0 B13R2.369 CN1Cc2ccccc2NC1=O DA-24729 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.369 Cc1c(nc2ccccc2n1)Br DA-26890 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.369 c1ccc2c(c1)CC(C(=O)N2)O DA-24730 [0,0,0,0,0,0|0,0,2]=2 3 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)N DA-26664 [0,0,0,0,0,0|2,0,1]=3 4 B13R2.369 c1cncc2c1cc(c(c2)Br)F DA-35758 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.369 c1cncc2c1cc(c(c2)Br)O DA-35756 [0,0,0,0,0,0|3,0,0]=3 6 B13R2.369 c1cncc2c1cc(c(c2)Cl)Br DA-36412 [0,0,0,0,0,0|4,0,0]=4 7 B12R2.24 c1ccc2c(c1)CC(=O)CS2 DA-26187 [1,0,0,0,0,0|2,0,1]=4 8 B12R2.24 c1ccc2c(c1)CN=C(N2)N DA-30227 [1,0,0,0,0,0|2,0,1]=4 9 B14R2.1128 CCc1cc2ccccc2[nH]c1=O DA-23649 [0,1,0,0,0,0|1,0,0]=2 10 B14R2.1128 COc1cc2ccccc2cc1Br DA-26892 [0,1,0,0,0,0|2,0,0]=3 11 B14R2.1128 COc1cc2cccnc2cc1Br DA-35753 [0,1,0,0,0,0|3,0,0]=4 12 B14R2.1128 COc1cc2ccncc2cc1Br DA-35754 [0,1,0,0,0,0|3,0,0]=4 13 B14R2.1128 Cc1cc2cccnc2cc1OC DA-35605 [0,1,0,0,0,0|3,0,0]=4 14 B14R2.1128 c1cc2cc(c(=O)[nH]c2nc1)C#N DA-30325 [0,1,0,0,0,0|2,0,0]=3 15 B14R2.1128 c1ccc2c(c1)cc(c(n2)C=O)Cl DA-23712 [0,1,0,0,0,0|1,0,1]=3 16 B14R2.1128 c1ccc2c(c1)nc(c(n2)Br)C=O DA-23891 [0,1,0,0,0,0|2,0,1]=4 17 B14R2.1128 c1ccc2cc(c(cc2c1)CN)O DA-25022 [0,1,0,0,0,0|2,0,0]=3 18 B14R2.8188 Cc1c(=O)n(c2c(n1)cccn2)C DA-27259 [0,1,0,0,0,0|3,0,0]=4 19 B14R2.8188 Cc1c2ccccc2[nH]c(=S)c1N DA-24278 [0,1,0,0,0,0|1,1,0]=3 20 B14R2.8188 Cn1c2ccccc2cc(c1=O)O DA-23575 [0,1,0,0,0,0|0,0,0]=1 21 B14R2.8188 Cn1c2ccccc2nc(c1=O)Cl DA-23863 [0,1,0,0,0,0|2,0,0]=3 22 B14R2.8239 CC1Cc2cc(ccc2NC1=O)N DA-36597 [0,1,0,0,0,0|1,0,2]=4 23 B14R2.8239 CN1Cc2cc(ccc2NC1=O)N DA-36598 [0,1,0,0,0,0|2,0,1]=4 24 B14R2.8239 CN1Cc2ccc(cc2NC1=O)N DA-35832 [0,1,0,0,0,0|2,0,1]=4 25 B14R2.8239 Cc1c(=O)[nH]c2cc(ccc2n1)Br DA-35778 [0,1,0,0,0,0|2,0,0]=3 26 B14R2.8239 Cc1c(=O)[nH]c2ccc(cc2n1)Br DA-36443 [0,1,0,0,0,0|2,0,0]=3 27 B14R2.8239 Cc1cc2cc(ccc2[nH]c1=O)Br DA-36444 [0,1,0,0,0,0|1,0,0]=2 28 B14R2.8239 Cc1cc2cc(ccc2[nH]c1=O)N DA-36592 [0,1,0,0,0,0|1,0,0]=2 29 B14R2.8239 Cc1cc2ccc(cc2[nH]c1=O)O DA-35902 [0,1,0,0,0,0|1,0,0]=2 30 B14R2.8239 