0 B12R2.612 B1(c2ccc(cc2CO1)O)O DA-30273 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.612 Cc1c2ccc(cc2n[nH]1)Cl DA-36304 [0,0,0,0,0,0|2,0,1]=3 2 B12R2.612 Cc1c2ccc(cc2n[nH]1)N DA-23378 [0,0,0,0,0,0|3,0,1]=4 3 B12R2.612 Cc1ccc2c(=O)[nH]oc2n1 DA-35985 [0,0,0,0,0,0|2,0,2]=4 4 B12R2.612 Cc1ccc2c(c1)[nH]nc2N DA-36042 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.612 c1c(cnc2c1CCC2=O)Cl DA-45712 [0,0,0,0,0,0|3,0,1]=4 6 B12R2.612 c1c(cnc2c1CCC2O)Cl DA-45713 [0,0,0,0,0,0|3,0,1]=4 7 B12R2.612 c1c(cnc2c1OCC2=O)Cl DA-36252 [0,0,0,0,0,0|2,0,1]=3 8 B12R2.612 c1c2c(cnc1Cl)C(=O)OC2 DA-36251 [0,0,0,0,0,0|3,0,1]=4 9 B12R2.612 c1cc2c(cc1O)CNC2=O DA-43043 [0,0,0,0,0,0|2,0,2]=4 10 B12R2.612 c1cn2c(cc1Cl)ncc2I DA-35713 [0,0,0,0,0,0|4,0,0]=4 11 B11R2.1 CC1COc2c1cccc2 DA-27551 [1,0,0,0,0,0|2,0,1]=4 12 B11R2.1 Cc1c2c(cccn2)[nH]n1 DA-23399 [1,0,0,0,0,0|3,0,0]=4 13 B11R2.1 c1cc2c(=O)[nH]oc2nc1 DA-33459 [1,0,0,0,0,0|1,0,2]=4 14 B11R2.1 c1cc2c(c(no2)N)nc1 DA-33460 [1,0,0,0,0,0|2,0,0]=3 15 B11R2.1 c1ccc2c(c1)c([nH]n2)N DA-26181 [1,0,0,0,0,0|2,0,1]=4 16 B11R2.1 c1ccn2c(c1)cnc2Br DA-23921 [1,0,0,0,0,0|3,0,0]=4 17 B11R2.1 c1ccn2c(c1)nnc2Cl DA-42324 [1,0,0,0,0,0|3,0,0]=4 18 B11R2.36 Cc1ccc2c[nH]nc2c1 DA-36945 [1,0,0,0,0,0|2,0,1]=4 19 B11R2.36 c1cc(cc2c1cc[nH]2)I DA-36113 [1,0,0,0,0,0|2,1,0]=4 20 B11R2.36 c1cc(cc2c1ccs2)Cl DA-36254 [1,0,0,0,0,0|1,1,0]=3 21 B11R2.36 c1cc2c(cc1Cl)CNC2 DA-37451 [1,0,0,0,0,0|1,0,2]=4 22 B11R2.36 c1cc2c(cc1O)ocn2 DA-36562 [1,0,0,0,0,0|3,0,0]=4 23 B11R2.36 c1cc2cnoc2cc1Br DA-36544 [1,0,0,0,0,0|0,1,0]=2 24 B11R2.36 c1cc2nncn2cc1Cl DA-48098 [1,0,0,0,0,0|3,0,0]=4 25 B11R2.36 c1cn2cncc2cc1Br DA-35750 [1,0,0,0,0,0|2,1,0]=4 26 B13R2.662 C#Cc1c2ccc(cc2[nH]n1)F DA-23619 [0,1,0,0,0,0|2,1,0]=4 27 B13R2.662 c1cc2c(cc1Br)onc2CBr DA-36463 [0,1,0,0,0,0|1,1,0]=3 28 B13R2.662 c1cc2c(cc1Cl)scc2CBr DA-23920 [0,1,0,0,0,0|2,1,0]=4 29 B13R2.5180 c1cc(c(c2c1C(CO2)N)Cl)Cl DA-36712 [0,1,0,0,0,0|2,0,1]=4 30 B13R2.5187 Cc1c2ccc(cc2n(n1)C)Br DA-36540 [0,1,0,0,0,0|2,1,0]=4 31 B13R2.5187 Cn1c2cc(ccc2c(n1)I)Cl DA-36309 [0,1,0,0,0,0|2,0,0]=3 32 B13R2.5187 Cn1c2cc(ccc2c(n1)I)F DA-36151 [0,1,0,0,0,0|2,1,0]=4 33 B13R2.5187 Cn1c2cc(ccc2c(n1)N)Cl DA-36353 [0,1,0,0,0,0|2,0,0]=3 34 B13R2.5187 Cn1c2ccc(cc2c(n1)I)Cl DA-37527 [0,1,0,0,0,0|3,0,0]=4 