0 B13R2.369 CN1Cc2ccccc2NC1=O DA-24729 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.369 c1ccc2c(c1)CC(C(=O)N2)O DA-24730 [0,0,0,0,0,0|1,0,2]=3 2 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)N DA-26664 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.369 c1cncc2c1cc(c(c2)Br)O DA-35756 [0,0,0,0,0,0|4,0,0]=4 4 B12R2.24 c1cc2c(nc1)ncc(n2)Cl DA-26354 [1,0,0,0,0,0|2,0,1]=4 5 B14R2.1128 CCc1cc2ccccc2[nH]c1=O DA-23649 [0,1,0,0,0,0|2,0,0]=3 6 B14R2.1128 COc1cc2ccccc2cc1Br DA-26892 [0,1,0,0,0,0|3,0,0]=4 7 B14R2.1128 COc1cc2cccnc2cc1Br DA-35753 [0,1,0,0,0,0|2,0,0]=3 8 B14R2.1128 Cc1cc2cccnc2cc1OC DA-35605 [0,1,0,0,0,0|2,0,1]=4 9 B14R2.1128 c1cc2cc(c(=O)[nH]c2nc1)C#N DA-30325 [0,1,0,0,0,0|1,0,0]=2 10 B14R2.1128 c1cc2cc(c(cc2nc1)F)C#N DA-35651 [0,1,0,0,0,0|3,0,0]=4 11 B14R2.1128 c1cc2cc(c(nc2nc1)Cl)C#N DA-26689 [0,1,0,0,0,0|2,0,1]=4 12 B14R2.1128 c1ccc2c(c1)cc(c(n2)C=O)Cl DA-23712 [0,1,0,0,0,0|2,0,1]=4 13 B14R2.1128 c1ccc2cc(c(cc2c1)CN)O DA-25022 [0,1,0,0,0,0|3,0,0]=4 14 B14R2.8188 Cc1c(=O)n(c2c(n1)cccn2)C DA-27259 [0,1,0,0,0,0|2,0,0]=3 15 B14R2.8188 Cc1c2ccccc2[nH]c(=S)c1N DA-24278 [0,1,0,0,0,0|2,1,0]=4 16 B14R2.8188 Cn1c2ccccc2cc(c1=O)O DA-23575 [0,1,0,0,0,0|1,0,0]=2 17 B14R2.8188 Cn1c2ccccc2nc(c1=O)Cl DA-23863 [0,1,0,0,0,0|3,0,0]=4 18 B14R2.8239 Cc1c(=O)[nH]c2cc(ccc2n1)Br DA-35778 [0,1,0,0,0,0|3,0,0]=4 19 B14R2.8239 Cc1c(=O)[nH]c2ccc(cc2n1)Br DA-36443 [0,1,0,0,0,0|3,0,0]=4 20 B14R2.8239 Cc1cc2cc(ccc2[nH]c1=O)Br DA-36444 [0,1,0,0,0,0|2,0,0]=3 21 B14R2.8239 Cc1cc2cc(ccc2[nH]c1=O)N DA-36592 [0,1,0,0,0,0|2,0,0]=3 22 B14R2.8239 Cc1cc2ccc(cc2[nH]c1=O)O DA-35902 [0,1,0,0,0,0|2,0,0]=3 23 B14R2.8239 Cc1cc2ccc(nc2[nH]c1=O)N DA-35827 [0,1,0,0,0,0|1,0,0]=2 24 B14R2.8239 Cc1ccc2c(c1)cc(c(=O)[nH]2)Br DA-23943 [0,1,0,0,0,0|2,0,0]=3 25 B14R2.8239 c1cc2c(cc1Br)CC(C(=O)N2)O DA-36459 [0,1,0,0,0,0|1,0,2]=4 26 B12R1.43 c1ccnc(c1)NC(=O)C(=O)O DA-25737 [0,0,1,0,0,0|1,0,0]=2 27 B12R1.43 c1cnccc1\C=C(\C(=O)O)/O DA-31830 [0,0,1,0,0,0|3,0,0]=4 28 B12R2.18 CC1Cc2cccnc2C1=O DA-38247 [0,0,0,0,1,0|1,0,2]=4 29 B12R2.18 c1ccc2c(c1)C(=O)C(=O)O2 DA-27457 [0,0,0,0,1,0|2,0,1]=4 30 B11R1.91 c1c(cncn1)C=CC(=O)O DA-25070 [1,0,1,0,0,0|2,0,0]=4 31 B11R1.91 c1cc(cnc1)OCC(=O)N DA-40394 [1,0,1,0,0,0|1,0,1]=4 32 B13R1.382 COC(=O)c1cccnc1NC=O DA-42728 [0,1,1,0,0,0|2,0,0]=4 33 B13R2.32 Cc1c(ccc2c1nccc2)N DA-35417 [1,1,0,0,0,0|2,0,0]=4 34 B13R2.57 c1cc2c(ccc(n2)CO)nc1 DA-30167 [1,1,0,0,0,0|2,0,0]=4 35 B13R2.57 c1cc2cc(cnc2nc1)C=O DA-30134 [1,1,0,0,0,0|0,0,2]=4 36 B13R2.57 c1cc2ccc(cc2nc1)CO DA-35562 [1,1,0,0,0,0|1,0,1]=4 37 B13R2.155 Cc1ccc2c(n1)[nH]c(=O)cn2 DA-35982 [1,1,0,0,0,0|1,0,0]=3 38 B13R2.155 c1cc(cc2c1ccc(=O)o2)Cl DA-35728 [1,1,0,0,0,0|2,0,0]=4 39 B13R2.155 c1cc(cc2c1ccc(n2)Br)F DA-43471 [1,1,0,0,0,0|2,0,0]=4 40 B13R2.155 c1cc(cc2c1ccc(n2)Cl)F DA-42426 [1,1,0,0,0,0|2,0,0]=4 41 B13R2.155 c1cc(nc2c1ccc(=O)[nH]2)N DA-35840 [1,1,0,0,0,0|0,0,0]=2 42 B13R2.155 c1cc(nc2c1ccc(n2)Cl)N DA-35743 [1,1,0,0,0,0|1,0,1]=4 43 B13R2.155 c1cc2c(cc1Cl)cc(cn2)Br DA-23946 [1,1,0,0,0,0|2,0,0]=4 44 B13R2.155 c1cc2cnc(=O)[nH]c2cc1Br DA-35907 [1,1,0,0,0,0|2,0,0]=4 45 B13R2.162 c1cc(=O)[nH]c2c1nccc2N DA-35523 [1,1,0,0,0,0|2,0,0]=4 46 B13R2.162 c1cc(=O)[nH]c2c1nccc2N DA-35524 [1,1,0,0,0,0|2,0,0]=4 47 B13R2.328 Cc1cc(=O)[nH]c2c1cccn2 DA-39172 [1,1,0,0,0,0|0,0,0]=2 48 B13R2.328 Cc1cc(c2cccnc2n1)Cl DA-39679 [1,1,0,0,0,0|1,0,1]=4 49 B13R2.328 Cc1cc(nc2c1cccn2)Cl DA-26558 [1,1,0,0,0,0|1,0,1]=4 50 B13R2.328 c1cc2c(nc1)CC(=O)NC2=O DA-30147 [1,1,0,0,0,0|2,0,0]=4 51 B13R2.328 c1cc2cc(cc(c2nc1)F)Br DA-36407 [1,1,0,0,0,0|2,0,0]=4 52 B13R2.328 c1ccc2c(c1)cc(cc2Br)O DA-39801 [1,1,0,0,0,0|2,0,0]=4 53 B13R2.3683 Cc1cc2ccc(=O)[nH]c2nc1 DA-36044 [1,1,0,0,0,0|0,0,0]=2 54 B13R2.3683 Cc1ccc2cc(cnc2c1)Br DA-23935 [1,1,0,0,0,0|2,0,0]=4 55 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)N DA-36618 [1,1,0,0,0,0|1,0,0]=3 56 B13R2.3683 c1cc(=O)oc2c1cc(cc2)Cl DA-36326 [1,1,0,0,0,0|2,0,0]=4 57 B13R2.3683 c1cc(nc2c1cc(cc2)Br)Br DA-41385 [1,1,0,0,0,0|2,0,0]=4 58 B13R2.3683 c1cc2c(cc1F)cnc(=O)[nH]2 DA-36157 [1,1,0,0,0,0|2,0,0]=4 59 B13R2.5179 Cc1ccc2c(ccnc2n1)N DA-35596 [1,1,0,0,0,0|1,0,1]=4 60 B13R2.5179 Cc1ccnc2c1ccc(=O)[nH]2 DA-37162 [1,1,0,0,0,0|0,0,0]=2 61 B13R2.5179 c1cc(=O)[nH]c2c1c(ccn2)Cl DA-37628 [1,1,0,0,0,0|0,0,0]=2 62 B13R2.5179 c1cc2c(ccnc2cc1I)O DA-35632 [1,1,0,0,0,0|2,0,0]=4 63 B13R2.5179 c1cnc2c(c1F)CCC(=O)N2 DA-37358 [1,1,0,0,0,0|0,0,2]=4 64 B13R2.3028 Cc1c([nH]c2c1cc(cn2)Br)C DA-37870 [0,1,0,0,1,0|2,0,0]=4 65 B13R2.3028 Cn1c2cc(cnc2[nH]c1=O)Br DA-36529 [0,1,0,0,1,0|2,0,0]=4 66 B15R2.117 COc1cc2ccccc2cc1C=O DA-23464 [0,2,0,0,0,0|2,0,0]=4 67 B15R2.984 Cc1cc2cccnc2cc1[N+](=O)[O-] DA-35989 [0,2,0,0,0,0|2,0,0]=4 68 B15R2.1754 c1cc(cc2c1cc(c(c2)O)C=O)O DA-42358 [0,2,0,0,0,0|2,0,0]=4 69 B15R2.63893 Cc1cc2cc(ccc2n(c1=O)C)N DA-36625 [0,2,0,0,0,0|2,0,0]=4 70 B15R2.21336 Cc1cc2ccc(cc2[nH]c1=O)OC DA-35900 [0,2,0,0,0,0|2,0,0]=4 71 B13R2.435 CC(=O)c1cc2cnccc2s1 DA-29015 [0,0,1,1,0,0|1,1,0]=4 72 B13R2.435 c1cc2c(cc([nH]2)C(=O)N)nc1 DA-29329 [0,0,1,1,0,0|2,0,0]=4 73 B11R2.1 c1cc2ccn(c2nc1)N DA-29336 [1,0,0,0,1,0|2,0,0]=4 74 B11R2.10 c1cc2c(nc1)sc(=O)o2 DA-30242 [1,0,0,0,1,0|2,0,0]=4 75 B11R2.36 c1cc2c(cc1O)ocn2 DA-36562 [1,0,0,0,1,0|2,0,0]=4