0 B10R1.1 CC1=CC=C(N=S=O)C=C1 ALBB-026545 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.1 CC1=CC=C(N=[N+]=[N-])C=C1 ALBB-032791 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.1 CCNC1=CC=C(C)C=C1 ALBB-020221 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.1 CCNC1=CC=C(C)C=C1 ALBB-020221 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.1 CCNC1=CC=C(F)C=C1 ALBB-012136 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.1 CCSC1=CC=C(N)C=C1 ALBB-023460 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.1 CNCC1=CC=C(C)C=C1 ALBB-027040 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.1 CNCC1=CC=C(Cl)C=C1 ALBB-027043 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.1 CNCC1=CC=C(F)C=C1 ALBB-034856 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.1 O=C=NC1=CC=C(Br)C=C1 ALBB-003027 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.1 O=C=NC1=CC=C(F)C=C1 ALBB-007519 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.1 O=S=NC1=CC=C(Br)C=C1 ALBB-026567 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.1 O=S=NC1=CC=C(Cl)C=C1 ALBB-026535 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.1 O\N=C\C1=CC=C(Cl)C=C1 ALBB-013672 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.1 [N-]=[N+]=NC1=CC=C(Br)C=C1 ALBB-032807 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.1 [N-]=[N+]=NC1=CC=C(Cl)C=C1 ALBB-032801 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.1 [N-]=[N+]=NC1=CC=C(F)C=C1 ALBB-032796 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.1 CC1=CC=C(CO)C=N1 ALBB-030074 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.1 ClCC1=CC=C(Cl)N=C1 ALBB-016819 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.1 NCC1=CC=C(N)C=C1 ALBB-025554 [1,0,0,0,0,0|1,0,0]=2 20 B9R1.1 NCC1=CC=C(O)C=C1 ALBB-004114 [1,0,0,0,0,0|0,0,0]=1 21 B9R1.1 NNC1=CC=C(Br)C=C1 ALBB-024948 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.1 NNC1=CC=C(Br)C=C1 ALBB-024948 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.1 NNC1=CC=C(Cl)C=C1 ALBB-005982 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.1 NNC1=CC=C(Cl)C=C1 ALBB-005982 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.1 NNC1=CC=C(I)C=C1 ALBB-024947 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.8 BrCCC1=NC=CC=C1 ALBB-016283 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.8 CNCC1=NC=CC=C1 ALBB-013360 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.8 CNCC1=NC=CC=C1 ALBB-013360 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.8 N#CCC1=CC=CN=C1 ALBB-009272 [1,0,0,0,0,0|1,0,2]=4 