0 B10R1.10 CC1=CC=CC(CCN)=N1 ALBB-014354 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.10 CC1=CC=CC(\C=N\O)=N1 ALBB-023438 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.10 CCNC1=NC(C)=CC=C1 ALBB-028024 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.10 CNCC1=CC(O)=CC=C1 ALBB-004075 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.10 CNCC1=NC(C)=NC=C1 ALBB-015172 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.10 COCC1=CC=CC(N)=C1 ALBB-024619 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.10 N#CCC1=NC(Cl)=CC=C1 ALBB-032455 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.10 NC1=CC=CC(CCO)=N1 ALBB-033070 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.10 NNCC1=CC(Cl)=CC=C1 ALBB-022670 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.2 C=CC1=CC(O)=CC=C1 ALBB-026649 [1,0,0,0,0,0|1,0,2]=4 10 B9R1.2 CC1=CC=CC(CN)=N1 ALBB-027664 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.2 CC1=CC=CC(NN)=N1 ALBB-033444 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.2 CC1=NC=CC(CN)=N1 ALBB-015171 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.2 CCC1=CC=NC(N)=N1 ALBB-016460 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.2 CCC1=CC=NC(O)=N1 ALBB-016459 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.2 NNC1=NC(Br)=CC=C1 ALBB-014764 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.2 NNC1=NC(Br)=CC=C1 ALBB-014764 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.8 CCNC1=CC=CN=C1 ALBB-028026 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.8 NCCC1=NC=CN=C1 ALBB-014355 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.8 NCCC1=NC=CN=C1 ALBB-014355 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.13 CNCC1=CC=CN(C)C1=O ALBB-034596 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.24 CC1=CC=CC(CCCN)=C1 ALBB-027048 [0,1,0,0,0,0|0,0,0]=1 22 B11R1.24 CC1=CC=CC(CN=[N+]=[N-])=C1 ALBB-029848 [0,1,0,0,0,0|1,0,1]=3 23 B11R1.24 CCNCC1=NC(C)=NC=C1 ALBB-015173 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.24 NCCOC1=CC(Br)=CC=C1 ALBB-025488 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.157 CN(C)CC1=CC(S)=CC=C1 ALBB-015299 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.192 CCOC1=CC(N)=C(N)C=C1 ALBB-026815 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.192 CNCC1=CN(C)C(=O)C=C1 ALBB-034621 [0,1,0,0,0,0|3,0,0]=4 28 B11R2.36 CC1=CC=C2C=NNC2=C1 ALBB-022768 [0,0,0,1,0,0|3,0,0]=4 29 B11R2.36 ClC1=CC=C2NC=NC2=C1 ALBB-024654 [0,0,0,1,0,0|2,0,1]=4 30 B11R2.36 FC1=CC=C2NC=NC2=C1 ALBB-028794 [0,0,0,1,0,0|2,0,1]=4 31 B11R2.36 NC1=CC2=C(C=C1)NCC2 