0 B12R1.252 CC(C)CNCc1ccccc1 WX600341 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.252 c1ccc(cc1)CNCC(=O)O WX610175 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.252 c1ccc(cc1)NCCC(=O)O WX665022 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.28 c1ccc(cc1)CNCC#N WXC04002 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.28 c1ccc(cc1)COCCN WXC01524 [1,0,0,0,0,0|2,0,1]=4 5 B13R1.158 c1ccc(c(c1)OCCC(=O)O)Cl WXC03760 [0,1,0,0,0,0|1,0,0]=2 6 B13R1.351 c1ccc(cc1)CCC(C(=O)O)Br WX630059 [0,1,0,0,0,0|0,0,0]=1 7 B13R1.513 c1cc(ccc1OCCC(=O)O)Br WX610207 [0,1,0,0,0,0|1,0,0]=2 8 B13R1.718 CC(CO)COCc1ccccc1 WXC01445 [0,1,0,0,0,0|2,0,1]=4 9 B13R1.718 COC(=O)COCc1ccccc1 WX618352 [0,1,0,0,0,0|1,0,0]=2 10 B13R1.3523 CS(=O)(=O)NCCc1ccccc1 WX682926 [0,1,0,0,0,0|2,0,1]=4 11 B13R2.10 c1ccc(cc1)C2CC(=O)NC2 WX619180 [0,0,0,1,0,0|2,0,0]=3 12 B13R2.10 c1ccc(cc1)C2COC(=O)N2 WX619123 [0,0,0,1,0,0|2,0,0]=3 13 B13R2.31 c1ccc(cc1)CN2CC(C2)O WX642110 [0,0,0,1,0,0|2,0,1]=4 14 B13R2.72 CC(=O)N1CCc2c1cccc2 WX690274 [0,0,0,1,0,0|2,0,0]=3 15 B13R2.72 c1ccc2c(c1)CC=C2C(=O)O WX612086 [0,0,0,1,0,0|0,0,2]=3 16 B13R2.72 c1ccc2c(c1)c(on2)C(=O)O WXC03688 [0,0,0,1,0,0|2,0,1]=4 17 B11R1.91 c1c(cncn1)CCC(=O)O WX613623 [0,0,0,0,1,0|2,0,0]=3 18 B11R1.91 c1ccc(cc1)CC[N+](=O)[O-] WXC02076 [0,0,0,0,1,0|1,0,1]=3 19 B11R1.91 c1ccc(cc1)NCC(=O)N WX602022 [0,0,0,0,1,0|2,0,0]=3 20 B11R1.91 c1ccnc(c1)C#CC(=O)O WXC01687 [0,0,0,0,1,0|1,0,2]=4 21 B10R1.17 C1C=CCC(=C1)CCCO WX640164 [2,0,0,0,0,0|0,0,2]=4 22 B12R1.8 C=CCCNCc1ccccc1 WXC04551 [1,1,0,0,0,0|1,0,0]=3 23 B12R1.8 c1ccc(cc1)CNCCCO WXC02407 [1,1,0,0,0,0|0,0,1]=3 24 B12R1.21 Cc1ccc(cc1)SCC(=O)O WX610177 [0,1,0,0,1,0|1,0,0]=3 25 B12R1.21 Cc1ccc(cn1)CCC(=O)O WX613465 [0,1,0,0,1,0|1,0,0]=3 26 B12R1.21 Cc1ccc(nc1)CCC(=O)O WX613470 [0,1,0,0,1,0|1,0,0]=3 27 B12R1.21 c1cc(ccc1SCC(=O)O)Cl WXC00948 [0,1,0,0,1,0|1,0,0]=3 28 B12R1.21 c1cc(ncc1CCC(=O)O)F WX613475 [0,1,0,0,1,0|1,0,0]=3 29 B12R1.125 CC(=O)SCc1ccccc1Cl WXC01340 [0,1,0,0,1,0|2,0,0]=4 30 B12R1.125 Cc1c(cccn1)CCC(=O)O WX613463 [0,1,0,0,1,0|1,0,0]=3 31 B12R1.125 Cc1cccnc1CCC(=O)O WX613467 [0,1,0,0,1,0|1,0,0]=3 32 B12R1.125 Cc1ccncc1CCC(=O)O WX613471 [0,1,0,0,1,0|1,0,0]=3 33 B12R1.125 Cc1cnccc1CCC(=O)O WX613468 [0,1,0,0,1,0|1,0,0]=3 34 B12R1.125 c1ccc(c(c1)CCC(=O)O)F WXC03386 [0,1,0,0,1,0|0,0,0]=2 35 B12R1.226 Cc1cc(ccn1)CCC(=O)O WX613464 [0,1,0,0,1,0|1,0,0]=3 36 B12R1.226 Cc1cc(cnc1)CCC(=O)O WX613469 [0,1,0,0,1,0|1,0,0]=3 37 B12R1.226 Cc1cccc(n1)CCC(=O)O WX613466 [0,1,0,0,1,0|1,0,0]=3 38 B12R1.226 Cc1ccnc(c1)CCC(=O)O WX613472 [0,1,0,0,1,0|1,0,0]=3 39 