0 B11R1.91 c1c(cncn1)CCC(=O)O WX613623 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.91 c1ccc(cc1)CC[N+](=O)[O-] WXC02076 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.91 c1ccc(cc1)NCC(=O)N WX602022 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.91 c1ccc(cc1)\C=C\[N+](=O)[O-] WXC02075 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.91 c1ccnc(c1)C#CC(=O)O WXC01687 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.21 Cc1ccc(cc1)SCC(=O)O WX610177 [0,1,0,0,0,0|3,0,0]=4 6 B12R1.21 Cc1ccc(cn1)CCC(=O)O WX613465 [0,1,0,0,0,0|3,0,0]=4 7 B12R1.21 Cc1ccc(nc1)CCC(=O)O WX613470 [0,1,0,0,0,0|3,0,0]=4 8 B12R1.21 c1cc(ccc1SCC(=O)O)Cl WXC00948 [0,1,0,0,0,0|3,0,0]=4 9 B12R1.21 c1cc(ncc1CCC(=O)O)F WX613475 [0,1,0,0,0,0|3,0,0]=4 10 B12R1.27 COC(=O)C#Cc1ccccn1 WXC04030 [0,1,0,0,0,0|2,0,1]=4 11 B12R1.125 CC(=O)SCc1ccccc1Cl WXC01340 [0,1,0,0,0,0|0,1,0]=2 12 B12R1.125 Cc1c(cccn1)CCC(=O)O WX613463 [0,1,0,0,0,0|3,0,0]=4 13 B12R1.125 Cc1cccnc1CCC(=O)O WX613467 [0,1,0,0,0,0|3,0,0]=4 14 B12R1.125 Cc1ccncc1CCC(=O)O WX613471 [0,1,0,0,0,0|3,0,0]=4 15 B12R1.125 Cc1cnccc1CCC(=O)O WX613468 [0,1,0,0,0,0|3,0,0]=4 16 B12R1.125 c1ccc(c(c1)CCC(=O)O)F WXC03386 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.226 Cc1cc(ccn1)CCC(=O)O WX613464 [0,1,0,0,0,0|3,0,0]=4 18 B12R1.226 Cc1cc(cnc1)CCC(=O)O WX613469 [0,1,0,0,0,0|3,0,0]=4 19 B12R1.226 Cc1cccc(n1)CCC(=O)O WX613466 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.226 Cc1ccnc(c1)CCC(=O)O WX613472 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.226 c1cc(cc(c1)O)CCC(=O)O WXC02798 [0,1,0,0,0,0|2,0,0]=3 22 B12R1.226 c1cnc(cc1F)CCC(=O)O WX613482 [0,1,0,0,0,0|3,0,0]=4 23 B12R2.24 c1ccc2c(c1)CC(=O)OC2 WX690066 [0,0,0,1,0,0|0,0,0]=1 24 B12R2.24 c1ccc2c(c1)CCC(=O)N2 WX602171 [0,0,0,1,0,0|2,0,0]=3 25 B12R2.24 c1ccc2c(c1)NCC(=O)N2 WX602060 [0,0,0,1,0,0|3,0,0]=4 26 B12R2.2403 CC1(CCc2c1cccc2)O WX644012 [0,0,0,1,0,0|1,0,2]=4 27 B10R1.18 c1ccc(cc1)CC(=S)N WX619929 [0,0,0,0,1,0|1,1,0]=3 28 B10R1.18 c1ccc(cc1)NC(=N)N