30 B9R1.8 N#CCC1=NC=CC=C1 ALBB-008917 [1,0,0,0,0,0|1,0,2]=4 31 B9R1.8 NCCC1=CC=CN=C1 ALBB-006042 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.8 NCCC1=CC=NC=C1 ALBB-000247 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.8 NCCC1=CC=NC=C1 ALBB-000247 [1,0,0,0,0,0|1,0,0]=2 34 B9R1.8 NCCC1=NC=CC=C1 ALBB-006016 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.8 NNCC1=CC=CC=C1 ALBB-029808 [1,0,0,0,0,0|1,0,0]=2 36 B9R1.8 OCCC1=NC=CC=C1 ALBB-020942 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.8 OCCC1=NC=CN=C1 ALBB-026379 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.1 C=CCOC1=CC=C(Br)C=C1 ALBB-026697 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.1 C=CCOC1=CC=C(O)C=C1 ALBB-034494 [0,1,0,0,0,0|1,0,1]=3 40 B11R1.1 CC1=CC=C(CN=C=O)C=C1 ALBB-007534 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.1 CC1=CC=C(CNC#N)C=C1 ALBB-014572 [0,1,0,0,0,0|1,0,2]=4 42 B11R1.1 CC1=CC=C(OCCN)C=C1 ALBB-010246 [0,1,0,0,0,0|1,0,0]=2 43 B11R1.1 CC1=CC=C(OCCN)C=C1 ALBB-010246 [0,1,0,0,0,0|1,0,0]=2 44 B11R1.1 CC1=CC=C(SCCN)C=C1 ALBB-013039 [0,1,0,0,0,0|1,0,0]=2 45 B11R1.1 CCCOC1=CC=C(N)C=C1 ALBB-025751 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.1 CCCOC1=CC=C(N)C=C1 ALBB-025751 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.1 N#CCCN1C=CC(=O)C=C1 ALBB-026302 [0,1,0,0,0,0|1,0,2]=4 48 B11R1.1 N#CCOC1=CC=C(F)C=C1 ALBB-026303 [0,1,0,0,0,0|1,0,2]=4 49 B11R1.1 N#CNCC1=CC=C(F)C=C1 ALBB-014568 [0,1,0,0,0,0|1,0,2]=4 50 B11R1.1 NCCOC1=CC=C(Br)C=C1 ALBB-010367 [0,1,0,0,0,0|1,0,0]=2 51 B11R1.1 NCCOC1=CC=C(Cl)C=C1 ALBB-025709 [0,1,0,0,0,0|1,0,0]=2 52 B11R1.1 NCCOC1=CC=C(Cl)C=C1 ALBB-025709 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.1 NCCSC1=CC=C(Cl)C=C1 ALBB-005188 [0,1,0,0,0,0|1,0,0]=2 54 B11R1.1 NCCSC1=CC=C(Cl)C=C1 ALBB-005188 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.1 [N-]=[N+]=NCC1=CC=C(Cl)C=C1 ALBB-028901 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.1 [N-]=[N+]=NCC1=CC=C(F)C=C1 ALBB-012315 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.20 CC(C)NC1=CC=C(O)C=C1 ALBB-034567 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.20 CC(C)OC1=CC=C(Br)C=C1 ALBB-005493 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.20 CC1=CC=C(CC(N)=S)C=C1 ALBB-034272 [0,1,0,0,0,0|1,0,1]=3 60 B11R1.20 CN(C)CC1=CC=C(Br)C=C1 ALBB-026956 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.22 CCC(N)C1=CC=C(C)C=C1 ALBB-001475 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 ALBB-002128 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.22 