B12R1.226 c1cc(cc(c1)O)CCC(=O)O WXC02798 [0,1,0,0,1,0|0,0,0]=2 40 B12R1.226 c1cnc(cc1F)CCC(=O)O WX613482 [0,1,0,0,1,0|1,0,0]=3 41 B14R1.677 c1cc(ccc1CCCCC(=O)O)F WX610050 [0,1,0,0,0,1|0,0,0]=2 42 B14R1.677 c1cc(ccc1N)OCCCC(=O)O WXC03654 [0,1,0,0,0,1|0,0,0]=2 43 B14R1.677 c1cc(ccc1\C=C\CCC(=O)O)F WX610071 [0,1,0,0,0,1|0,0,1]=3 44 B14R1.520 CCOC(=O)C\N=C\c1ccccc1 WX665025 [0,2,0,0,0,0|1,0,1]=4 45 B14R1.520 CCOC(=O)\C=C\Cc1ccccc1 WX618083 [0,2,0,0,0,0|0,0,2]=4 46 B12R2.1 c1ccc/2c(c1)CC\C2=N/O WX690241 [1,0,0,1,0,0|1,0,1]=4 47 B12R2.2 c1ccc(cc1)C2CCNC2 WX604689 [1,0,0,1,0,0|2,0,0]=4 48 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 WX625030 [1,0,0,1,0,0|1,0,0]=3 49 B12R2.1081 c1cc2c(nc1)C(CCC2)O WX642062 [1,0,0,1,0,0|1,0,1]=4 50 B12R2.1081 c1cc2c(nc1)NCCC2=O WXC03764 [1,0,0,1,0,0|2,0,0]=4 51 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 WX604538 [1,0,0,1,0,0|1,0,0]=3 52 B12R2.24 c1ccc2c(c1)CC(=O)OC2 WX690066 [0,0,0,1,1,0|2,0,0]=4 53 B12R2.24 c1ccc2c(c1)CCC(=O)N2 WX602171 [0,0,0,1,1,0|1,0,0]=3 54 B12R2.24 c1ccc2c(c1)NCC(=O)N2 WX602060 [0,0,0,1,1,0|2,0,0]=4 55 B12R2.2403 CC1(CCc2c1cccc2)O WX644012 [0,0,0,1,1,0|1,0,1]=4 56 B14R2.2 c1ccc2c(c1)CCN2CC(=O)O WX610271 [0,0,0,1,0,1|0,0,0]=2 57 B14R2.19 c1ccc(cc1)CN2CC[C@@H](C2)O WXC04550 [0,0,0,1,0,1|1,0,1]=4 58 B14R2.19 c1ccc(cc1)CN2CC[C@H](C2)O WXC03275 [0,0,0,1,0,1|1,0,1]=4 59 B14R2.68 c1ccc(cc1)C2CCC(=O)NC2 WXC00812 [0,1,0,1,0,0|1,0,0]=3 60 B14R2.29285 c1ccc2c(c1)C(CCS2(=O)=O)N WX600066 [0,1,0,1,0,0|1,0,1]=4 61 B14R2.22 c1cc(cc(c1)Br)C2CNC(=O)O2 WX633116 [0,1,0,1,0,0|1,0,0]=3 62 B14R2.256 c1ccc(c(c1)C2CNC(=O)O2)Br WX633097 [0,1,0,1,0,0|1,0,0]=3 63 B14R2.768 c1ccc2c(c1)CC(C2)CC(=O)O WX610338 [0,1,0,1,0,0|0,0,0]=2 64 B14R2.768 c1ccc2c(c1)[nH]c(n2)CC(=O)O WX610135 [0,1,0,1,0,0|1,0,1]=4 65 B14R2.781 c1ccc2c(c1)CCC(O2)C(=O)O WXC00786 [0,1,0,1,0,0|0,0,0]=2 66 B14R2.20 c1cc(ccc1C2CNC(=O)O2)Br WX633101 [0,1,0,1,0,0|1,0,0]=3 67 B14R2.4402 c1cc(ccc1C2CC2C(=O)O)Cl WX610414 [0,1,0,1,0,0|0,0,0]=2 68 B14R2.4402 c1cc(ccc1C2CC2C(=O)O)F WXC00568 [0,1,0,1,0,0|0,0,0]=2 69 B14R2.4402 c1cc(ccc1[C@@H]2C[C@H]2C(=O)O)Br WXC03808 [0,1,0,1,0,0|0,0,0]=2 70 B14R2.5816 CC(=O)N1CCc2c1cc(cc2)N WXC02238 [0,1,0,1,0,0|2,0,0]=4 71 B14R2.95 c1ccc2c(c1)CCN2C(=O)CCl WX630244 [0,1,0,1,0,0|2,0,0]=4 72 B10R1.18 c1ccc(cc1)CC(=S)N WX619929 [0,0,0,0,2,0|1,1,0]=4 73 B10R1.66 c1c([nH]cn1)CCC(=O)O WX610115 [0,0,0,0,2,0|2,0,0]=4 74 B10R1.66 c1c(cn[nH]1)CCC(=O)O WX613223 [0,0,0,0,2,0|2,0,0]=4 75 B10R1.66 c1c(nc[nH]1)CCC(=O)O WX612030 [0,0,0,0,2,0|2,0,0]=4 76 B10R1.66 c1cc([nH]c1)CCC(=O)O WX610154 [0,0,0,0,2,0|1,0,0]=3