0 B10R1.17 C=CCNC1=CC=CN=C1 6927AD [0,0,0,0,0,0|3,0,0]=3 1 B10R1.17 C=CCNC1=CC=NC=C1 8332AC [0,0,0,0,0,0|3,0,0]=3 2 B10R1.17 CCCCC1=CC=NC=C1 Y9365 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.17 CCCCC1=NC=CC=C1 S413 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.17 CCNCC1=CC=CN=C1 Y5832 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.17 CNCCC1=CC=NC=C1 5552AE [0,0,0,0,0,0|3,0,0]=3 6 B10R1.17 CNCCC1=CC=NC=C1 5553AE [0,0,0,0,0,0|3,0,0]=3 7 B10R1.17 CNCCC1=CC=NC=C1 X8552 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.17 N#CCCC1=CC=CC=N1 1449AE [0,0,0,0,0,0|2,0,1]=3 9 B10R1.17 N#CCCC1=CC=NC=C1 2937AC [0,0,0,0,0,0|2,0,1]=3 10 B10R1.17 NCC#CC1=CC=CC=C1 1105AQ [0,0,0,0,0,0|1,0,3]=4 11 B10R1.17 NCCCC1=CC=CC=N1 7820AA [0,0,0,0,0,0|2,0,1]=3 12 B10R1.17 NCCCC1=CC=CN=C1 X2118 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.17 NCCCC1=CC=NC=C1 2037AJ [0,0,0,0,0,0|2,0,1]=3 14 B10R1.17 NCCNC1=CC=CN=C1 4424AJ [0,0,0,0,0,0|3,0,1]=4 15 B10R1.17 NCCOC1=CC=NC=C1 1280AJ [0,0,0,0,0,0|3,0,1]=4 16 B10R1.17 NCCOC1=CC=NC=C1 2194AB [0,0,0,0,0,0|3,0,1]=4 17 B10R1.17 NCCSC1=CC=CC=C1 6800AD [0,0,0,0,0,0|2,0,1]=3 18 B10R1.17 NCCSC1=CC=CC=N1 3135AE [0,0,0,0,0,0|3,0,1]=4 19 B10R1.17 O=CCOC1=CC=CC=C1 0811AB [0,0,0,0,0,0|1,0,0]=1 20 B10R1.17 O=CNNC1=CC=CC=C1 9369AB [0,0,0,0,0,0|2,0,0]=2 21 B10R1.17 OCCCC1=CCC=CC1 X3903 [0,0,0,0,0,0|0,0,4]=4 22 B10R1.17 OCCSC1=CC=CC=C1 K990 [0,0,0,0,0,0|1,0,2]=3 23 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 Z6329 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.17 [N-]=[N+]=NCC1=CC=CC=N1 6614AE [0,0,0,0,0,0|4,0,0]=4 25 B9R1.8 BrCCC1=CC=CC=N1 5125AB [1,0,0,0,0,0|2,0,0]=3 26 B9R1.8 CCC[N+]1=CC=CC=C1 4961AL [1,0,0,0,0,0|1,0,1]=3 27 B9R1.8 CCC[N+]1=CC=CC=C1 K559 [1,0,0,0,0,0|1,0,1]=3 28 B9R1.8 CNCC1=CC=CC=C1 3855AD [1,0,0,0,0,0|1,0,1]=3 29 B9R1.8 CNCC1=CC=CC=N1 0916AP [1,0,0,0,0,0|2,0,1]=4 30 B9R1.8 CNCC1=CC=CC=N1 7146AD [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 CNCC1=CC=NC=C1 7436AH [1,0,0,0,0,0|2,0,1]=4 32 B9R1.8 CNNC1=CC=CC=C1 V2456 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.8 C\C=C\C1=CC=CC=C1 7209AE [1,0,0,0,0,0|1,0,1]=3 34 B9R1.8 ClCCC1=NC=CC=C1 X6257 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.8 N#CCC1=CC=NC=C1 Z9553 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.8 NCCC1=CC=CC=C1 5784AL [1,0,0,0,0,0|1,0,0]=2 37 B9R1.8 NCCC1=CN=CC=N1 1878AJ [1,0,0,0,0,0|3,0,0]=4 38 B9R1.8 NCCC1=NC=CC=N1 X3774 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.8 NCCC1=NC=CN=C1 Y9352 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.8 NOCC1=CC=CN=C1 7306AJ [1,0,0,0,0,0|3,0,0]=4 41 B9R1.8 O=C=NC1=CC=CN=C1 Y9342 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.8 O=CNC1=NC=CC=C1 1807AL [1,0,0,0,0,0|2,0,0]=3 43 B9R1.8 OCCC1=CN=CN=C1 W8980 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.8 SCCC1=CC=NC=C1 9519AJ [1,0,0,0,0,0|1,1,0]=3 45 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 3482AH [1,0,0,0,0,0|1,0,1]=3 46 B11R1.1 C=CCCC1=CC=C(C)C=C1 6965AD [0,1,0,0,0,0|1,0,0]=2 47 B11R1.1 C=CCOC1=CC=C(N)C=C1 5430AD [0,1,0,0,0,0|2,0,0]=3 48 B11R1.1 CC1=CC=C(CN=[N+]=[N-])C=C1 5559AD [0,1,0,0,0,0|3,0,0]=4 49 B11R1.1 CC1=CC=C(NCCO)C=C1 9296AD [0,1,0,0,0,0|1,0,2]=4 50 B11R1.1 CC1=CC=C(OCCBr)C=C1 V3999 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.1 CC1=CC=C(OCCCl)C=C1 7057AD [0,1,0,0,0,0|2,0,1]=4 52 B11R1.1 CCCCC1=CC=C(C)C=C1 Z2332 [0,1,0,0,0,0|1,0,1]=3 53 B11R1.1 CCCCC1=CC=C(Cl)N=C1 6440AA [0,1,0,0,0,0|2,0,1]=4 54 B11R1.1 CCCCC1=CN=C(C)C=C1 5821AH [0,1,0,0,0,0|2,0,1]=4 55 B11R1.1 CCNCC1=CC=C(N)C=C1 7272AJ [0,1,0,0,0,0|2,0,1]=4 56 B11R1.1 CCNCC1=CC=C(O)C=C1 6053AJ [0,1,0,0,0,0|2,0,1]=4 57 B11R1.1 CNCCC1=CC=C(Br)C=C1 V7496 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.1 CNCCC1=CC=C(N)C=C1 X8249 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.1 ClCCCC1=CC=C(Br)C=C1 Y9960 [0,1,0,0,0,0|1,0,1]=3 60 B11R1.1 FC1=CC=C(CCCBr)C=C1 V4639 [0,1,0,0,0,0|1,0,1]=3 61 B11R1.1 FCCOC1=CC=C(Br)C=C1 V5244 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.1 N#CCOC1=CC=C(F)C=C1 8133AD [0,1,0,0,0,0|2,0,1]=4 63 B11R1.1 NC1=CC=C(CCCO)C=C1 7207AA [0,1,0,0,0,0|0,0,2]=3 64 B11R1.1 NCCCC1=CC=C(F)C=C1 3289AD [0,1,0,0,0,0|1,0,1]=3 65 B11R1.1 NCCCC1=CC=C(F)C=C1 7357AC [0,1,0,0,0,0|1,0,1]=3 66 B11R1.1 NCCCC1=CC=C(N)C=C1 9266AB [0,1,0,0,0,0|1,0,1]=3 67 B11R1.1 NCCNC1=CC=C(Cl)C=C1 4194AD [0,1,0,0,0,0|2,0,1]=4 68 B11R1.1 NCCNC1=CC=C(F)C=C1 4360AJ [0,1,0,0,0,0|2,0,1]=4 69 B11R1.1 O=CNCC1=CC=C(Cl)C=C1 3648AL [0,1,0,0,0,0|1,0,0]=2 70 B11R1.1 OCCCC1=CC=C(Br)N=C1 0074AC [0,1,0,0,0,0|1,0,2]=4 71 B11R1.1 OCCCC1=CC=C(F)C=C1 V7380 [0,1,0,0,0,0|0,0,2]=3 72 B11R1.1 [N-]=[N+]=NCC1=CC=C(F)C=C1 5092AD [0,1,0,0,0,0|3,0,0]=4 73 B11R1.16 C#CCC(N)C1=CC=CC=C1 2882AA [0,1,0,0,0,0|1,0,1]=3 74 B11R1.16 CC(CCN)C1=CC=CC=C1 2059AE [0,1,0,0,0,0|1,0,1]=3 75 B11R1.16 CCCC(N)C1=CN=CC=C1 4944AJ [0,1,0,0,0,0|2,0,1]=4 76 B11R1.16 CCCC(N)C1=NC=CC=C1 5079AC [0,1,0,0,0,0|2,0,1]=4 77 B11R1.16 CCNC(C)C1=CC=CC=C1 7343AC [0,1,0,0,0,0|2,0,1]=4 78 B11R1.16 CN(CCN)C1=CC=CC=C1 3619AL [0,1,0,0,0,0|2,0,1]=4 79 B11R1.16 CNCC(C)C1=CC=CC=C1 3764AF [0,1,0,0,0,0|2,0,0]=3 80 B11R1.16 CNCC(C)C1=CC=CC=C1 6409AE [0,1,0,0,0,0|2,0,0]=3 81 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 V8983 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.16 COC[C@H](N)C1=CC=CC=C1 V7107 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.16 C\C=C\C(=O)C1=CC=CC=C1 6705AB [0,1,0,0,0,0|1,0,2]=4 84 B11R1.16 ClCCC(Br)C1=CC=CC=C1 V4390 [0,1,0,0,0,0|1,0,1]=3 85 B11R1.16 N#CCC(N)C1=NC=CC=C1 Z9347 