0 B10R1.1 CNCC1=CC=C(C)C=C1 4089741 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.1 CNCC1=CC=C(Cl)N=C1 4088428 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.1 NNCC1=CC=C(Cl)C=C1 4088846 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.1 NNCC1=CC=C(F)C=C1 4088591 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.1 CC1=CN=C(CN)C=C1 4010338 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.1 CC1=CN=C(CN)C=C1 4089721 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.1 CCC1=CN=C(O)N=C1 4090949 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.1 NCC1=NC=C(Cl)C=N1 4091048 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.8 CNCC1=CC=NC=C1 3002392 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.8 NCCC1=NC=CC=C1 3020070 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.1 C#CCOC1=CC=C(N)C=C1 4089055 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.1 CCCSC1=CC=C(N)C=C1 4090004 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.1 NCCOC1=CC=C(Br)C=C1 4090090 [0,1,0,0,0,0|1,0,0]=2 13 B11R1.1 NCCOC1=CC=C(Cl)C=C1 4088197 [0,1,0,0,0,0|1,0,0]=2 14 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 3002119 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.22 CCC(N)C1=CC=C(O)C=C1 4088665 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.22 CNC(C)C1=CC=C(Cl)C=C1 4088802 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.83 CCC1=CC=C(CNN)C=C1 4090815 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.83 COC1=CC=C(CNN)C=C1 4085299 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.192 CCOC1=CC=C(N)C(F)=C1 4088072 [0,1,0,0,0,0|3,0,0]=4 20 B11R2.36 ClC1=CC2=C(C=CN2)C=C1 3020088 [0,0,0,1,0,0|1,0,2]=4 21 B11R2.36 NC1=CC2=C(C=C1)NCC2 3020471 [0,0,0,1,0,0|3,0,0]=4 22 B11R2.36 OC1=CC=C2NC=NC2=C1 4088281 [0,0,0,1,0,0|1,0,2]=4 23 B9R1.7 CC1=CC=C(CCN)S1 4004130 [0,0,0,0,1,0|2,0,0]=3 24 B9R1.7 CC1=CN(CCN)N=C1 4089607 [0,0,0,0,1,0|3,0,0]=4 25 B9R1.7 CC1=NN(CCN)C=C1 4016693 [0,0,0,0,1,0|3,0,0]=4 26 B9R1.7 NCCC1=CSC(N)=N1 4088132 [0,0,0,0,1,0|3,0,0]=4 27 B8R1.2 BrCC1=CN=CC=C1 4090400 [2,0,0,0,0,0|2,0,0]=4 28 B8R1.2 NCC1=NC=NC=C1 4102725 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.2 NNC1=CC=CN=C1 4090882 [2,0,0,0,0,0|2,0,0]=4 30 B8R1.2 NNC1=CC=NC=C1 4089280 [2,0,0,0,0,0|2,0,0]=4 31 B8R1.3 CC1=CN=C(O)N=C1 4090925 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.3 CCC1=CC=C(C=O)N=C1 4019624 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.13 CC1=CC=C(C(C)N)C=C1 3002653 [1,1,0,0,0,0|1,0,0]=3 34 B10R1.13 CC1=NC=C(C(C)N)C=C1 4014888 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 4090345 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.13 N=C(N)C1=CC=C(F)C=C1 4089401 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.25 CC1=CC(C)=C(CN)C=N1 4003180 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.25 NCC1=C(O)C=C(O)C=C1 4089662 [1,1,0,0,0,0|0,0,0]=2 39 B10R1.4 CC1=C(CNN)C=CC=C1 4089820 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.4 CC1=CC=CN=C1CCN 4002940 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.4 CNCC1=CC=CC=C1C 4090872 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.4 NNCC1=C(Cl)C=CC=C1 4090851 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.10 CC1=NC(CCBr)=CC=C1 4088742 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.10 NCCC1=CC=CC(=O)N1 4063034 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.10 NNCC1=CC=CC(Cl)=C1 4088727 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.15 CCC(N)C1=NC=CC=C1 4088626 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.15 NC[C@@H](O)C1=CC=CN=C1 4107744 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.15 NC[C@H](O)C1=CN=CC=C1 4092063 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 4053875 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 4068902 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.17 BrCCCC1=CC=CN=C1 4090397 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.17 CCNCC1=CC=CN=C1 9070410 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.17 NCCSC1=CC=CC=C1 4002675 [1,1,0,0,0,0|0,0,0]=2 54 B10R1.17 NCCSC1=NC=CC=C1 4090640 [1,1,0,0,0,0|1,0,0]=3 55 B10R1.17 NC\C=C\C1=CC=CC=C1 4090564 [1,1,0,0,0,0|0,0,1]=3 56 B10R1.18 CC(N)CC1=CC=CC=N1 4000001 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.18 CC(N)CC1=CC=NC=C1 4002036 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.18 N=C(N)CC1=CC=CN=C1 4089686 [1,1,0,0,0,0|1,0,1]=4 59 B10R1.18 N=C(N)CC1=NC=CC=C1 4088302 [1,1,0,0,0,0|1,0,1]=4 60 B10R1.94 CC1=C(C)C(CCN)=CS1 4028596 [0,1,0,0,1,0|2,0,0]=4 61 B12R1.1 COCCOC1=CC=C(N)C=C1 4087798 [0,2,0,0,0,0|2,0,0]=4 62 B12R1.1 NCCOCC1=CC=C(Cl)C=C1 4090731 [0,2,0,0,0,0|1,0,0]=3 63 B12R1.69 CC1=CC(C)=C(OCCN)C=C1 3001898 [0,2,0,0,0,0|1,0,0]=3 64 B12R1.71 CCC1=CC=C(OCCN)C=C1 3002940 [0,2,0,0,0,0|1,0,0]=3 65 B12R1.385 NCCOC1=CC(Cl)=C(Cl)C=C1 3005342 [0,2,0,0,0,0|1,0,0]=3 66 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 4088669 [0,2,0,0,0,0|0,0,1]=3 67 B12R1.113 CCCC1=CC=C(C(C)N)C=C1 3006607 [0,2,0,0,0,0|2,0,0]=4 68 B12R1.113 CNCC1=CC=C(C(=O)O)C=C1 4089273 [0,2,0,0,0,0|2,0,0]=4 69 B12R2.24 BrC1=CC=C2CCNCC2=C1 4002740 [0,1,0,1,0,0|1,0,0]=3 70 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 4087893 [0,1,0,1,0,0|1,0,1]=4 71 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 4090420 [0,1,0,1,0,0|2,0,0]=4 72 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 4088527 [0,1,0,1,0,0|2,0,0]=4 73 B12R2.44 OCC1=CC=C2CCNC2=N1 4038071 [0,1,0,1,0,0|1,0,0]=3 74 B8R1.8 NCCC1=CC=CO1 4087953 [1,0,0,0,1,0|1,0,0]=3 75 B8R1.8 NCCC1=CC=CS1 3020071 [1,0,0,0,1,0|1,0,0]=3 76 B8R1.8 NCCC1=CNN=C1 4087965 [1,0,0,0,1,0|2,0,0]=4 77 B8R1.8 NCCC1=CSC=N1 4090876 [1,0,0,0,1,0|2,0,0]=4 78 B8R1.8 NCCN1C=CN=C1 4090168 [1,0,0,0,1,0|2,0,0]=4 79 B8R1.8 NNCC1=CC=CS1 4088418 [1,0,0,0,1,0|2,0,0]=4 80 B8R1.8 OCCC1=CC=CO1 4039978 [1,0,0,0,1,0|2,0,0]=4