0 B12R1.252 c1ccc(cc1)CCCC(=O)O BC678065 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.252 c1ccc(cc1)COCC(=O)O BC216347 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.252 c1ccnc(c1)CCCC(=O)O BC677038 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.28 c1ccc(cc1)CNCCO BC201328 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.28 c1ccc(cc1)COCC=O BC269066 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.28 c1cnccc1CCCCCl BC261689 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.28 c1cnccc1CCCCO BC644122 [1,0,0,0,0,0|1,0,1]=3 7 B13R1.149 c1cc(cc(c1)Br)CCCC(=O)O BC653536 [0,1,0,0,0,0|0,0,0]=1 8 B13R1.149 c1cc(cc(c1)Cl)CCCC(=O)O BC657170 [0,1,0,0,0,0|0,0,0]=1 9 B13R1.149 c1cc(cc(c1)F)CCCC(=O)O BC657172 [0,1,0,0,0,0|0,0,0]=1 10 B13R1.158 c1ccc(c(c1)CCCC(=O)O)Cl BC657171 [0,1,0,0,0,0|0,0,0]=1 11 B13R1.158 c1ccc(c(c1)CCCC(=O)O)F BC657173 [0,1,0,0,0,0|0,0,0]=1 12 B13R1.348 c1ccc(cc1)NC(=O)CC(=O)O BC216422 [0,1,0,0,0,0|1,0,1]=3 13 B13R1.351 c1ccc(cc1)CCC(=O)C(=O)O BC216574 [0,1,0,0,0,0|0,0,1]=2 14 B13R1.513 c1cc(ccc1CCCC(=O)O)Cl BC653948 [0,1,0,0,0,0|0,0,0]=1 15 B13R1.513 c1cc(ccc1CCCC(=O)O)F BC675965 [0,1,0,0,0,0|0,0,0]=1 16 B13R1.513 c1cc(ccc1CCCC(=O)O)N BC677241 [0,1,0,0,0,0|0,0,0]=1 17 B13R1.718 c1ccc(cc1)COCC(CO)O BC226769 [0,1,0,0,0,0|1,0,2]=4 18 B13R2.10 c1ccc(cc1)C2=CC(=O)CC2 BC600255 [0,0,0,1,0,0|1,0,1]=3 19 B13R2.10 c1ccc(cc1)C2CC(=O)NC2 BC225335 [0,0,0,1,0,0|2,0,0]=3 20 B13R2.10 c1ccc(cc1)[C@H]2COC(=O)N2 BC678022 [0,0,0,1,0,0|2,0,0]=3 21 B13R2.31 c1ccc(cc1)CN2CC(C2)O BC678840 [0,0,0,1,0,0|2,0,1]=4 22 B13R2.72 c1ccc2c(c1)C(CN2)C(=O)O BC203738 [0,0,0,1,0,0|1,0,0]=2 23 B13R2.72 c1ccc2c(c1)c(c[nH]2)C(=O)O BC203227 [0,0,0,1,0,0|1,0,2]=4 24 B13R2.72 c1ccc2c(c1)c(cs2)C(=O)O BC222299 [0,0,0,1,0,0|1,0,2]=4 25 B13R2.72 c1ccc2c(c1)c(n[nH]2)C(=O)O BC205473 [0,0,0,1,0,0|2,0,1]=4 26 B13R2.163 c1cc2c(nc1)NC(=O)CNC2 BC600243 [0,0,0,1,0,0|3,0,0]=4 27 B13R2.2382 c1ccc(cc1)COC[C@@H]2CO2 BC209418 [0,0,0,1,0,0|2,0,1]=4 28 B13R2.2382 c1ccc(cc1)COC[C@H]2CO2 BC226277 [0,0,0,1,0,0|2,0,1]=4 29 B11R1.91 CC(CCc1ccccc1)N BC653661 [0,0,0,0,1,0|2,0,1]=4 30 B11R1.91 c1cc(cnc1)\C=C\C(=O)O BC204442 [0,0,0,0,1,0|1,0,2]=4 31 