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.16 NCC[C@@H](O)C1=CC=CC=C1 8991AH [0,1,0,0,0,0|1,0,1]=3 87 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 9158AH [0,1,0,0,0,0|1,0,1]=3 88 B11R1.17 C=CCNC1=NC=CC=C1N 8458AC [0,1,0,0,0,0|3,0,0]=4 89 B11R1.17 C=CCOC1=C(C)C=CC=C1 7034AL [0,1,0,0,0,0|2,0,0]=3 90 B11R1.17 C=CCOC1=CC=CC=C1N 1709AE [0,1,0,0,0,0|2,0,0]=3 91 B11R1.17 C=CCOC1=CC=CC=C1N 8907AD [0,1,0,0,0,0|2,0,0]=3 92 B11R1.17 CC1=C(CN=C=S)C=CC=C1 5365AD [0,1,0,0,0,0|1,1,1]=4 93 B11R1.17 CC1=C(CN=[N+]=[N-])C=CC=C1 3406AD [0,1,0,0,0,0|3,0,0]=4 94 B11R1.17 CC1=C(NCCO)C=CC=C1 4010AD [0,1,0,0,0,0|1,0,2]=4 95 B11R1.17 CC1=C(OCCCl)C=CC=C1 7182AD [0,1,0,0,0,0|2,0,1]=4 96 B11R1.17 CC1=CC=CC=C1OCCBr 9799AA [0,1,0,0,0,0|2,0,1]=4 97 B11R1.17 CCCCC1=C(N)C=CC=C1 5551AL [0,1,0,0,0,0|1,0,1]=3 98 B11R1.17 CCCNC1=C(Cl)C=CC=C1 5500AE [0,1,0,0,0,0|2,0,1]=4 99 B11R1.17 CCCOC1=CC=CC=C1N 3820AE [0,1,0,0,0,0|2,0,1]=4 100 B11R1.17 ClC1=CC=CC=C1CCCBr V6557 [0,1,0,0,0,0|1,0,1]=3 101 B11R1.17 FC1=CC=CC=C1CCCBr Z9473 [0,1,0,0,0,0|1,0,1]=3 102 B11R1.17 N#CCCC1=C(N)C=CC=C1 8000AB [0,1,0,0,0,0|1,0,1]=3 103 B11R1.17 NC1=C(CCCO)C=CC=C1 8496AB [0,1,0,0,0,0|0,0,2]=3 104 B11R1.17 NC1=CC=CC=C1OCCBr V2926 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.17 NCCCN1C=CC=CC1=O 0650AA [0,1,0,0,0,0|2,0,1]=4 106 B11R1.17 NCCOC1=C(Cl)C=CC=C1 8744AD [0,1,0,0,0,0|2,0,1]=4 107 B11R1.17 NCCOC1=CC=CC=C1F Z8222 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.17 O=C\C=C\C1=CC=CC=C1F Z3547 [0,1,0,0,0,0|0,0,2]=3 109 B11R1.17 OCCCC1=CC=CC=C1Cl V6977 [0,1,0,0,0,0|0,0,2]=3 110 B11R1.17 [N-]=[N+]=NCC1=CC=CC=C1F 6867AE [0,1,0,0,0,0|3,0,0]=4 111 B11R1.24 C=CCCC1=CC=CC(Cl)=C1 2995AF [0,1,0,0,0,0|1,0,0]=2 112 B11R1.24 C=CCOC1=CC(N)=CC=C1 7698AC [0,1,0,0,0,0|2,0,0]=3 113 B11R1.24 CC1=CC(CCCO)=CC=C1 3205AH [0,1,0,0,0,0|0,0,2]=3 114 B11R1.24 CC1=CC(CN=C=O)=CC=C1 C935 [0,1,0,0,0,0|1,0,1]=3 115 B11R1.24 CC1=CC(OCCBr)=CC=C1 7438AE [0,1,0,0,0,0|2,0,1]=4 116 B11R1.24 CC1=CC=CC(CSC#N)=C1 1828AE [0,1,0,0,0,0|2,0,1]=4 117 B11R1.24 CC1=CC=CC(OCCO)=C1 5007AL [0,1,0,0,0,0|1,0,2]=4 118 B11R1.24 CCCCC1=CC=CC(N)=N1 Y4830 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.24 CCCNC1=CC(C)=CC=C1 4247AD [0,1,0,0,0,0|2,0,1]=4 120 B11R1.24 CCCNC1=CC(Cl)=CC=C1 9833AD [0,1,0,0,0,0|2,0,1]=4 121 B11R1.24 CCCOC1=CC=CC(N)=C1 3821AE [0,1,0,0,0,0|2,0,1]=4 122 B11R1.24 CNCCC1=CC=CC(F)=C1 V6333 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.24 ClC1=CC(CCCBr)=CC=C1 V8963 [0,1,0,0,0,0|1,0,1]=3 124 B11R1.24 N#CCCC1=CC=CC(Br)=C1 1944AE [0,1,0,0,0,0|1,0,1]=3 125 B11R1.24 NCCCC1=CC=CC(Cl)=C1 HTS033081 [0,1,0,0,0,0|1,0,1]=3 126 B11R1.24 NCCOC1=CC=CC(F)=C1 Z8223 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.24 O=C=NCC1=CC=CC(F)=C1 7636AC [0,1,0,0,0,0|1,0,1]=3 128 B11R1.24 O=CCCC1=CC=CC(Cl)=C1 3971AD [0,1,0,0,0,0|0,0,0]=1 129 B11R1.24 O=CCCC1=CC=CC(F)=C1 1852AB [0,1,0,0,0,0|0,0,0]=1 130 B11R1.24 O=C\C=C\C1=CC=CC(Br)=C1 W3315 [0,1,0,0,0,0|0,0,2]=3 131 B11R1.24 O=C\C=C\C1=CC=CC(Br)=C1 Z3561 [0,1,0,0,0,0|0,0,2]=3 132 B11R1.24 O=C\C=C\C1=CC=CC(Cl)=C1 Z3562 [0,1,0,0,0,0|0,0,2]=3 133 B11R1.24 O=C\C=C\C1=CC=CC(F)=C1 Z3565 [0,1,0,0,0,0|0,0,2]=3 134 B11R1.24 OCCCC1=CC=CC(Cl)=C1 V4535 [0,1,0,0,0,0|0,0,2]=3 135 B11R1.28 C=CCC#CC1=CC=CC=C1 1010AQ [0,1,0,0,0,0|1,0,1]=3 136 B11R1.28 C=CCOBrC1=CC=CC=C1 X5225 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.28 CCOCCC1=NC=CC=C1 Y8563 [0,1,0,0,0,0|2,0,1]=4 138 B11R1.28 CNCCCC1=CC=CC=C1 1600AB [0,1,0,0,0,0|1,0,1]=3 139 B11R1.28 ClCCCOC1=CC=CC=C1 0684AE [0,1,0,0,0,0|1,0,1]=3 140 B11R1.28 ClCCNCC1=CC=CC=C1 3046AE [0,1,0,0,0,0|1,0,1]=3 141 B11R1.28 ClCCNCC1=CC=CC=C1 7007AE [0,1,0,0,0,0|1,0,1]=3 142 B11R1.28 NCCCCC1=CC=CC=C1 9681AD [0,1,0,0,0,0|1,0,1]=3 143 B11R1.28 NOCOCC1=CC=CC=C1 2357AF [0,1,0,0,0,0|2,0,0]=3 144 B11R1.28 O=CCCCC1=CC=CC=C1 6150AD [0,1,0,0,0,0|0,0,0]=1 145 B11R1.28 OCCCCC1=CC=CN=C1 5963AJ [0,1,0,0,0,0|1,0,2]=4 146 B11R1.28 OCCCCC1=CC=NC=C1 5977AJ [0,1,0,0,0,0|1,0,2]=4 147 B11R1.28 OCCNCC1=CC=CC=N1 0192AC [0,1,0,0,0,0|1,0,2]=4 148 B11R1.28 S=C=NCCC1=CC=CC=C1 J70186 [0,1,0,0,0,0|0,1,1]=3 149 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y7506 [0,1,0,0,0,0|1,0,0]=2 150 B11R1.40 CC(CN)CC1=CC=CC=C1 2217AC [0,1,0,0,0,0|1,0,1]=3 151 B11R1.40 CC(CN)OC1=CC=CC=C1 Y9709 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.40 N#CC(Br)CC1=CC=CC=C1 V6952 [0,1,0,0,0,0|1,0,1]=3 153 B11R1.40 N#CC(F)SC1=CC=CC=C1 7940AL [0,1,0,0,0,0|2,0,1]=4 154 B11R1.40 N#CC(N)CC1=CC=CC=C1 V6584 [0,1,0,0,0,0|1,0,1]=3 155 B11R1.40 N#CC(N)CC1=CC=CC=C1 V9283 [0,1,0,0,0,0|1,0,1]=3 156 B11R1.91 CC(=N)NCC1=CC=CC=C1 1916AH [0,1,0,0,0,0|2,0,0]=3 157 B11R1.91 CC(=O)COC1=CC=CC=C1 X5334 [0,1,0,0,0,0|1,0,0]=2 158 B11R1.91 CC(=O)OCC1=CC=NC=C1 N216 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.91 CC(Cl)COC1=CC=CC=C1 4945AL [0,1,0,0,0,0|2,0,1]=4 160 B11R1.91 CC(N)COC1=CC=CC=C1 4356AB [0,1,0,0,0,0|2,0,1]=4 161 B11R1.91 N=C(N)CCC1=CC=CC=C1 8227AD [0,1,0,0,0,0|1,0,0]=2 162 B11R1.91 N=C(N)CSC1=CC=CC=C1 0460AF [0,1,0,0,0,0|2,0,0]=3 163 B11R1.91 N=C(N)\C=C\C1=CC=CC=C1 2381AJ [0,1,0,0,0,0|1,0,2]=4 164 B11R1.91 N=C(N)\C=C\C1=CC=CC=C1 2382AJ [0,1,0,0,0,0|1,0,2]=4 165 B11R1.91 NC(=O)CCC1=NC=CC=C1 5628AJ [0,1,0,0,0,0|1,0,0]=2 166 B11R1.91 NC(=[NH2+])SCC1=CC=CC=C1 AMTEC014 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.91 NC(N)=NCC1=CC=CC=C1 7568AD [0,1,0,0,0,0|2,0,0]=3 168 B11R1.91 O=C(Cl)CSC1=CC=NC=C1 E582 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.91 O=C(O)C#CC1=CC=CN=C1 5647AJ [0,1,0,0,0,0|1,0,2]=4 170 B11R1.91 O=C(O)C#CC1=NC=CC=C1 5629AJ [0,1,0,0,0,0|1,0,2]=4 171 B11R1.91 