0 B10R1.1 CCCC1=CN=C(O)N=C1 ALBB-027663 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.1 CNCC1=CC=C(Br)C=C1 ALBB-021485 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.1 CNCC1=CC=C(Cl)N=C1 ALBB-012309 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.1 CNCC1=CC=C(O)C=C1 ALBB-004091 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.1 CSCC1=CC=C(Cl)N=C1 ALBB-013188 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.1 CC1=CC=C(CCl)C=N1 ALBB-030075 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.1 CC1=CC=C(CN)C=N1 ALBB-030077 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.1 CC1=CN=C(NN)C=C1 ALBB-033437 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.1 CCC1=CN=C(N)N=C1 ALBB-029926 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.1 CCC1=CN=C(O)N=C1 ALBB-017832 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.1 NCC1=CC=C(Cl)N=C1 ALBB-008885 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.1 NCC1=CC=C(Cl)N=C1 ALBB-008885 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.1 NNC1=CN=C(Cl)C=C1 ALBB-018233 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.1 NNC1=NC=C(Br)C=C1 ALBB-018629 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.1 NNC1=NC=C(F)C=C1 ALBB-018217 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.1 OCC1=CC=C(O)N=C1 ALBB-016810 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.8 CCNC1=CC=CN=C1 ALBB-028026 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.8 NCCC1=NC=CN=C1 ALBB-014355 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.8 NCCC1=NC=CN=C1 ALBB-014355 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.1 CC1=CC=C(CCCN)C=C1 ALBB-027049 [0,1,0,0,0,0|1,0,0]=2 20 B11R1.1 CC1=CC=C(CN=[N+]=[N-])C=C1 ALBB-014199 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.1 NCCCC1=CC=C(Cl)C=C1 ALBB-027052 [0,1,0,0,0,0|1,0,0]=2 22 B11R1.1 NCCCC1=CC=C(F)C=C1 ALBB-027050 [0,1,0,0,0,0|1,0,0]=2 23 B11R1.1 NCCOC1=CC=C(F)C=C1 ALBB-010371 [0,1,0,0,0,0|1,0,0]=2 24 B11R1.1 NCCOC1=CC=C(F)C=C1 ALBB-010371 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.1 NCCOC1=CC=C(N)C=C1 ALBB-010301 [0,1,0,0,0,0|1,0,0]=2 26 B11R1.22 NC(CO)C1=CC=C(F)C=C1 ALBB-013455 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 ALBB-028043 [0,1,0,0,0,0|1,0,1]=3 28 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 ALBB-025270 [0,1,0,0,0,0|1,0,2]=4 29 B11R1.81 NCCC1=CNC(=O)NC1=O ALBB-008906 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.83 COC1=CC=C(CNN)C=C1 ALBB-012491 [0,1,0,0,0,0|1,0,0]=2 31 B11R1.192 CCOC1=CC(N)=C(N)C=C1 ALBB-026815 [0,1,0,0,0,0|3,0,0]=4 32 B11R2.36 CC1=CC=C2C=NNC2=C1 ALBB-022768 [0,0,0,1,0,0|2,0,1]=4 33 B11R2.36 NC1=CC2=C(C=C1)NCC2 ALBB-007400 [0,0,0,1,0,0|3,0,0]=4 34 B11R2.36 OC1=CC=C2NC=NC2=C1 ALBB-022265 [0,0,0,1,0,0|1,0,2]=4 35 B9R1.7 CC1=CN(CCN)N=C1 ALBB-014651 [0,0,0,0,1,0|3,0,0]=4 36 B9R1.7 CC1=CN(CCN)N=C1 ALBB-014651 [0,0,0,0,1,0|3,0,0]=4 37 B9R1.7 CC1=CN=C(CCN)S1 ALBB-015222 [0,0,0,0,1,0|3,0,0]=4 38 B9R1.7 NCCC1=CSC(N)=N1 ALBB-018572 [0,0,0,0,1,0|3,0,0]=4 39 B8R1.2 NCC1=NC=CN=C1 ALBB-027348 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.2 NCC1=NC=CN=C1 ALBB-027348 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.2 NCC1=NC=NC=C1 