35 B13R2.5190 Cc1c2ccc(cc2nn1C)Cl DA-36335 [0,1,0,0,0,0|2,0,1]=4 36 B13R2.5190 c1cc2c(cc1Cl)CC(=O)C2=O DA-37634 [0,1,0,0,0,0|2,0,1]=4 37 B13R2.11634 B1(c2cc(c(cc2CO1)Cl)N)O DA-36579 [0,1,0,0,0,0|3,0,0]=4 38 B13R2.11634 Cc1cc2c(cc1N)c(no2)C DA-24582 [0,1,0,0,0,0|2,0,0]=3 39 B13R2.11634 Cc1cc2c(noc2cc1N)C DA-24611 [0,1,0,0,0,0|2,0,0]=3 40 B13R2.11634 c1c2c(cc(c1N)F)[nH]nc2Cl DA-41087 [0,1,0,0,0,0|2,1,0]=4 41 B13R2.11642 c1c(cc2c(c1N)c(n[nH]2)Br)Cl DA-23949 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.22 CNC(=O)c1ccc(cc1)Cl DA-41687 [0,0,1,0,0,0|1,0,2]=4 43 B11R1.24 c1cc(cc(c1)Cl)OCCBr DA-31463 [0,0,1,0,0,0|2,0,1]=4 44 B11R1.37 COc1cc(ccc1C=C)Br DA-39927 [0,0,1,0,0,0|2,1,0]=4 45 B11R1.37 c1cc(c(cc1Cl)CO)CO DA-39761 [0,0,1,0,0,0|2,0,1]=4 46 B11R1.166 c1cc(c(cc1Cl)O)[N+](=O)[O-] DA-37554 [0,0,1,0,0,0|2,0,1]=4 47 B13R2.3683 c1cc(=O)oc2c1cc(cc2)Cl DA-36326 [0,0,0,0,0,1|2,0,1]=4 48 B13R2.3683 c1cc2c(cc1Cl)CCC(=O)O2 DA-36253 [0,0,0,0,0,1|2,0,1]=4 49 B13R2.3683 c1cc2c(cc1F)cnc(=O)[nH]2 DA-36157 [0,0,0,0,0,1|1,1,1]=4 50 B13R2.5179 c1cc(nc2c1C(=O)CCO2)Cl DA-35905 [0,0,0,0,0,1|2,0,1]=4 51 B13R2.5179 c1cc2c(cc1F)OCCC2O DA-35650 [0,0,0,0,0,1|1,1,1]=4 52 B13R2.5179 c1cc2c(ccnc2Cl)cc1O DA-29526 [0,0,0,0,0,1|3,0,0]=4 53 B13R2.5179 c1cc2c(ccnc2N)cc1Cl DA-36356 [0,0,0,0,0,1|2,0,0]=3 54 B13R2.5179 c1cc2c(ccnc2cc1I)O DA-35632 [0,0,0,0,0,1|2,1,0]=4 55 B13R2.5179 c1cnc(c2c1cc(nc2)Cl)Cl DA-30162 [0,0,0,0,0,1|3,0,0]=4 56 B10R1.10 c1cc(cc(c1)Cl)CCO DA-23731 [1,0,1,0,0,0|1,0,1]=4 57 B10R1.25 c1cc(c(cc1Cl)O)CN DA-27914 [1,0,1,0,0,0|0,0,2]=4 58 B10R1.61 c1cc(c(nc1)C(=N)N)O DA-25541 [1,0,1,0,0,0|2,0,0]=4 59 B12R1.367 c1cc(c(cc1C(CO)O)Cl)Cl DA-31288 [0,1,1,0,0,0|1,0,1]=4 60 B12R1.25 C=CCOc1cccc(c1Cl)Cl DA-30735 [0,1,1,0,0,0|2,0,0]=4 61 B12R1.57 COc1cc(cnc1C(=O)O)Cl DA-46646 [0,1,1,0,0,0|2,0,0]=4 62 B12R1.234 COc1cc(cc(c1C=O)O)Cl DA-39693 [0,1,1,0,0,0|1,0,1]=4 63 B12R1.448 COc1cc(c(cc1CO)Cl)Cl DA-21982 [0,1,1,0,0,0|1,0,1]=4 64 B12R1.452 c1cc(c(cc1CO)O)C(=O)O DA-26134 [0,1,1,0,0,0|2,0,0]=4 65 B12R1.893 Cc1c(ccc(c1N)C(=O)O)Cl DA-28956 [0,1,1,0,0,0|2,0,0]=4 66 B12R1.893 c1cc(c(c(c1C(=O)O)Br)F)Cl DA-43544 [0,1,1,0,0,0|2,0,0]=4 67 B12R1.893 c1cc(c(c(c1C(=O)O)O)O)Br DA-39965 [0,1,1,0,0,0|1,1,0]=4 68 B12R1.1000 c1c(cc(c(c1Cl)C(=O)O)Br)Cl