O=C(O)CCC1=NC=CC=N1 6060AB [0,1,0,0,0,0|2,0,0]=3 172 B11R1.91 O=C(O)COC1=CN=CC=C1 1038AF [0,1,0,0,0,0|2,0,0]=3 173 B11R1.91 O=C(O)CSC1=NC=CC=C1 7051AC [0,1,0,0,0,0|2,0,0]=3 174 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 8155AF [0,1,0,0,0,0|0,0,2]=3 175 B9R0.45 C=CCC\C=C\CCC=C 4643AL [0,0,1,0,0,0|1,0,2]=4 176 B11R2.1 BrC1=COC2=CC=CC=C12 Y9562 [0,0,0,1,0,0|2,0,1]=4 177 B11R2.1 BrC1=NOC2=C1C=CC=C2 5187AA [0,0,0,1,0,0|3,0,0]=4 178 B11R2.1 CC1=COC2=CC=CC=C12 W4465 [0,0,0,1,0,0|2,0,1]=4 179 B11R2.1 ClC1=COC2=CC=CC=C12 9647AB [0,0,0,1,0,0|2,0,1]=4 180 B11R2.1 ClC1=NOC2=C1C=CC=C2 W3544 [0,0,0,1,0,0|3,0,0]=4 181 B11R2.1 NC1=CSC2=CC=CC=C12 Y5306 [0,0,0,1,0,0|2,0,1]=4 182 B11R2.1 NC1=NCC2=C1C=CC=C2 V4519 [0,0,0,1,0,0|2,0,0]=3 183 B11R2.1 NC1CCC2=CC=CN=C21 3374AJ [0,0,0,1,0,0|2,0,1]=4 184 B11R2.1 NC1COC2=CC=CC=C21 1367AJ [0,0,0,1,0,0|2,0,1]=4 185 B11R2.1 NC1COC2=CC=CC=C21 4904AH [0,0,0,1,0,0|2,0,1]=4 186 B11R2.1 N[C@H]1COC2=C1C=CC=C2 1110AL [0,0,0,1,0,0|2,0,1]=4 187 B11R2.1 O=C1C=CC2=C1C=CC=C2 Y5096 [0,0,0,1,0,0|0,0,2]=3 188 B11R2.1 O=C1CCC2=C1C=CN=C2 4302AB [0,0,0,1,0,0|1,0,0]=2 189 B11R2.1 O=C1CCC2=C1C=NC=C2 W6676 [0,0,0,1,0,0|1,0,0]=2 190 B11R2.1 O=C1COC2=C1C=CC=N2 2516AB [0,0,0,1,0,0|2,0,0]=3 191 B11R2.1 O=C1COC2=C1C=CN=C2 1438AA [0,0,0,1,0,0|2,0,0]=3 192 B11R2.1 O=C1COC2=CN=CC=C12 4128AJ [0,0,0,1,0,0|2,0,0]=3 193 B11R2.1 O=C1NCC2=C1C=CN=C2 1363AJ [0,0,0,1,0,0|2,0,0]=3 194 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 C126 [0,0,0,1,0,0|0,0,2]=3 195 B11R2.1 O[C@H]1CCC2=CC=CN=C21 4628AC [0,0,0,1,0,0|1,0,2]=4 196 B11R2.4 NC1CC1C2=CC=CC=C2 2168AL [0,0,0,1,0,0|1,0,1]=3 197 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 8373AH [0,0,0,1,0,0|1,0,1]=3 198 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 8412AH [0,0,0,1,0,0|1,0,1]=3 199 B11R2.20 C1=CC2=C(C=C1)CNNC2 5003AJ [0,0,0,1,0,0|3,0,0]=4 200 B11R2.20 C1=CC2=C(C=C1)OCCN2 6903AC [0,0,0,1,0,0|1,0,2]=4 201 B11R2.20 C1=CC2=C(C=N1)CCCO2 5895AE [0,0,0,1,0,0|1,0,2]=4 202 B11R2.20 C1=CC2=C(C=N1)CCNC2 W5369 [0,0,0,1,0,0|3,0,0]=4 203 B11R2.20 C1=CC2=C(C=N1)CNCC2 X9919 [0,0,0,1,0,0|3,0,0]=4 204 B11R2.20 C1=CC2=C(CCNC2)N=C1 W8563 [0,0,0,1,0,0|3,0,0]=4 205 B11R2.20 C1=CC2=C(CNCC2)N=C1 Z4098 [0,0,0,1,0,0|3,0,0]=4 206 B11R2.20 C1=CC=C2CCN=CC2=C1 3596AB [0,0,0,1,0,0|2,0,0]=3 207 B11R2.20 C1=CC=C2N=NC=CC2=C1 8857AB [0,0,0,1,0,0|3,0,0]=4 208 B11R2.20 C1=CC=C2SCCNC2=C1 X7913 [0,0,0,1,0,0|1,1,1]=4 209 B11R2.20 C1=CN=C2CCCOC2=C1 8439AE [0,0,0,1,0,0|1,0,2]=4 210 B11R2.20 C1=CN=C2OCCCC2=C1 2080AJ [0,0,0,1,0,0|1,0,2]=4 211 B11R2.20 C1=NC=C2CCNCC2=C1 9567AH [0,0,0,1,0,0|3,0,0]=4 212 B11R2.20 C1=NC=C2CNCCC2=C1 6197AB [0,0,0,1,0,0|3,0,0]=4 213 B11R2.238 C1=CC=C(NC2CC2)C=C1 Z3373 [0,0,0,1,0,0|2,0,1]=4 214 B11R2.239 C1=CC(C2CNC2)=CC=N1 4510AA [0,0,0,1,0,0|3,0,0]=4 215 B11R2.239 C1=CC=C(C2CNC2)N=C1 0585AB [0,0,0,1,0,0|3,0,0]=4 216 B11R2.988 NCC1CC2=C1C=CC=C2 7180AC [0,0,0,1,0,0|1,0,1]=3 217 B9R1.12 CCCCC1=CC=CO1 5552AL [0,0,0,0,1,0|2,0,1]=4 218 B9R1.12 CNCCC1=CC=CS1 8340AC [0,0,0,0,1,0|3,0,0]=4 219 B9R1.12 NCCCC1=CC=CO1 3731AE [0,0,0,0,1,0|2,0,1]=4 220 B9R1.12 NCCCC1=CC=CS1 6482AE [0,0,0,0,1,0|2,0,1]=4 221 B9R1.12 O=C=NCC1=CC=CS1 8554AE [0,0,0,0,1,0|2,0,1]=4 222 B9R1.12 O=CCCN1C=CC=N1 5129AH [0,0,0,0,1,0|2,0,0]=3 223 B9R1.12 OCCCC1=CSC=C1 5648AJ [0,0,0,0,1,0|1,0,2]=4 224 B9R1.12 OCCCN1C=CC=C1 1412AL [0,0,0,0,1,0|1,0,2]=4 225 B8R1.2 Br[Se]C1=CC=CC=C1 8804AL [2,0,0,0,0,0|2,0,0]=4 226 B8R1.2 CC[N+]1=CC=CC=C1 E438 [2,0,0,0,0,0|1,0,0]=3 227 B8R1.2 FCC1=CC=NC=C1 2557AL [2,0,0,0,0,0|2,0,0]=4 228 B8R1.2 NCC1=CC=CC=C1 7149AL [2,0,0,0,0,0|1,0,0]=3 229 B8R1.2 NCC1=CC=NC=C1 Z3385 [2,0,0,0,0,0|2,0,0]=4 230 B8R1.2 O=CC1=CN=NC=C1 7044AB [2,0,0,0,0,0|2,0,0]=4 231 B8R1.2 O=CC1=NC=CC=N1 Y3220 [2,0,0,0,0,0|2,0,0]=4 232 B8R1.2 O=CC1=NC=CN=C1 X7048 [2,0,0,0,0,0|2,0,0]=4 233 B8R1.2 SCC1=CC=CN=C1 Z2753 [2,0,0,0,0,0|1,1,0]=4 234 B10R0.71 C=C\C=C\C=C\CCCCC 4500AL [0,1,1,0,0,0|1,0,1]=4 235 B10R1.1 BrC1=CC=C(CCI)C=C1 3237AC [1,1,0,0,0,0|1,0,0]=3 236 B10R1.1 C=CCC1=CC=C(Br)C=C1 7818AD [1,1,0,0,0,0|0,0,1]=3 237 B10R1.1 C=CCC1=CC=C(Cl)C=C1 5641AD [1,1,0,0,0,0|0,0,1]=3 238 B10R1.1 C=CCC1=CC=C(F)C=C1 0990AQ [1,1,0,0,0,0|0,0,1]=3 239 B10R1.1 CC1=CC=C(CCO)C=C1 X8365 [1,1,0,0,0,0|0,0,1]=3 240 B10R1.1 CC1=CC=C(NC=O)C=C1 6608AL [1,1,0,0,0,0|1,0,0]=3 241 B10R1.1 CCCC1=CC=C(C)C=C1 4911AL [1,1,0,0,0,0|0,0,1]=3 242 B10R1.1 CCCC1=CC=C(F)C=C1 2755AE [1,1,0,0,0,0|0,0,1]=3 243 B10R1.1 CCNC1=CC=C(C)C=C1 U343 [1,1,0,0,0,0|1,0,1]=4 244 B10R1.1 CCNC1=CC=C(F)C=C1 5502AB [1,1,0,0,0,0|1,0,1]=4 245 B10R1.1 CCNC1=CC=C(O)C=C1 0115AC [1,1,0,0,0,0|1,0,1]=4 246 B10R1.1 CNCC1=CC=C(O)C=C1 6057AJ [1,1,0,0,0,0|1,0,1]=4 247 B10R1.1 COCC1=CC=C(I)C=C1 5525AC [1,1,0,0,0,0|1,0,1]=4 248 B10R1.1 NCCC1=CC=C(Br)C=N1 1783AL [1,1,0,0,0,0|2,0,0]=4 249 B10R1.1 NCCC1=CC=C(Cl)C=C1 1166AJ [1,1,0,0,0,0|1,0,0]=3 250 B10R1.1 NNCC1=CC=C(F)C=C1 0826AC [1,1,0,0,0,0|2,0,0]=4 251 B10R1.1 NOCC1=CC=C(Br)C=C1 5547AB [1,1,0,0,0,0|2,0,0]=4 252 B10R1.1 NOCC1=CC=C(Cl)C=C1 X4802 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.4 BrCCC1=CC=CC=C1Br Z7172 [1,1,0,0,0,0|1,0,0]=3 254 B10R1.4 CC1=C(CCN)N=CC=C1 3182AC [1,1,0,0,0,0|2,0,0]=4 255 B10R1.4 CC1=CC=CC=C1CNN 4794AE [1,1,0,0,0,0|2,0,0]=4 256 B10R1.4 CCCC1=C(C)C=CC=C1 4903AL [1,1,0,0,0,0|0,0,1]=3 257 B10R1.4 CCCC1=C(N)C=CC=C1 P410 [1,1,0,0,0,0|0,0,1]=3 258 B10R1.4 CCOC1=CC=CC=C1N 8719AL [1,1,0,0,0,0|1,0,1]=4 259 B10R1.4 N#CCC1=C(O)C=CC=C1 7309AA [1,1,0,0,0,0|1,0,1]=4 260 B10R1.4 NCCC1=CC=CC=C1O Z4391 [1,1,0,0,0,0|1,0,0]=3 261 B10R1.4 NNCC1=CC=CC=C1Cl 4668AE [1,1,0,0,0,0|2,0,0]=4 262 B10R1.4 NOCC1=CC=CC=C1F 7325AD [1,1,0,0,0,0|2,0,0]=4 