Cc1cc2ccc(nc2[nH]c1=O)N DA-35827 [0,1,0,0,0,0|2,0,0]=3 31 B14R2.8239 Cc1ccc2c(c1)cc(c(=O)[nH]2)Br DA-23943 [0,1,0,0,0,0|1,0,0]=2 32 B14R2.8239 c1cc2c(cc1Br)CC(C(=O)N2)O DA-36459 [0,1,0,0,0,0|0,0,2]=3 33 B12R1.43 c1ccnc(c1)NC(=O)C(=O)O DA-25737 [0,0,1,0,0,0|2,0,0]=3 34 B12R1.43 c1cnccc1\C=C(\C(=O)O)/O DA-31830 [0,0,1,0,0,0|2,0,0]=3 35 B12R1.371 COC(=O)Nc1ccccc1Cl DA-43303 [0,0,1,0,0,0|3,0,0]=4 36 B12R2.18 Cc1cc2ccccc2n1N DA-25960 [0,0,0,0,1,0|3,0,0]=4 37 B12R2.18 c1ccc2c(c1)C(=O)C(=O)O2 DA-27457 [0,0,0,0,1,0|1,0,1]=3 38 B13R2.32 CN1c2ccccc2NCC1=O DA-24832 [1,1,0,0,0,0|1,0,1]=4 39 B13R2.32 c1cc(c(c2c1cncc2)Br)O DA-37710 [1,1,0,0,0,0|2,0,0]=4 40 B13R2.32 c1cc(c(c2c1cncc2)Cl)O DA-37469 [1,1,0,0,0,0|2,0,0]=4 41 B13R2.32 c1cc(c(c2c1cncc2)I)O DA-37267 [1,1,0,0,0,0|2,0,0]=4 42 B13R2.32 c1ccc2c(c1)c(c(cn2)I)Cl DA-39640 [1,1,0,0,0,0|1,0,1]=4 43 B13R2.32 c1ccc2c(c1)c(c(cn2)I)O DA-23521 [1,1,0,0,0,0|1,0,1]=4 44 B13R2.32 c1ccc2c(c1)c(c(cn2)N)Br DA-39863 [1,1,0,0,0,0|1,0,1]=4 45 B13R2.32 c1ccc2c(c1)c(c(cn2)N)Cl DA-39631 [1,1,0,0,0,0|1,0,1]=4 46 B13R2.32 c1ccc2c(c1)ccc(c2Br)Br DA-30333 [1,1,0,0,0,0|2,0,0]=4 47 B13R2.57 c1cc2ccc(cc2nc1)CO DA-35562 [1,1,0,0,0,0|2,0,0]=4 48 B13R2.57 c1cc2cnccc2cc1CO DA-36093 [1,1,0,0,0,0|2,0,0]=4 49 B13R2.57 c1ccc2c(c1)cc(cn2)NN DA-23576 [1,1,0,0,0,0|1,0,1]=4 50 B13R2.155 Cc1ccc2c(c1)NC(=O)CC2 DA-24699 [1,1,0,0,0,0|0,0,2]=4 51 B13R2.155 Cc1ccc2c(n1)[nH]c(=O)cn2 DA-35982 [1,1,0,0,0,0|2,0,0]=4 52 B13R2.155 c1cc(cc2c1ccc(=O)o2)Cl DA-35728 [1,1,0,0,0,0|1,0,0]=3 53 B13R2.155 c1cc(cc2c1ccc(n2)Br)F DA-43471 [1,1,0,0,0,0|1,0,1]=4 54 B13R2.155 c1cc(cc2c1ccc(n2)Cl)F DA-42426 [1,1,0,0,0,0|1,0,1]=4 55 B13R2.155 c1cc(nc2c1ccc(=O)[nH]2)N DA-35840 [1,1,0,0,0,0|1,0,0]=3 56 B13R2.155 c1cc2c(cc1Cl)cc(cn2)Br DA-23946 [1,1,0,0,0,0|1,0,1]=4 57 B13R2.155 c1cc2cnc(=O)[nH]c2cc1Br DA-35907 [1,1,0,0,0,0|1,0,0]=3 58 B13R2.162 Cc1cc2c(cccc2O)nc1 DA-23333 [1,1,0,0,0,0|1,0,1]=4 59 B13R2.162 c1cc(=O)[nH]c2c1nccc2N DA-35523 [1,1,0,0,0,0|1,0,0]=3 60 B13R2.162 c1cc(=O)[nH]c2c1nccc2N DA-35524 [1,1,0,0,0,0|1,0,0]=3 61 B13R2.162 c1cc(cc2c1ccnc2N)O DA-29819 [1,1,0,0,0,0|2,0,0]=4 62 B13R2.162 c1cc2ccc(cc2c(c1)O)N