DA-26865 [0,1,1,0,0,0|2,0,0]=4 69 B12R2.1 c1ccc2c(c1)c(no2)CO DA-30343 [1,1,0,0,0,0|0,0,0]=2 70 B12R2.18 c1ccc2c(c1)C(=O)C(=O)O2 DA-27457 [1,1,0,0,0,0|1,0,1]=4 71 B12R2.132 c1cc2c(cc1Cl)C(CO2)O DA-42089 [1,1,0,0,0,0|1,0,1]=4 72 B12R2.132 c1cc2c(cc1I)C(=O)CO2 DA-38892 [1,1,0,0,0,0|1,0,1]=4 73 B12R2.196 c1cc2c(c(c1)Br)OCC2O DA-35795 [1,1,0,0,0,0|1,0,1]=4 74 B12R2.196 c1cc2c(c(c1)F)[nH]nc2Br DA-25562 [1,1,0,0,0,0|2,0,0]=4 75 B12R2.196 c1cc2c(c(c1)F)[nH]nc2I DA-35654 [1,1,0,0,0,0|2,0,0]=4 76 B12R2.196 c1cc2c(c(c1)O)OCC2O DA-27405 [1,1,0,0,0,0|1,0,1]=4 77 B12R2.203 c1cc2c(c(c1)I)c(n[nH]2)Br DA-24014 [1,1,0,0,0,0|2,0,0]=4 78 B12R2.203 c1cc2c(c(c1)O)c(n[nH]2)Br DA-24079 [1,1,0,0,0,0|2,0,0]=4 79 B12R2.203 c1cc2c(c(c1)O)c(n[nH]2)Cl DA-23872 [1,1,0,0,0,0|2,0,0]=4 80 B12R2.203 c1cc2c(c(c1)O)c(n[nH]2)I DA-23528 [1,1,0,0,0,0|2,0,0]=4 81 B12R2.44 c1cc(cc2c1cco2)CBr DA-36775 [1,1,0,0,0,0|1,1,0]=4 82 B12R2.82 c1cc(c(c2c1cc[nH]2)Cl)Cl DA-36717 [1,1,0,0,0,0|2,0,0]=4 83 B12R2.82 c1cc(c(c2c1ccs2)Cl)Cl DA-36710 [1,1,0,0,0,0|1,1,0]=4 84 B12R2.82 c1cc(c(c2c1cns2)Br)I DA-46002 [1,1,0,0,0,0|0,2,0]=4 85 B12R2.100 c1c2cn[nH]c2cc(c1Cl)Br DA-36422 [1,1,0,0,0,0|1,1,0]=4 86 B12R2.100 c1c2cn[nH]c2cc(c1N)Cl DA-36360 [1,1,0,0,0,0|1,0,0]=3 87 B12R2.246 Cc1cc(c2cn[nH]c2c1)N DA-36041 [1,1,0,0,0,0|2,0,0]=4 88 B12R2.246 c1c[nH]c2c1c(cc(c2)Cl)Br DA-39835 [1,1,0,0,0,0|2,0,0]=4 89 B12R2.246 c1coc2c1c(cc(c2)Cl)Cl DA-21913 [1,1,0,0,0,0|1,0,0]=3 90 B12R2.606 c1cc2c(cc1Cl)oc(n2)Br DA-46671 [1,1,0,0,0,0|2,0,0]=4 91 B14R2.8235 c1c(cc(c2c1cnc(n2)O)Cl)Br DA-48184 [0,1,0,0,0,1|1,1,0]=4 92 B14R2.8235 c1c(cc(c2c1cnc(n2)O)F)Br DA-48182 [0,1,0,0,0,1|1,1,0]=4 93 B14R2.1073 COc1c2ccc(cc2ccn1)N DA-42672 [0,1,0,0,0,1|2,0,0]=4 94 B14R2.8038 c1cc(c(c2c1C(=O)CCO2)Cl)Cl DA-35860 [0,1,0,0,0,1|1,0,1]=4 95 B14R2.8751 Cc1c2ccc(cc2c(nn1)C)Cl DA-36363 [0,1,0,0,0,1|2,0,0]=4 96 B14R2.8751 c1cc2c(cc1Cl)c(ncc2Br)O DA-39829 [0,1,0,0,0,1|2,0,0]=4 97 B14R2.8751 c1cc2c(cc1Cl)c(ncc2O)Cl DA-30139 [0,1,0,0,0,1|1,0,0]=3 98 B14R2.29365 c1cc2c(cc(=O)oc2cc1Br)O DA-35771 [0,1,0,0,0,1|1,1,0]=4 99 B14R2.29365 c1cc2c(cc1Cl)nc(nc2N)N DA-35730 [0,1,0,0,0,1|2,0,0]=4 100 B14R2.300 c1cc2c(cc1Cl)[nH]nc2C(=O)N DA-36359 [0,2,0,0,0,0|1,0,1]=4 101 B14R2.300 c1cc2c(cc1O)occ2C(=O)O DA-36121 [0,2,0,0,0,0|2,0,0]=4