263 B10R1.4 NOCC1=CC=CC=C1I 3260AC [1,1,0,0,0,0|2,0,0]=4 264 B10R1.4 O=CCC1=CC=CC=C1F 1702AC [1,1,0,0,0,0|0,0,0]=2 265 B10R1.4 ONCC1=CC=CC=C1F Z3766 [1,1,0,0,0,0|1,0,1]=4 266 B10R1.10 C=CCC1=CC(Br)=CC=C1 6124AD [1,1,0,0,0,0|0,0,1]=3 267 B10R1.10 CC1=CC(CCBr)=CC=C1 0637AQ [1,1,0,0,0,0|1,0,0]=3 268 B10R1.10 CC1=CC=CC(CCO)=N1 Y4754 [1,1,0,0,0,0|1,0,1]=4 269 B10R1.10 CCCC1=CC(C)=CC=C1 4908AL [1,1,0,0,0,0|0,0,1]=3 270 B10R1.10 CCCC1=CC(N)=NC=C1 2922AJ [1,1,0,0,0,0|1,0,1]=4 271 B10R1.10 CCCC1=CC(O)=CC=N1 2583AA [1,1,0,0,0,0|1,0,1]=4 272 B10R1.10 CCCC1=CC=CC(N)=N1 5785AB [1,1,0,0,0,0|1,0,1]=4 273 B10R1.10 CCNC1=CC=CC(Cl)=C1 W3328 [1,1,0,0,0,0|1,0,1]=4 274 B10R1.10 CCNC1=CC=CC(O)=C1 W2908 [1,1,0,0,0,0|1,0,1]=4 275 B10R1.10 CCOC1=CC(S)=CC=C1 L529 [1,1,0,0,0,0|1,0,1]=4 276 B10R1.10 CNCC1=CC(O)=CC=C1 2952AD [1,1,0,0,0,0|1,0,1]=4 277 B10R1.10 N#CCC1=CC(O)=CC=C1 5340AH [1,1,0,0,0,0|1,0,1]=4 278 B10R1.10 NCCC1=CC=CC(Br)=N1 5436AB [1,1,0,0,0,0|2,0,0]=4 279 B10R1.10 NCCC1=NC(Br)=CC=C1 5025AA [1,1,0,0,0,0|2,0,0]=4 280 B10R1.10 NNCC1=CC(F)=CC=C1 4670AE [1,1,0,0,0,0|2,0,0]=4 281 B10R1.10 NOCC1=CC(Cl)=CC=C1 3026AB [1,1,0,0,0,0|2,0,0]=4 282 B10R1.10 O=C1C=C(CCO)C=CC1 V0891 [1,1,0,0,0,0|0,0,2]=4 283 B10R1.10 O=CNC1=NC=CC(Br)=C1 Z9862 [1,1,0,0,0,0|2,0,0]=4 284 B10R1.10 OCCC1=CC=NC(Cl)=C1 1041AJ [1,1,0,0,0,0|1,0,1]=4 285 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 4800AJ [1,1,0,0,0,0|0,0,2]=4 286 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 4836AJ [1,1,0,0,0,0|0,0,2]=4 287 B10R1.15 C=C(CC)C1=CC=CC=C1 0460AB [1,1,0,0,0,0|0,0,2]=4 288 B10R1.15 C=CC(=O)C1=CC=CC=C1 1968AC [1,1,0,0,0,0|0,0,2]=4 289 B10R1.15 CCC(Cl)C1=CC=CC=C1 1017AL [1,1,0,0,0,0|0,0,1]=3 290 B10R1.15 CCC(N)C1=CC=CC=C1 8188AD [1,1,0,0,0,0|0,0,1]=3 291 B10R1.15 CCC(N)C1=CC=CN=C1 4943AJ [1,1,0,0,0,0|1,0,1]=4 292 B10R1.15 CCC(N)C1=CC=CN=C1 4945AJ [1,1,0,0,0,0|1,0,1]=4 293 B10R1.15 CCC(N)C1=CC=NC=C1 4998AJ [1,1,0,0,0,0|1,0,1]=4 294 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 7435AJ [1,1,0,0,0,0|0,0,1]=3 295 B10R1.15 CC[C@H](O)C1=CC=CC=C1 7483AJ [1,1,0,0,0,0|0,0,1]=3 296 B10R1.15 CN[C@H](C)C1=CC=CC=C1 O017 [1,1,0,0,0,0|1,0,1]=4 297 B10R1.15 C[C@H](CN)C1=CC=CC=C1 U641 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.15 FC(CBr)C1=CC=CC=C1 9366AA [1,1,0,0,0,0|1,0,0]=3 299 B10R1.15 NC(CF)C1=CC=CC=C1 0514AQ [1,1,0,0,0,0|1,0,0]=3 300 B10R1.15 NC(CO)C1=CC=CN=C1 1473AJ [1,1,0,0,0,0|1,0,1]=4 301 B10R1.15 NC(CO)C1=CC=CN=C1 W5825 [1,1,0,0,0,0|1,0,1]=4 302 B10R1.15 NC(CO)C1=CC=NC=C1 1467AJ [1,1,0,0,0,0|1,0,1]=4 303 B10R1.15 NCC(N)C1=CC=CC=C1 8359AB [1,1,0,0,0,0|1,0,0]=3 304 B10R1.15 NCC(N)C1=CC=CC=C1 8461AA [1,1,0,0,0,0|1,0,0]=3 305 B10R1.15 NCC(O)C1=CC=CC=N1 1453AJ [1,1,0,0,0,0|2,0,0]=4 306 B10R1.15 NCC(O)C1=CC=CN=C1 5133AH [1,1,0,0,0,0|2,0,0]=4 307 B10R1.15 NCC(O)C1=CC=NC=C1 1457AJ [1,1,0,0,0,0|2,0,0]=4 308 B10R1.15 NCC(O)C1=NC=CC=C1 9384AJ [1,1,0,0,0,0|2,0,0]=4 309 B10R1.15 NC[C@H](O)C1=CC=CN=C1 Z3832 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.15 OC(CBr)C1=CC=CC=C1 W4218 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.18 BrC(Br)=CC1=CC=CC=C1 1551AC [1,1,0,0,0,0|1,0,1]=4 312 B10R1.18 CC(=O)CC1=CN=CC=C1 9974AH [1,1,0,0,0,0|1,0,0]=3 313 B10R1.18 CC(=O)CC1=NC=CN=C1 0450AC [1,1,0,0,0,0|2,0,0]=4 314 B10R1.18 CC(C)=CC1=CC=CC=C1 1982AC [1,1,0,0,0,0|1,0,1]=4 315 B10R1.18 CC(C)CC1=CC=NC=C1 6191AJ [1,1,0,0,0,0|1,0,1]=4 316 B10R1.18 CC(N)CC1=CC=CC=N1 4560AE [1,1,0,0,0,0|1,0,1]=4 317 B10R1.18 CC(N)CC1=CC=NC=C1 4587AH [1,1,0,0,0,0|1,0,1]=4 318 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 7881AA [1,1,0,0,0,0|0,0,1]=3 319 B10R1.18 N=C(N)CC1=CC=CC=C1 1942AB [1,1,0,0,0,0|1,0,0]=3 320 B10R1.18 N=C(N)CC1=NC=CC=C1 0398AD [1,1,0,0,0,0|2,0,0]=4 321 B10R1.18 O=C(O)CC1=CC=NC=N1 W5433 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.18 O=C(O)CC1=NC=CC=C1 Y7391 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.18 S=C(Cl)SC1=CC=CC=C1 5446AD [1,1,0,0,0,0|1,1,0]=4 324 B10R1.66 CC(=O)CCC1=CC=CO1 8369AE [0,1,0,0,1,0|1,0,0]=3 325 B10R1.66 CC(=O)CCN1C=CC=N1 2604AF [0,1,0,0,1,0|2,0,0]=4 326 B10R1.66 NC(=O)NCC1=CC=CO1 8875AB [0,1,0,0,1,0|2,0,0]=4 327 B10R1.66 O=C(O)CCC1=CC=CN1 X6372 [0,1,0,0,1,0|1,0,0]=3 328 B10R1.66 O=C(O)CCC1=CNC=N1 Y6981 [0,1,0,0,1,0|2,0,0]=4 329 B10R1.66 O=C(O)CCN1C=CN=C1 W4087 [0,1,0,0,1,0|2,0,0]=4 330 B10R1.66 O=C(O)CNC1=CSC=C1 Z5612 [0,1,0,0,1,0|2,0,0]=4 331 B12R1.1 CC1=CC=C(OCCCN)C=C1 4537AE [0,2,0,0,0,0|1,0,1]=4 332 B12R1.1 CNCCOC1=CC=C(Br)C=C1 9083AE [0,2,0,0,0,0|2,0,0]=4 333 B12R1.1 CNCCOC1=CC=C(C)C=C1 6914AE [0,2,0,0,0,0|2,0,0]=4 334 B12R1.1 CNCCOC1=CC=C(Cl)C=C1 0077AC [0,2,0,0,0,0|2,0,0]=4 335 B12R1.1 CNCCOC1=CC=C(F)C=C1 8149AC [0,2,0,0,0,0|2,0,0]=4 336 B12R1.1 CNCCOC1=CC=C(F)C=C1 8262AE [0,2,0,0,0,0|2,0,0]=4 337 B12R1.1 ClC1=CC=C(OCCCBr)C=C1 9050AD [0,2,0,0,0,0|1,0,1]=4 338 B12R1.1 FC1=CC=C(OCCCBr)C=C1 8982AC [0,2,0,0,0,0|1,0,1]=4 339 B12R1.1 N(CCC)CC1=CC=C(Cl)C=C1 5502AE [0,2,0,0,0,0|1,0,1]=4 340 B12R1.1 NCCCOC1=CC=C(Cl)C=C1 4535AE [0,2,0,0,0,0|1,0,1]=4 341 B12R1.1 NCCCOC1=CC=C(F)C=C1 Z7795 [0,2,0,0,0,0|1,0,1]=4 342 B12R1.1 OCCCCC1=CC=C(Br)C=C1 2484AJ [0,2,0,0,0,0|0,0,2]=4 343 B12R1.1 OCCNCC1=CC=C(F)C=C1 8610AC [0,2,0,0,0,0|0,0,2]=4 344 B12R1.1 OCCOCC1=CC=C(Cl)C=C1 0828AD [0,2,0,0,0,0|0,0,2]=4 345 B12R1.16 BrCCC(Br)C1=CC=C(Br)C=C1 8745AB [0,2,0,0,0,0|1,0,1]=4 346 B12R1.16 CC1=CC=C([C@H](N)CCO)C=C1 1218AL [0,2,0,0,0,0|0,0,2]=4 347 B12R1.16 ClC(CCBr)C1=CC=C(Br)C=C1 4041AB [0,2,0,0,0,0|1,0,1]=4 348 B12R1.16 ClC1=CC=C(C(Br)CCBr)C=C1 V4103 [0,2,0,0,0,0|1,0,1]=4 349 B12R1.16 NC(CCO)C1=CC=C(Br)C=C1 5784AJ [0,2,0,0,0,0|0,0,2]=4 350 