WX684412 [0,0,0,0,1,0|3,0,0]=4 29 B10R1.18 c1cnc(nc1)CC(=O)N WXC04468 [0,0,0,0,1,0|3,0,0]=4 30 B10R1.66 c1cc([nH]c1)CCC(=O)O WX610154 [0,0,0,0,1,0|3,0,0]=4 31 B12R1.252 CC(C)CNCc1ccccc1 WX600341 [0,0,0,0,0,1|2,0,1]=4 32 B12R1.252 c1ccc(cc1)CNCC(=O)O WX610175 [0,0,0,0,0,1|2,0,0]=3 33 B12R1.252 c1ccc(cc1)NCCC(=O)O WX665022 [0,0,0,0,0,1|2,0,0]=3 34 B9R1.8 CNCc1ccccn1 WX600188 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.8 CNCc1cccnc1 WX609032 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.8 CNCc1ccncc1 WX603083 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.28 c1ccc(cc1)COCCN WXC01524 [1,1,0,0,0,0|0,0,1]=3 38 B11R1.20 CC(=O)Oc1ccc(cc1)O WX645067 [0,1,0,0,1,0|0,0,0]=2 39 B11R1.20 c1cc(ncc1Br)CC(=O)O WX613772 [0,1,0,0,1,0|2,0,0]=4 40 B11R1.20 c1cc(ncc1F)CC(=O)O WX613440 [0,1,0,0,1,0|2,0,0]=4 41 B11R1.36 CC(c1ccccc1)C(=N)N WX619918 [0,1,0,0,1,0|2,0,0]=4 42 B11R1.86 c1ccn(c(=O)c1)CC(=O)O WX610390 [0,1,0,0,1,0|2,0,0]=4 43 B11R1.157 CN(C)Cc1cccc(c1)N WX602192 [0,1,0,0,1,0|2,0,0]=4 44 B13R1.158 c1ccc(c(c1)OCCC(=O)O)Cl WXC03760 [0,1,0,0,0,1|2,0,0]=4 45 B13R1.351 c1ccc(cc1)CCC(C(=O)O)Br WX630059 [0,1,0,0,0,1|2,0,0]=4 46 B13R1.513 c1cc(ccc1OCCC(=O)O)Br WX610207 [0,1,0,0,0,1|2,0,0]=4 47 B13R1.718 CC(CO)COCc1ccccc1 WXC01445 [0,1,0,0,0,1|0,0,2]=4 48 B13R1.718 COC(=O)COCc1ccccc1 WX618352 [0,1,0,0,0,1|0,0,0]=2 49 B13R1.3523 CS(=O)(=O)NCCc1ccccc1 WX682926 [0,1,0,0,0,1|2,0,0]=4 50 B13R1.14 COC(=O)\C=C\c1ccc(cc1)F WXC02879 [0,2,0,0,0,0|1,0,1]=4 51 B13R1.133 CC(Cc1ccc(cc1)F)C(=O)O WX610360 [0,2,0,0,0,0|2,0,0]=4 52 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)O)F WX610364 [0,2,0,0,0,0|2,0,0]=4 53 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)Cl WXC04341 [0,2,0,0,0,0|1,0,0]=3 54 B13R1.15 CCC(=O)NCc1cccc(c1)Br WX633157 [0,2,0,0,0,0|1,0,0]=3 55 B13R1.15 COC(=O)\C=C\c1cccc(c1)Cl WXC02700 [0,2,0,0,0,0|1,0,1]=4 56 B13R1.15 COC(=O)\C=C\c1cccc(c1)F WXC02882 [0,2,0,0,0,0|1,0,1]=4 57 B13R1.15 Cc1cccc(c1)\C=C\C(=O)OC WXC02880 [0,2,0,0,0,0|1,0,1]=4 58 B13R1.42 