,0]=4 32 B13R2.328 NC1=CC(=O)OC2=C1C=CC=C2 8125AJ [1,1,0,0,0,0|0,0,0]=2 33 B13R2.328 NC1=CC(O)=CC2=C1C=CC=C2 V7872 [1,1,0,0,0,0|1,0,0]=3 34 B13R2.328 [O-]C1=C2C=CC=CC2=NC(O)=C1 5307AL [1,1,0,0,0,0|1,0,1]=4 35 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)C=C2 9817AE [1,1,0,0,0,0|1,0,0]=3 36 B13R2.3683 NC1=CC2=CC=C(Br)C=C2N=C1 5255AA [1,1,0,0,0,0|2,0,0]=4 37 B13R2.3683 O=C1N=CC2=CC(Br)=CC=C2N1 2476AC [1,1,0,0,0,0|2,0,0]=4 38 B13R2.5179 O=C1C=CC2=C(Br)C=CC=C2N1 3165AJ [1,1,0,0,0,0|1,0,0]=3 39 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)C1 2228AJ [0,1,0,0,1,0|2,0,0]=4 40 B15R2.274 O=CC1=C(O)C2=CC=CC=C2OC1=O 4760AE [0,2,0,0,0,0|0,0,1]=3 41 B15R2.888 CCOC1=NC2=CC=CC=C2NC1=O 0917AF [0,2,0,0,0,0|2,0,0]=4 42 B15R2.9032 CC1=C(O)C(=O)C2=C(C=CC=C2)C1=O Q275 [0,2,0,0,0,0|2,0,0]=4 43 B15R2.9032 O=C1C(O)=C(O)C(=O)C2=C1C=CC=C2 6547AE [0,2,0,0,0,0|1,0,1]=4 44 B13R2.435 O=C(Cl)C1=CC2=CC=CC=C2S1 Y8996 [0,0,1,1,0,0|1,1,0]=4 45 B13R2.435 O=C(O)C1=NC2=CC=CC=C2O1 0986AB [0,0,1,1,0,0|1,0,0]=3 46 B11R1.36 C=C(C(C)=O)C1=CC=CC=C1 Y8709 [0,0,1,0,1,0|2,0,0]=4 47 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 8062AF [0,0,1,0,1,0|0,0,1]=3 48 B11R2.1 CC1C=CC2=C1C=CC=C2 1961AC [1,0,0,0,1,0|1,0,1]=4 49 B11R2.1 IC1=CNC2=C1C=CC=C2 2307AJ [1,0,0,0,1,0|2,0,0]=4 50 B11R2.1 NC1=CNC2=C1C=CC=C2 8737AE [1,0,0,0,1,0|2,0,0]=4 51 B11R2.1 OC1=CSC2=CC=CC=C12 Z5532 [1,0,0,0,1,0|0,1,0]=3 52 B11R2.10 NC1=CC2=C(C=CC=C2)O1 6755AA [1,0,0,0,1,0|1,0,0]=3 53 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 9415AJ [0,0,1,0,0,1|0,0,2]=4