B12R1.16 NC1=CC=C(C(N)CCO)C=C1 2347AL [0,2,0,0,0,0|0,0,2]=4 351 B12R1.16 NC1=CC=C([C@@H](N)CCO)C=C1 1318AL [0,2,0,0,0,0|0,0,2]=4 352 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 1295AL [0,2,0,0,0,0|0,0,2]=4 353 B12R1.16 N[C@H](CCO)C1=CC=C(Br)C=C1 4351AH [0,2,0,0,0,0|0,0,2]=4 354 B12R1.16 O=C\C=C(/Cl)C1=CC=C(Cl)C=C1 V8620 [0,2,0,0,0,0|0,0,2]=4 355 B12R1.21 C=C(Cl)CCC1=CC=C(Cl)C=C1 8896AE [0,2,0,0,0,0|1,0,0]=3 356 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 2186AC [0,2,0,0,0,0|0,0,0]=2 357 B12R1.21 CC(=O)CCC1=CC=C(Cl)C=C1 1146AE [0,2,0,0,0,0|0,0,0]=2 358 B12R1.21 CC(=O)NCC1=CC=C(Cl)N=C1 5859AD [0,2,0,0,0,0|2,0,0]=4 359 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 0915AF [0,2,0,0,0,0|1,0,0]=3 360 B12R1.21 CC(=O)\C=C\C1=CC=C(F)C=C1 8152AA [0,2,0,0,0,0|0,0,2]=4 361 B12R1.21 CC(O)CCC1=CC=C(O)C=C1 6197AL [0,2,0,0,0,0|0,0,2]=4 362 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 7457AD [0,2,0,0,0,0|1,0,0]=3 363 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 7458AD [0,2,0,0,0,0|1,0,0]=3 364 B12R1.21 CC1=CC=C(\C=C\C(=O)Cl)C=C1 3924AD [0,2,0,0,0,0|0,0,2]=4 365 B12R1.21 C[C@H](O)CCC1=CC=C(O)C=C1 9964AJ [0,2,0,0,0,0|0,0,2]=4 366 B12R1.21 N=C(N)COC1=CC=C(Cl)C=C1 6319AE [0,2,0,0,0,0|2,0,0]=4 367 B12R1.21 N=C(N)COC1=CC=C(F)C=C1 0097AE [0,2,0,0,0,0|2,0,0]=4 368 B12R1.21 N=C(N)COC1=CC=C(F)C=C1 1170AJ [0,2,0,0,0,0|2,0,0]=4 369 B12R1.21 NC(=[NH2+])SCC1=CC=C(Br)C=C1 AMTEC010 [0,2,0,0,0,0|2,0,0]=4 370 B12R1.21 NC(=[NH2+])SCC1=CC=C(F)C=C1 AMTEC009 [0,2,0,0,0,0|2,0,0]=4 371 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 W4673 [0,2,0,0,0,0|1,0,0]=3 372 B12R1.21 NC1=CC=C(SCC(=O)O)C=C1 8075AF [0,2,0,0,0,0|1,0,0]=3 373 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 7761AB [0,2,0,0,0,0|0,0,2]=4 374 B12R1.21 O=C(Cl)\C=C\C1=CC=C(Cl)C=C1 4346AF [0,2,0,0,0,0|0,0,2]=4 375 B12R1.21 O=C(O)C=CC1=CC=C(S)C=C1 2914AB [0,2,0,0,0,0|0,0,2]=4 376 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 O075 [0,2,0,0,0,0|1,0,0]=3 377 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 8063AF [0,2,0,0,0,0|1,0,0]=3 378 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 C822 [0,2,0,0,0,0|0,0,2]=4 379 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 6908AB [0,2,0,0,0,0|0,0,2]=4 380 B12R1.49 O=CC(Cl)CC1=CC=C(Cl)C=C1 Y6536 [0,2,0,0,0,0|0,0,0]=2 381 B12R1.69 FC1=CC(Br)=CC=C1CCCBr Z6823 [0,2,0,0,0,0|1,0,1]=4 382 B12R1.69 NCCCC1=C(Cl)C=C(F)C=C1 1956AE [0,2,0,0,0,0|1,0,1]=4 383 B12R1.69 NCCCC1=C(F)C=C(Cl)C=C1 1957AE [0,2,0,0,0,0|1,0,1]=4 384 B12R1.69 OCCCC1=CC=C(Br)C=C1F Z6821 [0,2,0,0,0,0|0,0,2]=4 385 B12R1.71 CCCCC1=CC=C(CBr)C=C1 6442AL [0,2,0,0,0,0|1,0,1]=4 386 B12R1.71 CCCCC1=CC=C(CO)C=C1 X4599 [0,2,0,0,0,0|1,0,1]=4 387 B12R1.71 COC1=CC=C(CN=C=O)C=C1 5757AE [0,2,0,0,0,0|1,0,1]=4 388 B12R1.71 N#CC1=CC=C(CCCO)C=C1 Z5162 [0,2,0,0,0,0|0,0,2]=4 389 B12R1.385 CCCCC1=CC=C(I)C(C)=C1 5845AD [0,2,0,0,0,0|1,0,1]=4 390 B12R1.385 CCCCC1=CC=C(O)C(O)=C1 Q179 [0,2,0,0,0,0|1,0,1]=4 391 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 9379AB [0,2,0,0,0,0|2,0,0]=4 392 B12R1.385 OCCCC1=CC=C(F)C(F)=C1 X7959 [0,2,0,0,0,0|0,0,2]=4 393 B12R1.17 CNCC(O)C1=CC(O)=CC=C1 7812AL [0,2,0,0,0,0|2,0,0]=4 394 B12R1.17 NC(CCO)C1=CC=CC(O)=C1 2190AL [0,2,0,0,0,0|0,0,2]=4 395 B12R1.17 N[C@@H](CCO)C1=CC=CC(F)=C1 1293AL [0,2,0,0,0,0|0,0,2]=4 396 B12R1.30 CCCCN(N)C1=CC=CC=C1 4924AL [0,2,0,0,0,0|1,0,1]=4 397 B12R1.30 C[C@@H](NCCO)C1=CC=CC=C1 2547AC [0,2,0,0,0,0|0,0,2]=4 398 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 1383AC [0,2,0,0,0,0|0,0,1]=3 399 B12R1.34 CC(C1=CC=CC=C1)C(N)CO HTS033199 [0,2,0,0,0,0|0,0,2]=4 400 B12R1.39 CC(C)(CCN)C1=CC=CC=C1 2338AJ [0,2,0,0,0,0|1,0,1]=4 401 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 3611AL [0,2,0,0,0,0|1,0,1]=4 402 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 W6216 [0,2,0,0,0,0|1,0,1]=4 403 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 X9200 [0,2,0,0,0,0|1,0,1]=4 404 B12R1.107 CC(CC(=O)O)C1=CN=CC=C1 3138AF [0,2,0,0,0,0|1,0,0]=3 405 B12R1.107 CC(NC(N)=S)C1=CC=CC=C1 V7228 [0,2,0,0,0,0|1,1,0]=4 406 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 0890AC [0,2,0,0,0,0|2,0,0]=4 407 B12R1.107 CN(CC(=O)O)C1=NC=CC=C1 0429AA [0,2,0,0,0,0|2,0,0]=4 408 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 3454AA [0,2,0,0,0,0|0,0,2]=4 409 B12R1.308 NC(CCO)C1=C(Cl)C=CC=C1 9685AC [0,2,0,0,0,0|0,0,2]=4 410 B12R1.121 CNCCC1=CC=CC=C1OC 7980AC [0,2,0,0,0,0|2,0,0]=4 411 B12R1.121 COC1=C(CCCBr)C=CC=C1 2016AE [0,2,0,0,0,0|1,0,1]=4 412 B12R1.125 CC(=O)CCC1=CC=CC=C1Cl 3201AF [0,2,0,0,0,0|0,0,0]=2 413 B12R1.125 CC(=O)\C=C\C1=CC=CC=C1F V4347 [0,2,0,0,0,0|0,0,2]=4 414 B12R1.125 CC1=C(OCC(=O)Cl)C=CC=C1 4865AD [0,2,0,0,0,0|1,0,0]=3 415 B12R1.125 CC1=C(\C=C\C(=O)Cl)C=CC=C1 0318AF [0,2,0,0,0,0|0,0,2]=4 416 B12R1.125 CC1=CC=CC=C1CSC(N)=[NH2+] AMTEC013 [0,2,0,0,0,0|2,0,0]=4 417 B12R1.125 CN(C)CCC1=CC=CC=C1N Y5394 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.125 N=C(N)COC1=C(Cl)C=CC=C1 6057AE [0,2,0,0,0,0|2,0,0]=4 419 B12R1.125 O=C(Cl)\C=C\C1=C(Cl)C=CC=C1 1154AE [0,2,0,0,0,0|0,0,2]=4 420 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1Br 0702AF [0,2,0,0,0,0|0,0,2]=4 421 B12R1.125 O=C(O)CCN1C=CC=CC1=O 0599AC [0,2,0,0,0,0|1,0,0]=3 422 B12R1.125 O=C(O)CCN1C=CC=CC1=O 1458AF [0,2,0,0,0,0|1,0,0]=3 423 B12R1.125 O=C(O)CNC1=C(Br)C=CC=C1 5549AB [0,2,0,0,0,0|1,0,0]=3 424 B12R1.267 C=CCCOC1=CC=CN=C1Br 5479AB [0,2,0,0,0,0|2,0,0]=4 425 B12R1.267 CC1=CC=CC=C1OCCC#N 5620AJ [0,2,0,0,0,0|1,0,1]=4 426 B12R1.267 CNCCOC1=C(F)C=CC=C1 1240AF [0,2,0,0,0,0|2,0,0]=4 427 B12R1.267 CNCCOC1=C(F)C=CC=C1 8127AC [0,2,0,0,0,0|2,0,0]=4 428 B12R1.267 CNCCOC1=CC=CC=C1C 8132AC [0,2,0,0,0,0|2,0,0]=4 429 B12R1.267 COCOCC1=C(Br)C=CC=C1 6088AC [0,2,0,0,0,0|2,0,0]=4 430 B12R1.267 NCCSCC1=CC=CC=C1Cl 3136AE [0,2,0,0,0,0|1,0,1]=4 431 B12R1.267 OCCNCC1=C(Cl)C=CC=C1 7385AE [0,2,0,0,0,0|0,0,2]=4 432 B12R1.371 CC1=C(CC(N)CO)C=CC=C1 1475AJ [0,2,0,0,0,0|0,0,2]=4 433 B12R1.371 O=CC(Cl)CC1=CC=CC=C1Cl Y6122 [0,2,0,0,0,0|0,0,0]=2 434 B12R1.1631 O=C\C=C\C1=C(F)C=CC=C1F 5357AJ [0,2,0,0,0,0|0,0,2]=4 435 B12R1.28 C=CCOCC1=CC(Br)=CC=C1 Z0894 [0,2,0,0,0,0|1,0,0]=3 436 B12R1.28 CC1=CC(NCCC#N)=CC=C1 I644 [0,2,0,0,0,0|1,0,1]=4 437 B12R1.28 CC1=CC(OCCCN)=CC=C1 8801AD [0,2,0,0,0,0|1,0,1]=4 438 B12R1.28 CCCCOC1=CC=CC(N)=C1 7849AD [0,2,0,0,0,0|1,0,1]=4 439 B12R1.28 CCCNCC1=CC=CC(F)=C1 V8909 [0,2,0,0,0,0|1,0,1]=4 440 B12R1.28 CNCCOC1=CC(C)=CC=C1 8135AC [0,2,0,0,0,0|2,0,0]=4 441 B12R1.28 CNCCOC1=CC(F)=CC=C1 8126AC [0,2,0,0,0,0|2,0,0]=4 442 B12R1.28 NCCCOC1=CC(Cl)=CC=C1 9754AC [0,2,0,0,0,0|1,0,1]=4 443 B12R1.28 NCCCOC1=CC(F)=CC=C1 5637AJ [0,2,0,0,0,0|1,0,1]=4 444 B12R1.28 NCCNCC1=CC=CC(F)=C1 2750AD [0,2,0,0,0,0|1,0,1]=4 445 B12R1.100 CCCCC1=CC(F)=CC(F)=C1 4645AA [0,2,0,0,0,0|1,0,1]=4 446 B12R1.100 O=CCCC1=CC(Cl)=CC(F)=C1 4212AF [0,2,0,0,0,0|0,0,0]=2 447 B12R1.226 C=C(C)COC1=CC(N)=CC=C1 8114AC [0,2,0,0,0,0|2,0,0]=4 448 B12R1.226 CC(=O)CCC1=CC=CC(F)=C1 1147AE [0,2,0,0,0,0|0,0,0]=2 449 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 Z3568 [0,2,0,0,0,0|0,0,2]=4 450 B12R1.226 N=C(N)NCC1=CC=CC(I)=C1 8064AJ [0,2,0,0,0,0|2,0,0]=4 451 B12R1.226 NC(=O)CCC1=CC(Br)=CC=C1 5635AJ [0,2,0,0,0,0|0,0,0]=2 452 B12R1.226 NC(=[NH2+])SCC1=CC=CC(F)=C1 AMTEC011 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 3449AD [0,2,0,0,0,0|0,0,2]=4 454 B12R1.226 O=C(Cl)\C=C\C1=CC=CC(Cl)=C1 3923AD [0,2,0,0,0,0|0,0,2]=4 455 B12R1.226 O=C(Cl)\C=C\C1=CC=CC(F)=C1 2333AE [0,2,0,0,0,0|0,0,2]=4 456 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 0483AC [0,2,0,0,0,0|0,0,0]=2 457 B12R1.226 O=C(O)\C=C\C1=CC=CC(I)=C1 W6157 [0,2,0,0,0,0|0,0,2]=4 458 B12R1.382 CNCCC1=CC(OC)=CC=C1 9295AH [0,2,0,0,0,0|2,0,0]=4 459 B12R1.382 CNCCC1=CC=CC(OC)=C1 3929AB [0,2,0,0,0,0|2,0,0]=4 460 B12R1.382 COC1=CC=CC(CN=C=O)=C1 5850AE [0,2,0,0,0,0|1,0,1]=4 461 B12R1.8 CC#CCNCC1=CC=CC=C1 4019AE [0,2,0,0,0,0|1,0,1]=4 462 B12R1.8 CNCCCOC1=CC=CC=C1 5970AA [0,2,0,0,0,0|1,0,1]=4 463 B12R1.8 CNCCNCC1=CC=CC=C1 3159AL [0,2,0,0,0,0|1,0,1]=4 464 B12R1.8 ClCCCCOC1=CC=CC=C1 U779 [0,2,0,0,0,0|1,0,1]=4 465 B12R1.8 N#CCCCOC1=CC=CC=C1 2807AL [0,2,0,0,0,0|1,0,1]=4 466 B12R1.8 N#CCCNCC1=CC=CC=C1 1395AF [0,2,0,0,0,0|1,0,1]=4 467 B12R1.8 NCCCCOC1=CC=CC=C1 V3692 [0,2,0,0,0,0|1,0,1]=4 468 B12R1.8 NCCOCCC1=CC=CC=C1 0341AD [0,2,0,0,0,0|1,0,1]=4 469 B12R1.8 O=CCCOCC1=CC=CC=C1 Y8137 [0,2,0,0,0,0|0,0,0]=2 470 B12R1.8 OCCC\C=C\C1=CC=CC=C1 1994AH [0,2,0,0,0,0|0,0,2]=4 471 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 3157AL [0,2,0,0,0,0|1,0,0]=3 472 B12R1.27 CC(CO)NCC1=CC=CC=C1 8255AE [0,2,0,0,0,0|0,0,2]=4 473 B12R1.27 CCC(=O)CCC1=CC=CC=C1 U874 [0,2,0,0,0,0|0,0,0]=2 474 B12R1.27 CCC(=O)NNC1=CC=CC=C1 7054AD [0,2,0,0,0,0|2,0,0]=4 475 B12R1.27 COC(=O)CCC1=CC=NC=C1 6999AJ [0,2,0,0,0,0|1,0,0]=3 476 B12R1.27 COC(=O)CCC1=CN=CN=C1 X7986 [0,2,0,0,0,0|2,0,0]=4 477 B12R1.27 NCC(=O)NCC1=CC=CN=C1 2265AD [0,2,0,0,0,0|2,0,0]=4 478 B12R1.27 NCC(=O)NCC1=CC=NC=C1 1843AD [0,2,0,0,0,0|2,0,0]=4 479 B12R1.27 NCC(=O)NCC1=NC=CC=C1 1909AD [0,2,0,0,0,0|2,0,0]=4 480 B12R1.27 NNC(=O)CCC1=CN=CC=C1 9437AJ [0,2,0,0,0,0|1,0,0]=3 481 B12R1.27 NNC(=S)NCC1=CC=CC=C1 3861AD [0,2,0,0,0,0|1,1,0]=4 482 B12R1.27 O=C(CCl)NNC1=CC=CC=C1 7817AD [0,2,0,0,0,0|2,0,0]=4 483 B12R1.27 O=C(NO)NNC1=CC=CC=C1 1378AD [0,2,0,0,0,0|2,0,0]=4 484 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 Y7489 [0,2,0,0,0,0|0,0,2]=4 485 B12R1.32 CN(CCN)CC1=CC=CC=C1 6899AA [0,2,0,0,0,0|1,0,1]=4 486 B12R1.252 CC(C)CNCC1=CC=CC=C1 3705AL [0,2,0,0,0,0|1,0,1]=4 487 B12R1.252 CC(C)NCCC1=CC=CC=C1 2161AE [0,2,0,0,0,0|1,0,1]=4 488 B12R1.252 CC(N)CCCC1=CC=CC=C1 7584AD [0,2,0,0,0,0|1,0,1]=4 489 B12R1.252 O=C(O)CCCC1=CC=NC=C1 7697AC [0,2,0,0,0,0|1,0,0]=3 490 B12R1.252 O=C(O)CCCC1=CC=NC=C1 8657AE [0,2,0,0,0,0|1,0,0]=3 491 B12R1.252 O=C(O)CNCC1=NC=CC=C1 Z2473 [0,2,0,0,0,0|1,0,0]=3 492 B12R1.252 OB(O)\C=C\CC1=CC=CC=C1 Z9474 [0,2,0,0,0,0|0,0,2]=4 493 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O 0185AE [0,2,0,0,0,0|1,0,0]=3 494 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O 9529AF [0,2,0,0,0,0|1,0,0]=3 495 B12R1.43 CC(OC1=CC=CC=C1)C(N)=O 5101AH [0,2,0,0,0,0|1,0,0]=3 496 B12R1.43 CC(SC1=CC=CC=N1)C(=O)O 0108AE [0,2,0,0,0,0|2,0,0]=4 497 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O W3956 [0,2,0,0,0,0|0,0,0]=2 498 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O 6856AC [0,2,0,0,0,0|1,0,0]=3 499 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O 4699AB [0,2,0,0,0,0|1,0,0]=3 500 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O X2941 [0,2,0,0,0,0|1,0,0]=3 501 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 4343AE [0,2,0,0,0,0|1,0,1]=4 502 B12R1.43 O=C(O)C(O)CC1=CN=CC=C1 4393AH [0,2,0,0,0,0|1,0,0]=3 503 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 R761 [0,2,0,0,0,0|0,0,0]=2 504 B12R1.118 COC(CN)CC1=CC=CC=C1 1715AF [0,2,0,0,0,0|1,0,1]=4 505 B12R1.118 OCC(CO)CC1=CC=CC=C1 3161AH [0,2,0,0,0,0|0,0,2]=4 506 B12R1.194 CC(C)(C=O)SC1=CC=CC=C1 7249AE [0,2,0,0,0,0|1,0,0]=3 507 B12R1.891 NS(=O)(=O)CCC1=CC=CC=C1 Y6084 [0,2,0,0,0,0|1,0,0]=3 508 B10R2.6 C1=CC(C2CC2)=CC=N1 Z0635 [1,0,0,1,0,0|1,0,1]=4 509 B10R2.7 C1=CC2=C(C=C1)CSC2 1903AB [1,0,0,1,0,0|1,0,1]=4 510 B10R2.7 C1=CC2=C(C=C1)ON=C2 1484AL [1,0,0,1,0,0|2,0,0]=4 511 B10R2.7 C1=CC2=C(C=N1)CCN2 1361AJ [1,0,0,1,0,0|2,0,0]=4 512 B10R2.7 C1=CC2=CON=C2C=C1 5069AL [1,0,0,1,0,0|2,0,0]=4 513 B10R2.7 C1=CC=C2NC=CC2=C1 J70045 [1,0,0,1,0,0|1,0,1]=4 514 B10R2.7 C1=CN=C2CCNC2=C1 1360AJ [1,0,0,1,0,0|2,0,0]=4 515 B10R2.32 O=C1CCC2=C1SC=C2 W7014 [0,0,0,1,1,0|1,0,0]=3 516 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 9184AB [0,1,0,1,0,0|1,0,1]=4 517 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 X9385 [0,1,0,1,0,0|1,0,1]=4 518 B12R2.24 BrC1=CC2=C(C=C1)COCC2 W3968 [0,1,0,1,0,0|2,0,0]=4 519 B12R2.24 CC1=CC2=C(C=C1)CNCC2 5932AB [0,1,0,1,0,0|2,0,0]=4 520 B12R2.24 CC1=CC=C2CCNCC2=C1 2952AE [0,1,0,1,0,0|2,0,0]=4 521 B12R2.24 CC1=CC=C2CNCCC2=C1 6012AH [0,1,0,1,0,0|2,0,0]=4 522 B12R2.24 CN1CCC2=C(C=CC=C2)C1 8158AA [0,1,0,1,0,0|2,0,0]=4 523 B12R2.24 ClC1=CC2=C(C=C1)NCCC2 W6526 [0,1,0,1,0,0|1,0,1]=4 524 B12R2.24 FC1=CC2=C(C=C1)CCNC2 2483AC [0,1,0,1,0,0|2,0,0]=4 525 B12R2.24 FC1=CC2=C(C=C1)CCNC2 5533AB [0,1,0,1,0,0|2,0,0]=4 526 B12R2.24 FC1=CC2=C(C=C1)OCCC2 2700AC [0,1,0,1,0,0|0,0,2]=4 527 B12R2.24 FC1=CC=C2CNCCC2=C1 1328AB [0,1,0,1,0,0|2,0,0]=4 528 B12R2.24 N1CCCC2=C1C=C(C)C=C2 9836AL [0,1,0,1,0,0|1,0,1]=4 529 B12R2.24 NC1=CC2=C(C=C1)CCNC2 9574AH [0,1,0,1,0,0|2,0,0]=4 530 B12R2.24 NC1=CC2=C(C=C1)CNCC2 9209AA [0,1,0,1,0,0|2,0,0]=4 531 B12R2.24 NC1CCC2=CC=CC=C2C1 3016AB [0,1,0,1,0,0|1,0,1]=4 532 B12R2.24 NC1CNC2=CC=CC=C2C1 5514AB [0,1,0,1,0,0|1,0,1]=4 533 B12R2.24 NC1COC2=C(C=CC=C2)C1 9046AB [0,1,0,1,0,0|0,0,2]=4 534 B12R2.24 NC1COC2=C(C=CC=C2)C1 9680AA [0,1,0,1,0,0|0,0,2]=4 535 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 1181AL [0,1,0,1,0,0|1,0,1]=4 536 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 1283AL [0,1,0,1,0,0|1,0,1]=4 537 B12R2.24 O=C1C=C2C=CC=CC2=NN1 3472AB [0,1,0,1,0,0|2,0,0]=4 538 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 V4626 [0,1,0,1,0,0|1,0,0]=3 539 B12R2.24 O=C1CCC2=C(N=CC=C2)N1 5286AB [0,1,0,1,0,0|1,0,0]=3 540 B12R2.24 O=C1CNC2=C(C=CC=C2)O1 A392 [0,1,0,1,0,0|1,0,0]=3 541 B12R2.24 O=C1COC2=CC=NC=C2N1 Z6517 [0,1,0,1,0,0|2,0,0]=4 542 B12R2.24 O=C1CSC2=CC=CC=C2C1 4666AJ [0,1,0,1,0,0|1,0,0]=3 543 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 2076AJ [0,1,0,1,0,0|1,0,0]=3 544 B12R2.24 OC1=CC2=C(C=C1)CCNC2 Y5086 [0,1,0,1,0,0|2,0,0]=4 545 B12R2.24 OC1=CC2=C(C=C1)CNCC2 W7258 [0,1,0,1,0,0|2,0,0]=4 546 B12R2.24 OC1=CC=C2CCNCC2=C1 0195AC [0,1,0,1,0,0|2,0,0]=4 547 B12R2.24 OC1=CC=C2CNCCC2=C1 9788AB [0,1,0,1,0,0|2,0,0]=4 548 B12R2.24 OC1CNC2=CC=CC=C2C1 3033AH [0,1,0,1,0,0|1,0,1]=4 549 B12R2.24 SC1=NC2=CC=CC=C2CS1 V6175 [0,1,0,1,0,0|1,1,0]=4 550 B12R2.132 CN1CCC2=C1C=C(N)C=C2 9914AH [0,1,0,1,0,0|2,0,0]=4 551 B12R2.132 CN1CCC2=CC=C(N)C=C21 9915AH [0,1,0,1,0,0|2,0,0]=4 552 B12R2.132 NC1CCC2=CC=C(Cl)C=C21 3277AA [0,1,0,1,0,0|1,0,1]=4 553 B12R2.132 N[C@H]1CCC2=CC=C(Br)C=C21 8406AH [0,1,0,1,0,0|1,0,1]=4 554 B12R2.132 N[C@H]1CCC2=CC=C(Br)C=C21 9195AH [0,1,0,1,0,0|1,0,1]=4 555 B12R2.132 O=C1NOC2=C1C=C(Cl)C=C2 1873AB [0,1,0,1,0,0|2,0,0]=4 556 B12R2.132 O=C1NOC2=CC=C(F)C=C12 Z5428 [0,1,0,1,0,0|2,0,0]=4 557 B12R2.2 C1=CC=C(C2CCCC2)C=C1 8394AE [0,1,0,1,0,0|1,0,1]=4 558 B12R2.2 C1=CC=C(C2CCNC2)C=C1 0848AF [0,1,0,1,0,0|1,0,1]=4 559 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 9228AJ [0,1,0,1,0,0|1,0,1]=4 560 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 W8786 [0,1,0,1,0,0|1,0,1]=4 561 B12R2.2 C1=CC=C([S+]2CCCC2)C=C1 0152AF [0,1,0,1,0,0|1,0,1]=4 562 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 8284AB [0,1,0,1,0,0|0,0,0]=2 563 B12R2.27 OCC1CC1C2=CC=CC=C2 9271AB [0,1,0,1,0,0|0,0,2]=4 564 B12R2.27 OC[C@H]1O[C@@H]1C2=CC=CC=C2 7395AJ [0,1,0,1,0,0|0,0,2]=4 565 B12R2.116 OC1(C2=CC=CC=C2)COC1 8374AE [0,1,0,1,0,0|2,0,0]=4 566 B12R2.1081 BrC1=CC=CC2=C1CNCC2 1719AC [0,1,0,1,0,0|2,0,0]=4 567 B12R2.1081 CC1=C2CCNCC2=CC=C1 4498AA [0,1,0,1,0,0|2,0,0]=4 568 B12R2.1081 CC1=C2CCNCC2=CC=C1 5721AB [0,1,0,1,0,0|2,0,0]=4 569 B12R2.1081 CC1=C2CNCCC2=CC=C1 5520AA [0,1,0,1,0,0|2,0,0]=4 570 B12R2.1081 CC1CNCC2=C1C=CC=C2 1997AA [0,1,0,1,0,0|1,0,1]=4 571 B12R2.1081 CC1CNCC2=C1C=CC=C2 Z3889 [0,1,0,1,0,0|1,0,1]=4 572 B12R2.1081 ClC1=CC=CC2=C1CCNC2 1342AC [0,1,0,1,0,0|2,0,0]=4 573 B12R2.1081 ClC1=CC=CC2=C1CCNC2 2482AC [0,1,0,1,0,0|2,0,0]=4 574 B12R2.1081 ClC1=CC=CC2=C1CNCC2 9240AB [0,1,0,1,0,0|2,0,0]=4 575 B12R2.1081 FC1=C2CCNCC2=CC=C1 5532AB [0,1,0,1,0,0|2,0,0]=4 576 B12R2.1081 FC1=C2CNCCC2=CC=C1 3785AJ [0,1,0,1,0,0|2,0,0]=4 577 B12R2.1081 FC1=CC=CC2=C1CCNC2 Z5146 [0,1,0,1,0,0|2,0,0]=4 578 B12R2.1081 IC1=C2CCCCC2=CC=C1 3231AJ [0,1,0,1,0,0|1,0,1]=4 579 B12R2.1081 NC1=C2CCNCC2=CC=C1 1657AA [0,1,0,1,0,0|2,0,0]=4 580 B12R2.1081 NC1=C2CNCCC2=CC=C1 5621AC [0,1,0,1,0,0|2,0,0]=4 581 B12R2.1081 NC1=C2OCCCC2=CC=C1 2077AJ [0,1,0,1,0,0|0,0,2]=4 582 B12R2.1081 NC1=CC=CC2=C1CCCN2 Y8893 [0,1,0,1,0,0|1,0,1]=4 583 B12R2.1081 NC1=CC=CC2=C1CCNC2 2573AA [0,1,0,1,0,0|2,0,0]=4 584 B12R2.1081 NC1CCNC2=CC=CC=C21 1769AC [0,1,0,1,0,0|1,0,1]=4 585 B12R2.1081 NC1CCNC2=CC=CC=C21 2501AC [0,1,0,1,0,0|1,0,1]=4 586 B12R2.1081 NC1CCOC2=CC=CC=C21 5088AC [0,1,0,1,0,0|0,0,2]=4 587 B12R2.1081 NC1CCSC2=C1C=CC=C2 V9257 [0,1,0,1,0,0|0,1,1]=4 588 B12R2.1081 NC1COCC2=C1C=CC=C2 2575AA [0,1,0,1,0,0|1,0,1]=4 589 B12R2.1081 NC1COCC2=C1C=CC=C2 W3221 [0,1,0,1,0,0|1,0,1]=4 590 B12R2.1081 NN1CCCC2=C1C=CC=C2 6035AE [0,1,0,1,0,0|1,0,1]=4 591 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 B572 [0,1,0,1,0,0|1,0,1]=4 592 B12R2.1081 N[C@@H]1CCOC2=CC=CC=C21 0758AB [0,1,0,1,0,0|0,0,2]=4 593 B12R2.1081 O=C1CCCC2=C1C=CN=C2 1097AB [0,1,0,1,0,0|1,0,0]=3 594 B12R2.1081 O=C1CCOC2=CC=CN=C12 Z4709 [0,1,0,1,0,0|1,0,0]=3 