CCCC(=O)CCc1ccccc1 WX625004 [0,2,0,0,0,0|1,0,0]=3 59 B13R1.42 CCOC(=O)COc1ccccc1 WXC00252 [0,2,0,0,0,0|2,0,0]=4 60 B13R1.135 COC(=O)C(=C)Cc1ccccc1 WXC04246 [0,2,0,0,0,0|1,0,0]=3 61 B13R1.528 CNC(=O)CCc1ccccc1Br WX633150 [0,2,0,0,0,0|1,0,0]=3 62 B13R1.528 COC(=O)\C=C\c1ccccc1Cl WXC02679 [0,2,0,0,0,0|1,0,1]=4 63 B13R1.528 COC(=O)\C=C\c1ccccc1F WXC02877 [0,2,0,0,0,0|1,0,1]=4 64 B13R1.528 Cc1ccccc1\C=C\C(=O)OC WXC02878 [0,2,0,0,0,0|1,0,1]=4 65 B13R1.148 CC(Cc1cccc(c1)Br)C(=O)O WXC02764 [0,2,0,0,0,0|2,0,0]=4 66 B13R1.90 CC(=O)NNc1ccccc1OC WXC02009 [0,2,0,0,0,0|2,0,0]=4 67 B11R2.1 c1cc2c(nc1)C(=O)CC2 WX626094 [1,0,0,1,0,0|2,0,0]=4 68 B11R2.1 c1ccc2c(c1)CNC2=O WX619030 [1,0,0,1,0,0|1,0,0]=3 69 B11R2.10 c1cc2c(nc1)CC(=O)N2 WX619106 [0,0,0,1,1,0|2,0,0]=4 70 B11R2.10 c1ccc2c(c1)nc(o2)Cl WX636225 [0,0,0,1,1,0|2,0,0]=4 71 B13R2.10 Cc1cc(on1)c2ccccc2 WX690012 [0,0,0,1,0,1|1,0,1]=4 72 B13R2.10 c1ccc(cc1)C2CC(=O)NC2 WX619180 [0,0,0,1,0,1|1,0,0]=3 73 B13R2.10 c1ccc(cc1)C2COC(=O)N2 WX619123 [0,0,0,1,0,1|1,0,0]=3 74 B13R2.72 CC(=O)N1CCc2c1cccc2 WX690274 [0,0,0,1,0,1|1,0,0]=3 75 B13R2.72 CC(=O)c1c2ccccc2[nH]n1 WX626026 [0,0,0,1,0,1|2,0,0]=4 76 B13R2.72 CC(=O)c1c[nH]c2c1cccc2 WX624168 [0,0,0,1,0,1|1,0,1]=4 77 B13R2.72 c1ccc2c(c1)CC=C2C(=O)O WX612086 [0,0,0,1,0,1|2,0,0]=4 78 B13R2.72 c1ccc2c(c1)c(on2)C(=O)O WXC03688 [0,0,0,1,0,1|2,0,0]=4 79 B13R2.155 c1cc2c(cc1Br)NC(=O)CC2 WX633031 [0,1,0,1,0,0|2,0,0]=4 80 B13R2.155 c1cc2c(cc1O)NC(=O)CC2 WXC01574 [0,1,0,1,0,0|2,0,0]=4 81 B13R2.33 c1ccc2c(c1)CCC(=O)CC2 WX625099 [0,1,0,1,0,0|1,0,0]=3 82 B13R2.435 CC(=O)c1cc2ccccc2[nH]1 WX626022 [0,1,0,1,0,0|1,0,1]=4 83 B13R2.435 c1ccc2c(c1)CC(C2)C(=O)O WX610123 [0,1,0,1,0,0|2,0,0]=4 84 B13R2.435 c1ccc2c(c1)CC(O2)C(=O)O WX610124 [0,1,0,1,0,0|2,0,0]=4 85 B13R2.3683 c1cc2c(cc1Br)CCC(=O)N2 WX633057 [0,1,0,1,0,0|2,0,0]=4 86 B13R2.3683 c1cc2c(cc1Br)COC(=O)N2 WX633163 [0,1,0,1,0,0|1,0,0]=3 87 B9R1.13 c1cc([nH]c1)CC(=O)N WX619054 [0,0,0,0,2,0|2,0,0]=4 88 B9R1.13 c1cc(oc1)CC(=O)O WX610351 [0,0,0,0,2,0|2,0,0]=4