CCN(C)C1=CC=C(N)C=C1 ALBB-032294 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.22 CNC(C)C1=CC=C(F)C=C1 ALBB-004046 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 ALBB-024415 [0,1,0,0,0,0|1,0,1]=3 66 B11R1.22 NCC(O)C1=CC=C(O)C=C1 ALBB-025791 [0,1,0,0,0,0|0,0,0]=1 67 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 ALBB-001058 [0,1,0,0,0,0|1,0,1]=3 68 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 ALBB-031762 [0,1,0,0,0,0|1,0,1]=3 69 B11R1.22 O=C(CO)C1=CC=C(F)C=C1 ALBB-036263 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.81 CCOC1=CC=C(Br)C=C1N ALBB-026275 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.81 CCSC1=CC=C(Cl)C=C1N ALBB-025982 [0,1,0,0,0,0|3,0,0]=4 72 B11R1.81 N#CCC1=C(Cl)C=C(Br)C=C1 ALBB-030436 [0,1,0,0,0,0|1,0,2]=4 73 B11R1.81 O\N=C\C1=C(O)C=C(O)C=C1 ALBB-012927 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.83 CCNC1=CC=C(CC)C=C1 ALBB-024705 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.83 CCNC1=CC=C(CC)C=C1 ALBB-024705 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.83 CCOC1=CC=C(CN)C=C1 ALBB-005371 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.83 CCOC1=CC=C(CN)C=C1 ALBB-005371 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.83 CCOC1=CC=C(NN)C=C1 ALBB-005926 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.83 CNCC1=CC=C(OC)C=C1 ALBB-027042 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.83 COC1=CC=C(N=C=O)C=C1 ALBB-007514 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.83 COC1=CC=C(N=S=O)C=C1 ALBB-026522 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.83 COC1=CC=C(\C=N\O)C=C1 ALBB-023277 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.192 CCNC1=CC(C)=C(C)C=C1 ALBB-012134 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.192 CCOC1=CC=C(N)C(F)=C1 ALBB-023590 [0,1,0,0,0,0|3,0,0]=4 85 B11R2.36 CC1=CC2=C(C=CN2)C=C1 ALBB-005930 [0,0,0,1,0,0|1,0,2]=4 86 B11R2.36 ClC1=CC2=C(C=CN2)C=C1 ALBB-006051 [0,0,0,1,0,0|1,0,2]=4 87 B11R2.36 NC1=CC=C2C=NNC2=C1 ALBB-036522 [0,0,0,1,0,0|2,0,1]=4 88 B9R1.7 CC1=CSC(CCN)=N1 ALBB-031513 [0,0,0,0,1,0|3,0,0]=4 89 B8R1.2 ClCC1=CN=CC=C1 ALBB-005975 [2,0,0,0,0,0|2,0,0]=4 90 B8R1.2 NNC1=CC=CN=C1 ALBB-013724 [2,0,0,0,0,0|2,0,0]=4 91 B8R1.2 NNC1=CC=NC=C1 ALBB-013879 [2,0,0,0,0,0|2,0,0]=4 92 B8R1.2 OCC1=CC=NC=C1 ALBB-021945 [2,0,0,0,0,0|2,0,0]=4 93 B8R1.3 CC1=CC=C(O)N=N1 ALBB-012104 [2,0,0,0,0,0|2,0,0]=4 94 B8R1.3 NC1=CC=C(I)C=N1 ALBB-005297 [2,0,0,0,0,0|2,0,0]=4 95 B8R1.3 NC1=NC=C(F)C=C1 ALBB-006132 [2,0,0,0,0,0|2,0,0]=4 96 B10R1.3 CNC1=CC=C(OC)C=C1 