ALBB-018328 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.3 CC1=CN=C(O)N=C1 ALBB-017833 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.3 OC1=CC=C(O)N=C1 ALBB-027307 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.13 CC(C)C1=CN=C(O)N=C1 ALBB-018586 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.25 CNC1=C(C)C=C(C)C=C1 ALBB-020240 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.25 NCC1=C(O)C=C(O)C=C1 ALBB-014856 [1,1,0,0,0,0|0,0,0]=2 47 B10R1.176 CCC1=CC(N)=C(O)C=C1 ALBB-010241 [1,1,0,0,0,0|0,0,0]=2 48 B10R1.4 CC1=CC=CC=C1CNN ALBB-012492 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.10 CC1=CC=CC(CCN)=N1 ALBB-014354 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.10 CNCC1=CC(O)=CC=C1 ALBB-004075 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.10 COCC1=CC=CC(N)=C1 ALBB-024619 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.10 NC1=CC=CC(CCO)=N1 ALBB-033070 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.10 NNCC1=CC(Cl)=CC=C1 ALBB-022670 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.15 CC(NN)C1=CC=CN=C1 ALBB-018062 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.15 CC(NN)C1=CC=NC=C1 ALBB-018061 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.17 BrCCCC1=CC=CN=C1 ALBB-021980 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.17 ClCCCC1=CC=NC=C1 ALBB-022002 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.17 NCCCC1=CC=NC=C1 ALBB-022001 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.18 N=C(N)CC1=CC=CC=C1 ALBB-033340 [1,1,0,0,0,0|0,0,1]=3 60 B10R1.18 N=C(N)CC1=CC=CN=C1 ALBB-004984 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.1 NCCOCC1=CC=C(Cl)C=C1 ALBB-023161 [0,2,0,0,0,0|1,0,0]=3 62 B12R1.71 COC1=CC=C(NCCN)C=C1 ALBB-012786 [0,2,0,0,0,0|0,0,0]=2 63 B12R1.4 CN(C)CC1=CC=C(CO)C=C1 ALBB-026958 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.113 CN(C)C1=CC=C(CCN)C=C1 ALBB-019156 [0,2,0,0,0,0|1,0,0]=3 65 B12R1.113 CN(C)C1=CC=C(CCN)C=C1 ALBB-019156 [0,2,0,0,0,0|1,0,0]=3 66 B12R1.116 CCNC1=CC=C(OCC)C=C1 ALBB-021064 [0,2,0,0,0,0|2,0,0]=4 67 B12R2.24 BrC1=CC=C2NCCCC2=C1 ALBB-010224 [0,1,0,1,0,0|2,0,0]=4 68 B12R2.24 BrC1=CC=C2NCCCC2=C1 ALBB-010224 [0,1,0,1,0,0|2,0,0]=4 69 B12R2.24 FC1=CC=C2NCCCC2=C1 ALBB-025508 [0,1,0,1,0,0|2,0,0]=4 70 B12R2.606 NC1=CC=C2CC(=O)NC2=C1 ALBB-024982 [0,1,0,1,0,0|1,0,1]=4 71 B12R2.606 O=C1NC2=CC(O)=CC=C2O1 ALBB-035589 [0,1,0,1,0,0|1,0,1]=4 72 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 ALBB-014859 [0,1,0,1,0,0|2,0,0]=4 73 B8R1.1 CC1=CC=C(CN)S1 ALBB-015179 [1,0,0,0,1,0|2,0,0]=4 74 B8R1.1 CCC1=CC(O)=NN1 ALBB-016424 [1,0,0,0,1,0|2,0,0]=4 75 B8R1.1 NCC1=CC=C(Br)S1 ALBB-026980 [1,0,0,0,1,0|2,0,0]=4 76 B8R1.8 NCCC1=CSC=C1 ALBB-015286 [1,0,0,0,1,0|1,0,0]=3 77 B8R1.8 NCCC1=CSC=N1 ALBB-031920 [1,0,0,0,1,0|2,0,0]=4 78 B8R1.8 NCCC1=NC=CN1 ALBB-013489 [1,0,0,0,1,0|2,0,0]=4 79 B8R1.8 NCCC1=NC=CS1 ALBB-005159 [1,0,0,0,1,0|2,0,0]=4 80 B8R1.8 NCCC1=NC=CS1 ALBB-005159 [1,0,0,0,1,0|2,0,0]=4 81 B8R1.8 NCCC1=NC=CS1 ALBB-005159 [1,0,0,0,1,0|2,0,0]=4 82 B8R1.8 NCCC1=NNC=C1 ALBB-018082 [1,0,0,0,1,0|2,0,0]=4 83 B8R1.8 NCCN1C=CC=N1 ALBB-008647 [1,0,0,0,1,0|2,0,0]=4 84 B8R1.8 NCCN1C=CC=N1 ALBB-008647 [1,0,0,0,1,0|2,0,0]=4