B11R1.91 c1cc(cnc1)\C=C\C(=O)O BC630675 [0,0,0,0,1,0|1,0,2]=4 32 B11R1.91 c1ccc(cc1)COC(=O)N BC219591 [0,0,0,0,1,0|2,0,0]=3 33 B11R1.91 c1ccc(cc1)\C=C\C(=O)Cl BC651782 [0,0,0,0,1,0|1,0,2]=4 34 B11R1.91 c1ccnc(c1)OCC(=O)O BC682036 [0,0,0,0,1,0|2,0,0]=3 35 B11R1.91 c1cnccc1\C=C\C(=O)O BC204449 [0,0,0,0,1,0|1,0,2]=4 36 B10R1.17 c1ccc(cc1)C#CCO BC222107 [2,0,0,0,0,0|0,0,2]=4 37 B10R1.17 c1ccc(cc1)OCCBr BC209483 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.17 c1ccc(cc1)OCCO BC208517 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.17 c1cnccc1CCCO BC222234 [2,0,0,0,0,0|1,0,0]=3 40 B12R1.1 c1cc(ccc1CNCCO)F BC220844 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.8 c1ccc(cc1)COCCCO BC221424 [1,1,0,0,0,0|0,0,1]=3 42 B12R1.30 CNCCC(c1ccccc1)O BC679596 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.267 CCCCCc1ccccc1C BC686296 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.21 c1cc(ccc1CCC(=O)O)O BC678073 [0,1,0,0,1,0|0,0,0]=2 45 B12R1.43 C=C(Cc1ccccc1)C(=O)O BC220589 [0,1,0,0,1,0|0,0,1]=3 46 B12R1.43 c1ccc(cc1)CC(C(=O)O)O BC224313 [0,1,0,0,1,0|0,0,0]=2 47 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)Cl BC636160 [0,1,0,0,1,0|0,0,0]=2 48 B12R1.43 c1cnccc1C[C@H](C(=O)O)N BC225171 [0,1,0,0,1,0|1,0,0]=3 49 B12R1.107 c1ccc(cc1)C(CC(=O)O)O BC224119 [0,1,0,0,1,0|0,0,0]=2 50 B12R1.125 Cc1ccccc1CCC(=O)O BC684657 [0,1,0,0,1,0|0,0,0]=2 51 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br BC687835 [0,1,0,0,1,0|0,0,0]=2 52 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl BC684352 [0,1,0,0,1,0|0,0,0]=2 53 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O BC687795 [0,1,0,0,1,0|0,0,0]=2 54 B12R1.226 c1cc(cc(c1)F)\C=C\C(=O)O BC202172 [0,1,0,0,1,0|0,0,2]=4 55 B12R1.226 c1cc(cc(c1)N)CCC(=O)O BC204347 [0,1,0,0,1,0|0,0,0]=2 56 B12R1.226 c1cc(cc(c1)O)CCC(=O)O BC687786 [0,1,0,0,1,0|0,0,0]=2 57 B12R1.226 c1cc(cc(c1)O)\C=C\C(=O)O BC210626 [0,1,0,0,1,0|0,0,2]=4 58 B14R1.677 c1cc(ccc1CCCCC(=O)O)O BC290988 [0,1,0,0,0,1|0,0,0]=2 59 B14R1.716 COC(=O)CCCCc1ccccc1 BC217780 [0,1,0,0,0,1|0,0,0]=2 60 B14R1.6449 c1ccc(cc1)CCC[C@H](C(=O)O)N BC657079 [0,1,0,0,0,1|0,0,0]=2 61 B14R1.6449 c1ccc(cc1)CSC[C@@H](C(=O)O)N BC679191 [0,1,0,0,0,1|0,0,0]=2 62 B14R1.415 c1ccc(cc1)C(=O)NC(C(=O)O)O BC649930 [0,2,0,0,0,0|1,0,1]=4 63 B14R1.337 c1ccc(c(c1)C[C@H](CC(=O)O)N)Cl BC675438 [0,2,0,0,0,0|0,0,0]=2 64 B14R1.425 c1ccc(cc1)C[C@H]([C@@H](C(=O)O)O)N BC678249 [0,2,0,0,0,0|0,0,0]=2 65 B14R1.698 c1cc(ccc1C[C@@H](CC(=O)O)N)Cl BC675449 [0,2,0,0,0,0|0,0,0]=2 66 B14R1.743 COC(=O)CC(Cc1ccccc1)N BC206373 [0,2,0,0,0,0|0,0,0]=2 67 B14R1.1485 CC(=O)OC(C)(C)Cc1ccccc1 BC677509 [0,2,0,0,0,0|2,0,0]=4 68 B14R1.679 c1cc(ccc1CC[C@@H](C(=O)O)N)O BC215053 [0,2,0,0,0,0|0,0,0]=2 69 B14R1.4 c1cc(ccc1CO)OCCC(=O)O BC202829 [0,2,0,0,0,0|1,0,0]=3 70 B14R1.13 COC(=O)CCCc1ccc(cc1)N BC216565 [0,2,0,0,0,0|0,0,0]=2 71 B14R1.13 COC(=O)CCCc1ccc(cc1)N BC600052 [0,2,0,0,0,0|0,0,0]=2 72 B14R1.520 CCOC(=O)CCNc1ccccn1 BC224361 [0,2,0,0,0,0|2,0,0]=4 73 B14R1.520 CCOC(=O)CNCc1ccccc1 BC209253 [0,2,0,0,0,0|1,0,0]=3 74 B14R1.520 CCOC(=O)C\N=C\c1ccccc1 BC221521 [0,2,0,0,0,0|1,0,1]=4 75 B12R2.2 c1ccc(cc1)C2CCCN2 BC220765 [1,0,0,1,0,0|1,0,1]=4 76 B12R2.2 c1ccc(cc1)C2CCNC2 BC206377 [1,0,0,1,0,0|2,0,0]=4 77 B12R2.2 c1ccc(cc1)C2CCNC2 BC681902 [1,0,0,1,0,0|2,0,0]=4 78 B12R2.2 c1ccc(cc1)[C@@H]2CCCN2 BC227897 [1,0,0,1,0,0|1,0,1]=4 79 B12R2.2 c1ccc(cc1)[C@@H]2CCNC2 BC630674 [1,0,0,1,0,0|2,0,0]=4 80 B12R2.2 c1ccc(cc1)[C@H]2CCCN2 BC227898 [1,0,0,1,0,0|1,0,1]=4 81 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 BC220805 [1,0,0,1,0,0|1,0,0]=3 82 B12R2.1081 c1cc2c(nc1)C(CCC2)O BC228167 [1,0,0,1,0,0|1,0,1]=4 83 B12R2.1081 c1cc2c(nc1)CCCC2=O BC228644 [1,0,0,1,0,0|1,0,0]=3 84 B12R2.1081 c1cc2c(nc1)CCCC2O BC202819 [1,0,0,1,0,0|1,0,1]=4 85 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 BC208640 [1,0,0,1,0,0|1,0,0]=3 86 B12R2.1081 c1ccc2c(c1)C(CCN2)O BC600011 [1,0,0,1,0,0|1,0,1]=4 87 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N BC200269 [1,0,0,1,0,0|1,0,1]=4 88 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N BC683708 [1,0,0,1,0,0|1,0,1]=4 89 B12R2.1081 c1ccc2c(c1)CCNC2=O BC213850 [1,0,0,1,0,0|1,0,0]=3 90 B12R2.1081 c1cncc2c1C(=O)CCC2 BC679513 [1,0,0,1,0,0|1,0,0]=3 91 B12R2.24 c1cc2c(nc1)CC(=O)CC2 BC682257 [0,0,0,1,1,0|2,0,0]=4 92 B12R2.24 c1cc2c(nc1)CCC(=O)C2 BC228640 [0,0,0,1,1,0|2,0,0]=4 93 