ALBB-025697 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.3 COC1=CC=C(NN)C=C1 ALBB-016395 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.3 COC1=CC=C(NN)C=C1 ALBB-016395 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.3 CSC1=CC=C(CN)C=C1 ALBB-005369 [1,1,0,0,0,0|0,1,0]=3 100 B10R1.3 N#CC1=CC=C(CBr)C=C1 ALBB-012220 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.3 N#CC1=CC=C(CN)C=C1 ALBB-035117 [1,1,0,0,0,0|1,0,0]=3 102 B10R1.3 NCC1=CC=C(CO)C=C1 ALBB-014308 [1,1,0,0,0,0|0,0,0]=2 103 B10R1.13 CC(N)C1=CC=C(Br)C=C1 ALBB-012237 [1,1,0,0,0,0|1,0,0]=3 104 B10R1.13 CC(N)C1=CC=C(Br)C=C1 ALBB-012237 [1,1,0,0,0,0|1,0,0]=3 105 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 ALBB-002133 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.13 CC(N)C1=CC=C(F)C=C1 ALBB-002132 [1,1,0,0,0,0|1,0,0]=3 107 B10R1.13 CC(O)C1=CC=C(Br)C=C1 ALBB-026428 [1,1,0,0,0,0|1,0,0]=3 108 B10R1.13 CC1=CC=C(C(C)N)C=C1 ALBB-001514 [1,1,0,0,0,0|1,0,0]=3 109 B10R1.13 CC1=CC=C(C(C)N)C=C1 ALBB-001514 [1,1,0,0,0,0|1,0,0]=3 110 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 ALBB-006572 [1,1,0,0,0,0|1,0,1]=4 111 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 ALBB-006572 [1,1,0,0,0,0|1,0,1]=4 112 B10R1.25 CC1=CC(C)=C(NN)C=C1 ALBB-006071 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.25 COC1=C(I)C=C(N)C=C1 ALBB-024699 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.25 COC1=C(O)C=C(O)C=C1 ALBB-013787 [1,1,0,0,0,0|1,0,0]=3 115 B10R1.25 FC1=C(CCl)C=CC(Br)=C1 ALBB-006035 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.25 FC1=CC(F)=C(CCl)C=C1 ALBB-006038 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.25 NCC1=CC=C(F)C=C1Cl ALBB-005343 [1,1,0,0,0,0|1,0,0]=3 118 B10R1.176 CC1=C(C)C=C(CCl)C=C1 ALBB-006052 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.176 CC1=C(C)C=C(CN)C=C1 ALBB-005349 [1,1,0,0,0,0|1,0,0]=3 120 B10R1.176 CC1=CC=C(NN)C=C1C ALBB-005974 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.176 CC1=CC=C(NN)C=C1Cl ALBB-025723 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.176 CCC1=CC(Cl)=C(O)C=C1 ALBB-032446 [1,1,0,0,0,0|0,0,0]=2 123 B10R1.176 COC1=CC(Br)=C(C)C=C1 ALBB-035106 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.176 COC1=CC(N)=C(O)C=C1 ALBB-018182 [1,1,0,0,0,0|1,0,0]=3 125 B10R1.176 COC1=CC=C(N)C(F)=C1 ALBB-023592 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.176 COC1=CC=C(N)C(N)=C1 ALBB-006147 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.176 N#CC1=CC(N)=C(O)C=C1 ALBB-025748 [1,1,0,0,0,0|0,0,2]=4 128 B10R1.176 