ALBB-007400 [0,0,0,1,0,0|1,0,0]=2 32 B11R2.36 OC1=CC=C2NC=NC2=C1 ALBB-022265 [0,0,0,1,0,0|2,0,1]=4 33 B11R2.106 CC1=C2N=NNC2=CC=C1 ALBB-005409 [0,0,0,1,0,0|2,0,1]=4 34 B11R2.106 CC1=C2NN=CC2=CC=C1 ALBB-006340 [0,0,0,1,0,0|1,0,1]=3 35 B9R1.7 CC1=CN(CCCl)N=C1 ALBB-027956 [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|2,0,0]=3 37 B9R1.7 CC1=CN(CCN)N=C1 ALBB-014651 [0,0,0,0,1,0|2,0,0]=3 38 B9R1.7 CC1=CN(CCO)N=C1 ALBB-027955 [0,0,0,0,1,0|3,0,0]=4 39 B9R1.7 CC1=CN=C(CCN)S1 ALBB-015222 [0,0,0,0,1,0|2,0,0]=3 40 B9R1.7 CC1=NC(CCN)=NN1 ALBB-033345 [0,0,0,0,1,0|3,0,0]=4 41 B9R1.7 CC1=NC(CCN)=NO1 ALBB-032740 [0,0,0,0,1,0|3,0,0]=4 42 B9R1.7 CC1=NN=C(CCN)S1 ALBB-014447 [0,0,0,0,1,0|3,0,0]=4 43 B9R1.7 CC1=NOC(CCN)=N1 ALBB-010127 [0,0,0,0,1,0|3,0,0]=4 44 B9R1.7 CN1C=C(CCBr)C=N1 ALBB-021481 [0,0,0,0,1,0|3,0,0]=4 45 B9R1.7 CN1C=C(CCCl)C=N1 ALBB-028852 [0,0,0,0,1,0|3,0,0]=4 46 B9R1.7 CN1C=C(CCO)C=N1 ALBB-014918 [0,0,0,0,1,0|3,0,0]=4 47 B9R1.7 NCCC1=CSC(N)=N1 ALBB-018572 [0,0,0,0,1,0|3,0,0]=4 48 B9R1.33 CC1=C(CCN)N=CN1 ALBB-030504 [0,0,0,0,1,0|2,0,0]=3 49 B9R1.33 CC1=C(CCN)SC=N1 ALBB-015196 [0,0,0,0,1,0|2,0,0]=3 50 B9R1.33 CC1=NC=CN1CCBr ALBB-013474 [0,0,0,0,1,0|3,0,0]=4 51 B9R1.33 CC1=NC=CN1CCN ALBB-010783 [0,0,0,0,1,0|2,0,0]=3 52 B9R1.33 CC1=NC=CN1CCO ALBB-017810 [0,0,0,0,1,0|3,0,0]=4 53 B9R1.33 CC1=NC=CN1CCO ALBB-017810 [0,0,0,0,1,0|3,0,0]=4 54 B9R1.33 CN1C=CN=C1CCN ALBB-015244 [0,0,0,0,1,0|2,0,0]=3 55 B9R1.33 CN1N=CC=C1CCN ALBB-021667 [0,0,0,0,1,0|2,0,0]=3 56 B8R1.2 NCC1=NC=CN=C1 ALBB-027348 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.2 NCC1=NC=CN=C1 ALBB-027348 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.2 NCC1=NC=NC=C1 ALBB-018328 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.2 CN1C=CC=C(CN)C1=O ALBB-034620 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.30 CCC1=C(O)C=CC(C)=N1 ALBB-019184 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.30 CCC1=C(O)C=CC(C)=N1 ALBB-019184 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.113 CC(N)C1=CC=CC(O)=C1 ALBB-019157 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.172 CCC1=NC=CC(CN)=N1 ALBB-015175 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.172 NCC1=CC(CO)=CC=C1 ALBB-022272 [1,1,0,0,0,0|0,0,0]=2 65 B10R1.172 NCC1=CC(CO)=CC=C1 ALBB-022272 [1,1,0,0,0,0|0,0,0]=2 66 B10R1.176 CCC1=CC(N)=C(O)C=C1 ALBB-010241 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.1 CNCC1=CC=C(Br)C=C1 ALBB-021485 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.1 CNCC1=CC=C(O)C=C1 ALBB-004091 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.4 CC1=CC=CC=C1CNN