B12R2.24 c1cncc2c1CCC(=O)C2 BC679511 [0,0,0,1,1,0|2,0,0]=4 94 B12R2.3190 c1ccc2c(c1)CC2C(=O)O BC225119 [0,0,0,1,1,0|0,0,0]=2 95 B14R2.2 c1ccc2c(c1)c(c[nH]2)CC(=O)O BC202314 [0,0,0,1,0,1|0,0,2]=4 96 B14R2.19 c1ccc(cc1)CN2CCC(=O)C2 BC202131 [0,0,0,1,0,1|1,0,0]=3 97 B14R2.19 c1ccc(cc1)CN2CCC(C2)O BC677025 [0,0,0,1,0,1|1,0,1]=4 98 B14R2.19 c1ccc(cc1)CN2CC[C@@H](C2)O BC208987 [0,0,0,1,0,1|1,0,1]=4 99 B14R2.19 c1ccc(cc1)C[C@@H]2COC(=O)N2 BC205566 [0,0,0,1,0,1|1,0,0]=3 100 B14R2.19 c1ccc(cc1)C[C@H]2COC(=O)N2 BC676868 [0,0,0,1,0,1|1,0,0]=3 101 B14R2.21 c1ccc(cc1)C2CC(=O)CCO2 BC684536 [0,0,0,1,0,1|1,0,0]=3 102 B14R2.31359 c1ccc2c(c1)CCCC2C(=O)O BC226562 [0,0,0,1,0,1|0,0,0]=2 103 B14R2.31359 c1ccc2c(c1)CCC[C@@H]2C(=O)O BC226563 [0,0,0,1,0,1|0,0,0]=2 104 B14R2.31359 c1ccc2c(c1)CCC[C@H]2C(=O)O BC215010 [0,0,0,1,0,1|0,0,0]=2 105 B14R2.68 c1ccc(cc1)C2CCC(=O)CC2 BC207850 [0,1,0,1,0,0|1,0,0]=3 106 B14R2.25733 c1ccc2c(c1)C(CC2=O)C(=O)O BC223601 [0,1,0,1,0,0|0,0,1]=3 107 B14R2.7974 c1cc2c(cc1Br)NCCC(=O)N2 BC256295 [0,1,0,1,0,0|2,0,0]=4 108 B14R2.256 c1ccc(c(c1)C2CC(=O)NC2)Cl BC636863 [0,1,0,1,0,0|2,0,0]=4 109 B14R2.768 c1ccc2c(c1)nc(s2)CC(=O)O BC681689 [0,1,0,1,0,0|1,0,1]=4 110 B14R2.781 c1ccc2c(c1)CC[C@@H](C2)C(=O)O BC226206 [0,1,0,1,0,0|0,0,0]=2 111 B14R2.781 c1ccc2c(c1)C[C@@H](NC2)C(=O)O BC210159 [0,1,0,1,0,0|1,0,0]=3 112 B14R2.781 c1ccc2c(c1)OCC(O2)C(=O)O BC209529 [0,1,0,1,0,0|1,0,0]=3 113 B14R2.738 c1ccc2c(c1)CC(CC(=O)N2)N BC207363 [0,1,0,1,0,0|1,0,0]=3 114 B14R2.20 c1cc(ccc1C2CC(=O)NC2)F BC225338 [0,1,0,1,0,0|2,0,0]=4 115 B14R2.380 c1cc2c(cc1Br)NC(=O)CCN2 BC600047 [0,1,0,1,0,0|2,0,0]=4 116 B14R2.380 c1cc2c(cc1N)NC(=O)CCC2 BC222751 [0,1,0,1,0,0|1,0,0]=3 117 B14R2.279 c1ccc2c(c1)CCNC(=O)C2N BC676054 [0,1,0,1,0,0|2,0,0]=4 118 B10R1.18 CC(=O)Cc1ccccc1 BC250367 [0,0,0,0,2,0|1,0,0]=3 119 B10R1.18 c1c(cncn1)CC(=O)O BC228079 [0,0,0,0,2,0|2,0,0]=4 120 B10R1.18 c1cc(cnc1)CC(=O)O BC228147 [0,0,0,0,2,0|1,0,0]=3 121 B10R1.18 c1ccnc(c1)CC(=O)O BC210696 [0,0,0,0,2,0|1,0,0]=3 122 B10R1.18 c1ccnc(c1)CC(=O)O BC653678 [0,0,0,0,2,0|1,0,0]=3 123 B10R1.18 c1cnccc1CC(=O)O BC220630 [0,0,0,0,2,0|1,0,0]=3 124 B10R1.66 c1c([nH]cn1)CCC(=O)O BC244534 [0,0,0,0,2,0|2,0,0]=4