NC1=C(N)C=C(CO)C=C1 ALBB-035103 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.176 NCC1=CC(Cl)=C(F)C=C1 ALBB-005342 [1,1,0,0,0,0|1,0,0]=3 130 B10R1.176 O=CC1=CC(F)=C(O)C=C1 ALBB-006384 [1,1,0,0,0,0|1,0,1]=4 131 B10R1.176 OCC1=CC(Br)=C(O)C=C1 ALBB-016067 [1,1,0,0,0,0|1,0,0]=3 132 B10R1.4 CCNC1=CC=CC=C1C ALBB-033822 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.4 CCNC1=CC=CC=C1N ALBB-016491 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.4 CNCC1=CC=CC=C1C ALBB-013357 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.4 CNCC1=CC=CC=C1C ALBB-013357 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.4 N#CCC1=C(Cl)C=CC=C1 ALBB-016811 [1,1,0,0,0,0|0,0,2]=4 137 B10R1.4 NNCC1=CC=CC=C1Cl ALBB-016407 [1,1,0,0,0,0|1,0,0]=3 138 B10R1.4 NNCC1=CC=CC=C1Cl ALBB-016407 [1,1,0,0,0,0|1,0,0]=3 139 B10R1.10 CCNC1=CC(C)=CC=C1 ALBB-020271 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.10 CCNC1=CC(Cl)=CC=C1 ALBB-012137 [1,1,0,0,0,0|2,0,0]=4 141 B10R1.15 CCC(N)C1=CC=CC=C1 ALBB-001474 [1,1,0,0,0,0|1,0,0]=3 142 B10R1.15 CNC(C)C1=CC=CC=C1 ALBB-016485 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.15 OC(CBr)C1=CC=CC=C1 ALBB-030701 [1,1,0,0,0,0|1,0,0]=3 144 B10R1.17 BrCCOC1=CC=CC=C1 ALBB-031662 [1,1,0,0,0,0|1,0,0]=3 145 B10R1.17 C=CCNC1=CC=CC=C1 ALBB-032919 [1,1,0,0,0,0|1,0,1]=4 146 B10R1.17 CCCNC1=CC=CC=C1 ALBB-023698 [1,1,0,0,0,0|1,0,0]=3 147 B10R1.17 CNCCC1=CC=NC=C1 ALBB-006043 [1,1,0,0,0,0|1,0,0]=3 148 B10R1.17 CNCCC1=CC=NC=C1 ALBB-006043 [1,1,0,0,0,0|1,0,0]=3 149 B10R1.17 NCCOC1=CC=CC=C1 ALBB-027086 [1,1,0,0,0,0|0,0,0]=2 150 B10R1.17 NCCOC1=CC=CC=C1 ALBB-027086 [1,1,0,0,0,0|0,0,0]=2 151 B10R1.17 NCCSC1=CC=CC=C1 ALBB-005184 [1,1,0,0,0,0|0,0,0]=2 152 B10R1.17 NCCSC1=CC=CC=C1 ALBB-005184 [1,1,0,0,0,0|0,0,0]=2 153 B10R1.17 NCCSC1=NC=CC=C1 ALBB-011926 [1,1,0,0,0,0|1,0,0]=3 154 B10R1.17 NCCSC1=NC=CC=C1 ALBB-011926 [1,1,0,0,0,0|1,0,0]=3 155 B10R1.17 O=C=NCC1=CC=CC=C1 ALBB-007528 [1,1,0,0,0,0|1,0,1]=4 156 B10R1.17 OCCCC1=CC=NC=C1 ALBB-025787 [1,1,0,0,0,0|2,0,0]=4 157 B10R1.18 CC(N)CC1=NC=CN=C1 ALBB-014356 [1,1,0,0,0,0|2,0,0]=4 158 B10R1.18 CC(O)CC1=NC=CC=C1 ALBB-014213 [1,1,0,0,0,0|2,0,0]=4 159 B10R1.18 NC(=S)CC1=CC=CC=C1 ALBB-024310 [1,1,0,0,0,0|0,0,1]=3 160 B12R1.1 C=CCNCC1=CC=C(F)C=C1 ALBB-034859 [0,2,0,0,0,0|2,0,0]=4 161 B12R1.1 CC1=CC=C(CNCCN)C=C1 ALBB-007191 [0,2,0,0,0,0|1,0,0]=3 162 B12R1.1 CC1=CC=C(CSCCN)C=C1 ALBB-027068 [0,2,0,0,0,0|1,0,0]=3 163 B12R1.1 CC1=CC=C(OCCC#N)C=C1 ALBB-024085 [0,2,0,0,0,0|1,0,1]=4 164 B12R1.1 CCCCSC1=CC=C(N)C=C1 ALBB-025986 [0,2,0,0,0,0|2,0,0]=4 165 B12R1.1 