ALBB-012492 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.15 CC(NN)C1=CC=CN=C1 ALBB-018062 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.15 CC(NN)C1=CC=NC=C1 ALBB-018061 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.17 BrCCCC1=CC=CN=C1 ALBB-021980 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.17 ClCCCC1=CC=NC=C1 ALBB-022002 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.17 NCCCC1=CC=NC=C1 ALBB-022001 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.18 N=C(N)CC1=CC=CC=C1 ALBB-033340 [1,1,0,0,0,0|0,0,1]=3 76 B10R1.18 N=C(N)CC1=CC=CN=C1 ALBB-004984 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.14 CC1=NN(C(C)CN)C=C1 ALBB-021598 [0,1,0,0,1,0|2,0,0]=4 78 B10R1.16 CC1=CN(CCCN)N=C1 ALBB-004068 [0,1,0,0,1,0|2,0,0]=4 79 B10R1.16 CN1C=C(CCCN)C=N1 ALBB-014221 [0,1,0,0,1,0|2,0,0]=4 80 B10R1.16 CNCCC1=CN(C)N=C1 ALBB-014219 [0,1,0,0,1,0|2,0,0]=4 81 B10R1.54 CC1=CN(CC(C)N)N=C1 ALBB-021589 [0,1,0,0,1,0|2,0,0]=4 82 B10R1.54 CC1=NN(CC(C)N)C=C1 ALBB-007046 [0,1,0,0,1,0|2,0,0]=4 83 B10R1.130 CC1=CC(C)=NN1CCN ALBB-005254 [0,1,0,0,1,0|2,0,0]=4 84 B10R1.130 CC1=CC(C)=NN1CCN ALBB-005254 [0,1,0,0,1,0|2,0,0]=4 85 B10R1.130 CC1=CC(C)=NN1CCN ALBB-005254 [0,1,0,0,1,0|2,0,0]=4 86 B10R1.130 CC1=CC(C)=NN1CCN ALBB-005254 [0,1,0,0,1,0|2,0,0]=4 87 B10R1.5 CCC1=NC=CN1CCN ALBB-016350 [0,1,0,0,1,0|2,0,0]=4 88 B10R1.5 CCN1N=CC=C1CCN ALBB-018570 [0,1,0,0,1,0|2,0,0]=4 89 B10R1.29 CN1C=CN=C1CCCN ALBB-016259 [0,1,0,0,1,0|2,0,0]=4 90 B10R1.29 CNCCN1C=CN=C1C ALBB-022652 [0,1,0,0,1,0|2,0,0]=4 91 B10R1.64 CC(N)CC1=CC=NN1C ALBB-021668 [0,1,0,0,1,0|2,0,0]=4 92 B12R1.544 CN1C(=O)N=CC(CCN)=C1O ALBB-008903 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.367 CC1=C(C)C=C(C(=O)NN)C=C1 ALBB-021345 [0,2,0,0,0,0|1,0,1]=4 94 B12R1.435 COC1=CC(C(=O)CN)=CC=C1 ALBB-028093 [0,2,0,0,0,0|0,0,1]=3 95 B12R1.226 CC(C)NCC1=CC(F)=CC=C1 ALBB-015148 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.374 CC1=CC=C(C)C(CN=[N+]=[N-])=C1 ALBB-029849 [0,2,0,0,0,0|1,0,1]=4 97 B12R1.382 COC1=CC=CC(CCCN)=C1 ALBB-027053 [0,2,0,0,0,0|0,0,0]=2 98 B12R1.438 CN(C)CC1=CC(CN)=CC=C1 ALBB-015113 [0,2,0,0,0,0|2,0,0]=4 99 B12R2.82 CC1=CC=C2NC=NC2=C1C ALBB-028796 [0,1,0,1,0,0|1,0,1]=4 100 B12R2.1081 OC1=C2CCNCC2=CC=C1 ALBB-029016 [0,1,0,1,0,0|2,0,0]=4 101 B12R2.24 BrC1=CC=C2NCCCC2=C1 ALBB-010224 [0,1,0,1,0,0|1,0,0]=3 102 B12R2.24 BrC1=CC=C2NCCCC2=C1 ALBB-010224 [0,1,0,1,0,0|1,0,0]=3 103 B12R2.24 FC1=CC=C2NCCCC2=C1 ALBB-025508 [0,1,0,1,0,0|1,0,0]=3 104 B12R2.606 CC1=CC2=C(C=C1)N=C(N)O2 ALBB-012408 [0,1,0,1,0,0|1,0,1]=4 105 B12R2.606 CC1=CC=C2NC(Cl)=NC2=C1 ALBB-016175 [0,1,0,1,0,0|1,0,1]=4 106 B12R2.606 CC1=CC=C2NC(N)=NC2=C1 ALBB-012403 [0,1,0,1,0,0|1,0,1]=4 107 B12R2.606 CC1=CC=C2OC(N)=NC2=C1 ALBB-024676 [0,1,0,1,0,0|1,0,1]=4 108 B12R2.44 COC1=CC=C2NC=NC2=C1 ALBB-022267 [0,1,0,1,0,0|1,0,1]=4 109 B12R2.44 NCC1=CC2=C(C=C1)NC=C2 ALBB-004777 [0,1,0,1,0,0|0,0,2]=4 110 B12R2.44 NCC1=CC2=C(C=C1)NC=C2 ALBB-004777 [0,1,0,1,0,0|0,0,2]=4 111 B12R2.44 NCC1=CC=C2NCCC2=C1 ALBB-013525 [0,1,0,1,0,0|0,0,0]=2 112 B12R2.100 CC1=CC2=C(C=C1N)OCO2 ALBB-025243 [0,1,0,1,0,0|2,0,0]=4 113 B8R1.1 CC1=CC(CN)=NO1 ALBB-000275 [1,0,0,0,1,0|2,0,0]=4 114 B8R1.1 CC1=CC(CN)=NO1 ALBB-000275 [1,0,0,0,1,0|2,0,0]=4 115 B8R1.1 CC1=CC=C(CN)S1 ALBB-015179 [1,0,0,0,1,0|1,0,0]=3 116 B8R1.1 CC1=CSC(CN)=N1 ALBB-015194 [1,0,0,0,1,0|2,0,0]=4 117 B8R1.1 CC1=CSC(CN)=N1 ALBB-015194 [1,0,0,0,1,0|2,0,0]=4 118 B8R1.1 CC1=NOC(CN)=C1 ALBB-009856 [1,0,0,0,1,0|2,0,0]=4 119 B8R1.1 CC1=NOC(CN)=C1 ALBB-009856 [1,0,0,0,1,0|2,0,0]=4 120 B8R1.1 CCC1=NN(C)C=C1 ALBB-018405 [1,0,0,0,1,0|2,0,0]=4 121 B8R1.1 CCC1=NNC(C)=C1 ALBB-028825 [1,0,0,0,1,0|2,0,0]=4 122 B8R1.1 CCN1C=CC(C)=N1 ALBB-004444 [1,0,0,0,1,0|2,0,0]=4 123 B8R1.1 CCN1C=NC(C)=C1 ALBB-032105 [1,0,0,0,1,0|2,0,0]=4 124 B8R1.1 CN1C=C(CN)C=N1 ALBB-000007 [1,0,0,0,1,0|2,0,0]=4 125 B8R1.1 CN1C=C(CN)C=N1 ALBB-000007 [1,0,0,0,1,0|2,0,0]=4 126 B8R1.1 CN1C=C(CN)C=N1 ALBB-000007 [1,0,0,0,1,0|2,0,0]=4 127 B8R1.1 CN1C=CC(CN)=N1 ALBB-021649 [1,0,0,0,1,0|2,0,0]=4 128 B8R1.1 NCC1=CC=C(Br)S1 ALBB-026980 [1,0,0,0,1,0|2,0,0]=4 129 B8R1.11 CC1=C(CN)C=NN1 ALBB-016330 [1,0,0,0,1,0|2,0,0]=4 130 B8R1.11 CC1=C(CN)C=NN1 ALBB-016330 [1,0,0,0,1,0|2,0,0]=4 131 B8R1.11 CC1=C(CN)NC=N1 ALBB-016498 [1,0,0,0,1,0|2,0,0]=4 132 B8R1.11 CC1=C(CN)NC=N1 ALBB-016498 [1,0,0,0,1,0|2,0,0]=4 133 B8R1.11 CC1=C(CN)SC=N1 ALBB-015197 [1,0,0,0,1,0|2,0,0]=4 134 B8R1.11 CCC1=CC=NN1C ALBB-018404 [1,0,0,0,1,0|2,0,0]=4 135 B8R1.11 CCN1C=NC=C1C ALBB-032104 [1,0,0,0,1,0|2,0,0]=4 136 B8R1.11 CCN1N=CC=C1C ALBB-004437 [1,0,0,0,1,0|2,0,0]=4 137 B8R1.11 CN1C=CC=C1CN ALBB-012806 [1,0,0,0,1,0|1,0,0]=3 138 B8R1.11 CN1N=CC=C1CN ALBB-021540 [1,0,0,0,1,0|2,0,0]=4 139 B8R1.8 NCCC1=CSC=C1 ALBB-015286 [1,0,0,0,1,0|1,0,0]=3 140 B8R1.8 NCCC1=CSC=N1 ALBB-031920 [1,0,0,0,1,0|2,0,0]=4 141 B8R1.8 NCCC1=NC=CN1 ALBB-013489 [1,0,0,0,1,0|2,0,0]=4 142 B8R1.8 NCCC1=NC=CS1 ALBB-005159 [1,0,0,0,1,0|2,0,0]=4 143 B8R1.8 NCCC1=NC=CS1 ALBB-005159 [1,0,0,0,1,0|2,0,0]=4 144 B8R1.8 NCCC1=NC=CS1 ALBB-005159 [1,0,0,0,1,0|2,0,0]=4 145 B8R1.8 NCCC1=NNC=C1 ALBB-018082 [1,0,0,0,1,0|2,0,0]=4 146 B8R1.8 NCCN1C=CC=N1 ALBB-008647 [1,0,0,0,1,0|2,0,0]=4 147 B8R1.8 NCCN1C=CC=N1 ALBB-008647 [1,0,0,0,1,0|2,0,0]=4