595 B12R2.1081 O=C1COCC2=C1C=CC=C2 W4380 [0,1,0,1,0,0|0,0,0]=2 596 B12R2.1081 O=C1NC=CC2=CC=CC=C12 6656AB [0,1,0,1,0,0|0,0,2]=4 597 B12R2.1081 O=C1NCCC2=C1C=CC=N2 Y7639 [0,1,0,1,0,0|1,0,0]=3 598 B12R2.1081 O=C1NCCC2=C1N=CC=C2 Y3276 [0,1,0,1,0,0|1,0,0]=3 599 B12R2.1081 OC1=C2CNCCC2=CC=C1 9575AH [0,1,0,1,0,0|2,0,0]=4 600 B12R2.1081 OC1=CC=CC2=C1CNCC2 3758AB [0,1,0,1,0,0|2,0,0]=4 601 B12R2.1081 OC1CNCC2=CC=CC=C21 9571AH [0,1,0,1,0,0|0,0,2]=4 602 B12R2.1081 OC1COCC2=CC=CC=C21 0698AB [0,1,0,1,0,0|0,0,2]=4 603 B12R2.1081 O[C@@H]1CCCC2=CC=CC=C21 1543AB [0,1,0,1,0,0|0,0,2]=4 604 B12R2.2028 CC1CC(=O)C2=C1C=CC=C2 9076AB [0,1,0,1,0,0|0,0,0]=2 605 B12R2.2028 CC1CC(N)C2=C1C=CC=C2 2333AJ [0,1,0,1,0,0|1,0,1]=4 606 B12R2.2028 C[C@H]1NC(=O)C2=C1C=CC=C2 8667AH [0,1,0,1,0,0|1,0,0]=3 607 B12R2.2028 O=C1OC(Cl)C2=C1C=CC=C2 P813 [0,1,0,1,0,0|1,0,0]=3 608 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 X6396 [0,1,0,1,0,0|1,0,1]=4 609 B12R2.2075 N[C@@H](C1=CC=CC=C1)C2CC2 W9898 [0,1,0,1,0,0|1,0,1]=4 610 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 W8707 [0,1,0,1,0,0|1,0,1]=4 611 B12R2.2075 OC(C1=CC=CC=C1)C2CC2 7063AL [0,1,0,1,0,0|1,0,1]=4 612 B12R2.32 BrCC1CC2=CC=CC=C2C1 4237AB [0,1,0,1,0,0|1,0,1]=4 613 B12R2.32 CNC1CC2=CC=CC=C2C1 0955AA [0,1,0,1,0,0|2,0,0]=4 614 B12R2.32 NCC1CC2=C(C=CC=C2)C1 1348AJ [0,1,0,1,0,0|1,0,1]=4 615 B12R2.32 NCC1CC2=C(C=CC=C2)O1 0279AB [0,1,0,1,0,0|1,0,1]=4 616 B12R2.32 NNC1CC2=C(C=CC=C2)C1 0304AD [0,1,0,1,0,0|2,0,0]=4 617 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 Y8104 [0,1,0,1,0,0|0,0,2]=4 618 B12R2.32 O=CC1=NC2=CC=CC=C2O1 9461AB [0,1,0,1,0,0|1,0,1]=4 619 B12R2.32 O=CC1CC2=CC=CC=C2C1 1349AJ [0,1,0,1,0,0|0,0,0]=2 620 B12R2.32 OCC1CC2=CC=CC=C2C1 7876AB [0,1,0,1,0,0|0,0,2]=4 621 B12R2.32 OCC1CC2=CC=CC=C2N1 1350AJ [0,1,0,1,0,0|0,0,2]=4 622 B12R2.196 CC1=C2CNC(=O)C2=CC=C1 2888AJ [0,1,0,1,0,0|1,0,0]=3 623 B12R2.196 CC1=C2OCC(=O)C2=CC=C1 6493AJ [0,1,0,1,0,0|1,0,0]=3 624 B12R2.196 NC1CCC2=C(Br)C=CC=C21 2651AL [0,1,0,1,0,0|1,0,1]=4 625 B12R2.196 NC1CCC2=C(F)C=CC=C21 2719AL [0,1,0,1,0,0|1,0,1]=4 626 B12R2.196 NC1CCC2=C1C=CC=C2F 7425AA [0,1,0,1,0,0|1,0,1]=4 627 B12R2.196 O=C1COC2=C1C=CC=C2Cl 3655AB [0,1,0,1,0,0|1,0,0]=3 628 B12R2.196 O=C1COC2=C1C=CC=C2F 6026AC [0,1,0,1,0,0|1,0,0]=3 629 B12R2.196 O=C1NCC2=C1C=CC=C2F 2810AJ [0,1,0,1,0,0|1,0,0]=3 630 B12R2.196 O=C1NNC2=C1C=CC=C2Br Y6459 [0,1,0,1,0,0|2,0,0]=4 631 B12R2.196 O=C1NNC2=C1C=CC=C2F X3694 [0,1,0,1,0,0|2,0,0]=4 632 B12R2.196 O=C1OCC2=C(O)C=CC=C12 5863AA [0,1,0,1,0,0|1,0,0]=3 633 B12R2.80 NC1CC1C2=CC(Cl)=CC=C2 5207AJ [0,1,0,1,0,0|1,0,1]=4 634 B12R2.203 CC1=C2C(=O)NCC2=CC=C1 3731AJ [0,1,0,1,0,0|1,0,0]=3 635 B12R2.203 O=C1CCC2=C1C(I)=CC=C2 9520AB [0,1,0,1,0,0|0,0,0]=2 636 B12R2.203 O=C1COC2=C1C(Cl)=CC=C2 3654AB [0,1,0,1,0,0|1,0,0]=3 637 B12R2.203 O=C1COC2=CC=CC(F)=C12 5225AC [0,1,0,1,0,0|1,0,0]=3 638 B12R2.203 O=C1COC2=CC=CC(I)=C12 3473AA [0,1,0,1,0,0|1,0,0]=3 639 B12R2.203 O=C1NCC2=C1C(Cl)=NC=C2 W8808 [0,1,0,1,0,0|2,0,0]=4 640 B12R2.203 O=C1NCC2=C1C(F)=CC=C2 Y1611 [0,1,0,1,0,0|1,0,0]=3 641 B12R2.203 O=C1NCC2=C1C(O)=CC=C2 0816AA [0,1,0,1,0,0|1,0,0]=3 642 B12R2.203 O=C1NNC2=CC=CC(Br)=C12 6101AJ [0,1,0,1,0,0|2,0,0]=4 643 B12R2.203 O=C1NNC2=CC=CC(F)=C12 X3692 [0,1,0,1,0,0|2,0,0]=4 644 B12R2.612 CC1=CC2=C(C=C1)C(O)CC2 3976AB [0,1,0,1,0,0|0,0,2]=4 645 B12R2.612 CC1=CC=C2C(=O)OCC2=C1 3272AJ [0,1,0,1,0,0|1,0,0]=3 646 B12R2.612 CC1=CCC2=C1C=CC(Br)=C2 Z8184 [0,1,0,1,0,0|1,0,1]=4 647 B12R2.612 CN1CCC2=C1C=CC(N)=C2 9928AH [0,1,0,1,0,0|2,0,0]=4 648 B12R2.612 ClC1CCC2=C1C=CC(Br)=C2 7946AA [0,1,0,1,0,0|1,0,1]=4 649 B12R2.612 NC1CCC2=C1C=CC(Cl)=C2 3412AA [0,1,0,1,0,0|1,0,1]=4 650 B12R2.612 N[C@@H]1CCC2=C1C=CC(Br)=C2 8358AH [0,1,0,1,0,0|1,0,1]=4 651 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 5041AC [0,1,0,1,0,0|1,0,1]=4 652 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 5425AC [0,1,0,1,0,0|1,0,1]=4 653 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 2906AL [0,1,0,1,0,0|1,0,0]=3 654 B12R2.1 CNC1CCC2=C1C=CC=C2 4152AJ [0,1,0,1,0,0|1,0,1]=4 655 B12R2.1 CNC1CCC2=C1C=CC=C2 4380AJ [0,1,0,1,0,0|1,0,1]=4 656 B12R2.1 N#CC1CCC2=C1C=CC=C2 Z4520 [0,1,0,1,0,0|1,0,1]=4 657 B12R2.1 NCC1CCC2=C1C=CC=C2 Y9439 [0,1,0,1,0,0|1,0,1]=4 658 B12R2.1 NCC1CNC2=C1C=CC=C2 5682AJ [0,1,0,1,0,0|1,0,1]=4 659 B12R2.1 O=CC1=NNC2=C1C=CC=C2 5134AJ [0,1,0,1,0,0|1,0,1]=4 660 B12R2.1 OCC1CCC2=C1C=CC=C2 5329AJ [0,1,0,1,0,0|0,0,2]=4 661 B12R2.1 O\N=C1/COC2=CC=CC=C21 0178AF [0,1,0,1,0,0|1,0,1]=4 662 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 Z9695 [0,1,0,1,0,0|1,0,1]=4 663 B12R2.2057 C1=CC=C(OC[C@H]2CO2)C=C1 P609 [0,1,0,1,0,0|0,0,2]=4 664 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 9499AD [0,1,0,1,0,0|2,0,0]=4 665 B12R2.18 NC1CC2=C(C=CC=C2)C1=O W7922 [0,1,0,1,0,0|0,0,0]=2 666 B12R2.18 NC1CC2=CC=CC=C2C1O 7525AA [0,1,0,1,0,0|0,0,2]=4 667 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O 6832AA [0,1,0,1,0,0|1,0,1]=4 668 B12R2.94 NC1(CC2=CC=CC=C2)CC1 8899AD [0,1,0,1,0,0|1,0,1]=4 669 B12R3.12 C1=CC2=C(C=C1)C3OC3C2 9741AJ [0,0,0,2,0,0|0,0,2]=4 670 B8R1.8 BrCCC1=CC=CS1 Z5496 [1,0,0,0,1,0|2,0,0]=4 671 B8R1.8 BrCCC1=CSC=C1 W7060 [1,0,0,0,1,0|2,0,0]=4 672 B8R1.8 BrCCN1C=CC=C1 Y4087 [1,0,0,0,1,0|2,0,0]=4 673 B8R1.8 CCCC1=CC=CO1 Z5525 [1,0,0,0,1,0|1,0,1]=4 674 B8R1.8 CCCC1=CSC=C1 Z5466 [1,0,0,0,1,0|1,0,1]=4 675 B8R1.8 ClCCN1C=CC=C1 X4634 [1,0,0,0,1,0|2,0,0]=4 676 B8R1.8 NCCC1=CC=CN1 1070AJ [1,0,0,0,1,0|2,0,0]=4 677 B8R1.8 NCCC1=CC=CN1 5556AB [1,0,0,0,1,0|2,0,0]=4 678 B8R1.8 NCCN1C=CC=C1 3045AB [1,0,0,0,1,0|2,0,0]=4 679 B8R1.8 OCCC1=CSC=C1 J11110 [1,0,0,0,1,0|1,0,1]=4