CCCCSC1=CC=C(N)C=C1 ALBB-025986 [0,2,0,0,0,0|2,0,0]=4 166 B12R1.1 COCCOC1=CC=C(Br)C=C1 ALBB-016264 [0,2,0,0,0,0|2,0,0]=4 167 B12R1.1 COCCOC1=CC=C(N)C=C1 ALBB-003692 [0,2,0,0,0,0|2,0,0]=4 168 B12R1.1 COCCOC1=CC=C(N)C=C1 ALBB-003692 [0,2,0,0,0,0|2,0,0]=4 169 B12R1.1 NCCSCC1=CC=C(Cl)C=C1 ALBB-027072 [0,2,0,0,0,0|1,0,0]=3 170 B12R1.16 CNCC(=O)C1=CC=C(O)C=C1 ALBB-025985 [0,2,0,0,0,0|0,0,1]=3 171 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 ALBB-025740 [0,2,0,0,0,0|0,0,0]=2 172 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 ALBB-015146 [0,2,0,0,0,0|2,0,0]=4 173 B12R1.21 CC1=CC=C(OCC(C)N)C=C1 ALBB-027082 [0,2,0,0,0,0|1,0,0]=3 174 B12R1.21 CN(C)CCC1=CC=C(N)C=C1 ALBB-030423 [0,2,0,0,0,0|1,0,0]=3 175 B12R1.21 N=C(N)SCC1=CC=C(Cl)C=C1 ALBB-023139 [0,2,0,0,0,0|1,0,1]=4 176 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 ALBB-008744 [0,2,0,0,0,0|1,0,1]=4 177 B12R1.21 NC(=O)CSC1=CC=C(N)C=C1 ALBB-029905 [0,2,0,0,0,0|1,0,1]=4 178 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 ALBB-029466 [0,2,0,0,0,0|2,0,0]=4 179 B12R1.49 CC1=CC=C(CC(=O)NN)C=C1 ALBB-007085 [0,2,0,0,0,0|1,0,1]=4 180 B12R1.49 CNC(=O)CC1=CC=C(Br)C=C1 ALBB-022754 [0,2,0,0,0,0|1,0,1]=4 181 B12R1.49 NNC(=O)CC1=CC=C(Br)C=C1 ALBB-001041 [0,2,0,0,0,0|1,0,1]=4 182 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 ALBB-001040 [0,2,0,0,0,0|1,0,1]=4 183 B12R1.49 NNC(=O)CC1=CC=C(F)C=C1 ALBB-020997 [0,2,0,0,0,0|1,0,1]=4 184 B12R1.49 NNC(=O)CC1=CC=C(O)C=C1 ALBB-002667 [0,2,0,0,0,0|0,0,1]=3 185 B12R1.69 CC1=C(OCCN)C=CC(Cl)=C1 ALBB-010286 [0,2,0,0,0,0|1,0,0]=3 186 B12R1.69 CC1=CC(C)=C(OCCN)C=C1 ALBB-010319 [0,2,0,0,0,0|1,0,0]=3 187 B12R1.69 CC1=CC(C)=C(OCCN)C=C1 ALBB-010319 [0,2,0,0,0,0|1,0,0]=3 188 B12R1.69 CC1=CC=C(OCCN)C(Br)=C1 ALBB-010302 [0,2,0,0,0,0|1,0,0]=3 189 B12R1.69 NCCOC1=C(Cl)C=C(F)C=C1 ALBB-031740 [0,2,0,0,0,0|1,0,0]=3 190 B12R1.71 CCC1=CC=C(OCCN)C=C1 ALBB-010257 [0,2,0,0,0,0|1,0,0]=3 191 B12R1.71 CCCOC1=CC=C(C=O)C=C1 ALBB-007503 [0,2,0,0,0,0|1,0,1]=4 192 B12R1.71 CCCOC1=CC=C(CN)C=C1 ALBB-007576 [0,2,0,0,0,0|2,0,0]=4 193 B12R1.71 COC1=CC=C(CCCN)C=C1 ALBB-027054 [0,2,0,0,0,0|0,0,0]=2 194 B12R1.71 COC1=CC=C(OCCN)C=C1 ALBB-010255 [0,2,0,0,0,0|0,0,0]=2 195 B12R1.71 CSC1=CC=C(OCCN)C=C1 ALBB-025438 [0,2,0,0,0,0|0,1,0]=3 196 B12R1.71 O=CC1=CC=C(OCCO)C=C1 ALBB-030135 [0,2,0,0,0,0|1,0,1]=4 197 B12R1.71 OCCOC1=CC=C(CO)C=C1 ALBB-030136 [0,2,0,0,0,0|1,0,0]=3 198 B12R1.385 CC1=C(Cl)C=CC(OCCN)=C1 ALBB-025634 [0,2,0,0,0,0|1,0,0]=3 199 B12R1.385 CC1=CC=C(OCCN)C=C1C ALBB-010199 [0,2,0,0,0,0|1,0,0]=3 200 B12R1.385 CC1=CC=C(OCCN)C=C1C