0 B13R2.5190 c1cc2c(cc1Cl)CC(=O)C2=O DA-37634 [0,0,0,0,0,0|2,1,1]=4 1 B13R2.5190 c1cc2c(cc1O)CC(=O)C2=O DA-37304 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.18 Cc1cc2ccccc2n1N DA-25960 [1,0,0,0,0,0|3,0,0]=4 3 B12R2.18 c1ccc2c(c1)C(=O)C(=O)O2 DA-27457 [1,0,0,0,0,0|2,0,1]=4 4 B12R2.606 Cc1cc2ccc(cc2[nH]1)Br DA-36478 [1,0,0,0,0,0|2,1,0]=4 5 B12R2.606 c1c(cnc2c1CC(=O)N2)N DA-38070 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.606 c1c2c(cnc1Cl)CC(=O)N2 DA-48500 [1,0,0,0,0,0|2,1,0]=4 7 B12R2.606 c1cc(nc2c1NC(=O)C2)Br DA-37934 [1,0,0,0,0,0|2,1,0]=4 8 B12R2.606 c1cc2c(cc1I)oc(=O)[nH]2 DA-36111 [1,0,0,0,0,0|1,1,0]=3 9 B12R2.612 Cc1ccc2c(c1)ccn2C DA-30178 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.612 Cn1ccc2c1ccc(c2)I DA-38894 [1,0,0,0,0,0|2,1,0]=4 11 B14R2.1095 Cc1c2ccc(cc2oc1C=O)F DA-36957 [0,1,0,0,0,0|3,0,0]=4 12 B14R2.1095 Cn1c2ccc(cc2nc1C=O)Cl DA-43970 [0,1,0,0,0,0|1,1,1]=4 13 B14R2.1815 Cn1c2ccc(cc2oc1=O)C=O DA-27403 [0,1,0,0,0,0|3,0,0]=4 14 B14R2.8716 CN1c2ccc(cc2C(=O)C1=O)I DA-37292 [0,1,0,0,0,0|2,1,0]=4 15 B14R2.8716 Cn1c2ccc(cc2n(c1=O)C)Br DA-37932 [0,1,0,0,0,0|1,1,0]=3 16 B14R2.8737 Cc1c(ccc2c1NC(=O)C2=O)Br DA-46302 [0,1,0,0,0,0|1,1,1]=4 17 B14R2.8737 c1cc(c(c2c1C(=O)C(=O)N2)F)Br DA-45927 [0,1,0,0,0,0|1,1,1]=4 18 B12R1.20 CN(c1ccc(cn1)Br)C(=O)N DA-42017 [0,0,1,0,0,0|2,1,0]=4 19 B12R1.50 COC(=O)Nc1cccc(c1)N DA-32730 [0,0,1,0,0,0|3,0,0]=4 20 B14R2.8239 CN1Cc2ccc(cc2NC1=O)N DA-35832 [0,0,0,0,0,1|2,0,0]=3 21 B14R2.8239 Cc1c(=O)[nH]c2cc(ccc2n1)Br DA-35778 [0,0,0,0,0,1|2,1,0]=4 22 B14R2.8239 Cc1cc2ccc(cc2[nH]c1=O)O DA-35902 [0,0,0,0,0,1|3,0,0]=4 23 B14R2.29365 Cc1cc(=O)[nH]c2c1ccc(c2)Br DA-35766 [0,0,0,0,0,1|2,1,0]=4 24 B14R2.29365 Cc1ccc2c(n1)NC(=O)CN2C DA-30229 [0,0,0,0,0,1|3,0,0]=4 25 B14R2.29365 c1cc2c(cc(=O)oc2cc1Br)O DA-35771 [0,0,0,0,0,1|2,1,0]=4 26 B14R2.29365 c1cc2c(cc1Br)[nH]c(=O)cc2O DA-35772 [0,0,0,0,0,1|1,1,0]=3 27 B14R2.29369 CN1c2ccc(cc2CCC1=O)Br DA-36460 [0,0,0,0,0,1|2,1,0]=4 28 B14R2.29369 CN1c2ccc(cc2CCC1=O)N DA-36599 [0,0,0,0,0,1|3,0,0]=4 29 B11R1.37 CNc1ccc(cc1C=O)Cl DA-41998 [1,0,1,0,0,0|1,1,0]=4 30 B11R2.10 c1cncc2c1[nH]c(=O)o2 DA-41700 [2,0,0,0,0,0|2,0,0]=4 31 B11R2.10 c1cncc2c1oc(=O)[nH]2 DA-42001 [2,0,0,0,0,0|2,0,0]=4 32 B11R2.36 c1cc(cc2c1cc[nH]2)I DA-36113 [2,0,0,0,0,0|1,1,0]=4 33 B13R1.20 COCC(=O)Nc1cccc(c1)N DA-43425 [0,1,1,0,0,0|2,0,0]=4 34 B13R2.3028 Cn1c2cc(cnc2[nH]c1=O)Br DA-36529 [1,1,0,0,0,0|2,0,0]=4 35 B13R2.2121 c1cc2c(cc1C#N)oc(=O)[nH]2 DA-27414 [1,1,0,0,0,0|2,0,0]=4 36 B13R2.2121 c1cc2c(cc1C=O)[nH]c(=O)o2 DA-27416 [1,1,0,0,0,0|2,0,0]=4 37 B13R2.3050 Cc1c(ccc2c1NC(=O)C2)Br DA-46543 [1,1,0,0,0,0|1,1,0]=4 38 B13R2.5179 c1cc(c2c(c1)NC(=O)NC2)N DA-38024 [0,0,1,1,0,0|2,0,0]=4 39 B11R1.23 CNC(=O)c1cccc(c1)I DA-23501 [0,0,1,0,1,0|1,1,0]=4 40 B13R2.32 CN1c2ccccc2NCC1=O DA-24832 [1,0,0,0,0,1|1,0,0]=3 41 B13R2.32 CN1c2cccnc2NCC1=O DA-41741 [1,0,0,0,0,1|2,0,0]=4 42 B13R2.369 CN1Cc2ccccc2NC1=O DA-24729 [1,0,0,0,0,1|1,0,0]=3 43 B13R2.369 c1ccc2c(c1)CC(C(=O)N2)O DA-24730 [1,0,0,0,0,1|1,0,0]=3 44 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)N DA-36618 [1,0,0,0,0,1|2,0,0]=4 45 B13R2.3683 c1cc(cc2c1cc(=O)[nH]c2)Br DA-35783 [1,0,0,0,0,1|1,1,0]=4 46 B13R2.3683 c1cc2c(cc1F)cnc(=O)[nH]2 DA-36157 [1,0,0,0,0,1|0,0,1]=3 47 B13R2.3683 c1cc2c(cc1N)CNC(=O)C2 DA-35841 [1,0,0,0,0,1|2,0,0]=4 48 B13R2.3683 c1cc2c(cc1O)CNC(=O)C2 DA-35645 [1,0,0,0,0,1|2,0,0]=4 49 B13R2.3683 c1cc2c(cc1O)CNC(=O)N2 DA-40207 [1,0,0,0,0,1|1,0,0]=3