ALBB-010199 [0,2,0,0,0,0|1,0,0]=3 201 B12R1.385 NCCOC1=CC(Cl)=C(Cl)C=C1 ALBB-010431 [0,2,0,0,0,0|1,0,0]=3 202 B12R1.385 NCCOC1=CC(Cl)=C(F)C=C1 ALBB-031749 [0,2,0,0,0,0|1,0,0]=3 203 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 ALBB-020960 [0,2,0,0,0,0|1,0,0]=3 204 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 ALBB-028499 [0,2,0,0,0,0|0,0,1]=3 205 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 ALBB-002126 [0,2,0,0,0,0|2,0,0]=4 206 B12R1.367 NNC(=O)C1=CC=C(O)C(Cl)=C1 ALBB-032098 [0,2,0,0,0,0|1,0,1]=4 207 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 ALBB-019715 [0,2,0,0,0,0|1,0,1]=4 208 B12R1.367 O=C(CCl)C1=CC=C(O)C(Cl)=C1 ALBB-012174 [0,2,0,0,0,0|1,0,1]=4 209 B12R1.1703 CCC(N)C1=C(C)C=C(C)C=C1 ALBB-002125 [0,2,0,0,0,0|2,0,0]=4 210 B12R1.1703 NNC(=O)C1=CC=C(O)C=C1O ALBB-002499 [0,2,0,0,0,0|1,0,1]=4 211 B12R1.113 CCCC1=CC=C(C(C)N)C=C1 ALBB-001484 [0,2,0,0,0,0|2,0,0]=4 212 B12R1.113 CNCC1=CC=C(C(=O)O)C=C1 ALBB-016167 [0,2,0,0,0,0|2,0,0]=4 213 B12R1.113 CNCC1=CC=C(C(=O)O)C=C1 ALBB-016167 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.113 COCC1=CC=C(C(=O)O)C=C1 ALBB-029711 [0,2,0,0,0,0|2,0,0]=4 215 B12R1.113 OC(=O)C1=CC=C(OCC)C=C1 ALBB-035122 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.286 CCCC1=CC=C(O)C(OC)=C1 ALBB-032237 [0,2,0,0,0,0|1,0,0]=3 217 B12R2.24 NC1=CC2=C(C=C1)CCCC2 ALBB-025795 [0,1,0,1,0,0|2,0,0]=4 218 B12R2.24 NC1=CC2=C(C=C1)OCCO2 ALBB-032933 [0,1,0,1,0,0|2,0,0]=4 219 B12R2.24 OC1=CC2=C(C=C1)OCCO2 ALBB-033350 [0,1,0,1,0,0|1,0,0]=3 220 B12R2.606 NC1=NC2=CC=C(O)C=C2S1 ALBB-005802 [0,1,0,1,0,0|1,0,1]=4 221 B12R2.606 NC1=NC2=CC=C(O)C=C2S1 ALBB-005802 [0,1,0,1,0,0|1,0,1]=4 222 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 ALBB-021329 [0,1,0,1,0,0|1,0,1]=4 223 B12R2.44 COC1=CC2=C(C=C1)OCO2 ALBB-025073 [0,1,0,1,0,0|2,0,0]=4 224 B12R2.44 OCC1=CC2=C(C=CN2)C=C1 ALBB-004775 [0,1,0,1,0,0|0,0,2]=4 225 B12R2.100 CC1=CC2=C(C=C1O)OCO2 ALBB-026445 [0,1,0,1,0,0|2,0,0]=4 226 B8R1.1 CC1=CC=C(CN)O1 ALBB-005350 [1,0,0,0,1,0|2,0,0]=4 227 B8R1.8 NCCC1=CC=CO1 ALBB-005426 [1,0,0,0,1,0|1,0,0]=3 228 B8R1.8 NCCC1=CC=CO1 ALBB-005426 [1,0,0,0,1,0|1,0,0]=3 229 B8R1.8 NCCC1=CNC=N1 ALBB-005968 [1,0,0,0,1,0|2,0,0]=4 230 B8R1.8 NCCC1=CNC=N1 ALBB-005968 [1,0,0,0,1,0|2,0,0]=4 231 B8R1.8 NCCC1=CNN=C1 ALBB-011869 [1,0,0,0,1,0|2,0,0]=4 232 B8R1.8 NCCC1=CNN=C1 ALBB-011869 [1,0,0,0,1,0|2,0,0]=4 233 B8R1.8 NCCN1C=CC=C1 ALBB-021662 [1,0,0,0,1,0|1,0,0]=3 234 B8R1.8 NCCN1C=CN=C1 ALBB-012920 [1,0,0,0,1,0|2,0,0]=4 235 B8R1.8 NCCN1C=CN=C1 ALBB-012920 [1,0,0,0,1,0|2,0,0]=4