DA-35839 [1,1,0,0,0,0|2,0,0]=4 63 B13R2.162 c1cc2ccc(nc2c(c1)Cl)Br DA-26747 [1,1,0,0,0,0|1,0,1]=4 64 B13R2.162 c1cc2ccc(nc2c(c1)O)I DA-26087 [1,1,0,0,0,0|1,0,1]=4 65 B13R2.328 Cc1cc(=O)[nH]c2c1cccn2 DA-39172 [1,1,0,0,0,0|1,0,0]=3 66 B13R2.328 Cc1cc(=O)c2c([nH]1)cccn2 DA-48282 [1,1,0,0,0,0|2,0,0]=4 67 B13R2.328 Cc1cc(cc2c1cncc2)O DA-35420 [1,1,0,0,0,0|2,0,0]=4 68 B13R2.328 Cc1cc2ccccc2c(c1)Cl DA-29560 [1,1,0,0,0,0|2,0,0]=4 69 B13R2.328 c1ccc2c(c1)cc(cc2Br)Br DA-30282 [1,1,0,0,0,0|2,0,0]=4 70 B13R2.328 c1ccc2c(c1)cc(cc2Br)O DA-39801 [1,1,0,0,0,0|1,0,0]=3 71 B13R2.3683 Cc1cc2ccc(=O)[nH]c2nc1 DA-36044 [1,1,0,0,0,0|1,0,0]=3 72 B13R2.3683 Cc1ccc2cc(cnc2c1)Br DA-23935 [1,1,0,0,0,0|1,0,1]=4 73 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)N DA-36618 [1,1,0,0,0,0|0,0,0]=2 74 B13R2.3683 c1cc(=O)oc2c1cc(cc2)Cl DA-36326 [1,1,0,0,0,0|1,0,0]=3 75 B13R2.3683 c1cc(cc2c1cc(=O)[nH]c2)Br DA-35783 [1,1,0,0,0,0|2,0,0]=4 76 B13R2.3683 c1cc(nc2c1cc(cc2)Br)Br DA-41385 [1,1,0,0,0,0|1,0,1]=4 77 B13R2.3683 c1cc2c(cc1F)cnc(=O)[nH]2 DA-36157 [1,1,0,0,0,0|1,0,0]=3 78 B13R2.3683 c1cc2c(cc1O)CNC(=O)N2 DA-40207 [1,1,0,0,0,0|1,0,1]=4 79 B13R2.5179 Cc1ccnc2c1ccc(=O)[nH]2 DA-37162 [1,1,0,0,0,0|1,0,0]=3 80 B13R2.5179 c1cc(=O)[nH]c2c1c(ccn2)Cl DA-37628 [1,1,0,0,0,0|1,0,0]=3 81 B13R2.5179 c1cc(c2c(c1)NC(=O)NC2)N DA-38024 [1,1,0,0,0,0|1,0,1]=4 82 B13R2.5179 c1cc2c(ccnc2Cl)cc1O DA-29526 [1,1,0,0,0,0|2,0,0]=4 83 B13R2.5179 c1cc2c(ccoc2=O)cc1O DA-36130 [1,1,0,0,0,0|2,0,0]=4 84 B13R2.5179 c1cc2cc(cnc2c(c1)Cl)Br DA-23933 [1,1,0,0,0,0|1,0,1]=4 85 B13R2.5179 c1cc2cc(cnc2c(c1)F)Br DA-23932 [1,1,0,0,0,0|1,0,1]=4 86 B13R2.135 Cc1c(c2ccccc2s1)C=O DA-25811 [0,1,0,0,1,0|2,0,0]=4 87 B13R2.135 Cc1cc2ccccn2c1C=O DA-25911 [0,1,0,0,1,0|2,0,0]=4 88 B13R2.5190 c1cc2c(cc1Cl)CC(=O)C2=O DA-37634 [0,1,0,0,1,0|0,0,2]=4 89 B13R2.5190 c1cc2c(cc1O)CC(=O)C2=O DA-37304 [0,1,0,0,1,0|0,0,2]=4 90 B15R2.117 COc1cc2ccccc2cc1C=O DA-23464 [0,2,0,0,0,0|1,0,0]=3 91 B15R2.984 CC(=O)c1cc2cnccc2[nH]c1=O DA-24378 [0,2,0,0,0,0|1,0,1]=4 92 B15R2.984 c1ccc2c(c1)cc(c(=O)o2)C(=O)Cl DA-25733 [0,2,0,0,0,0|1,0,1]=4 93 B15R2.984 c1ccc2c(c1)cc(c(=O)s2)C(=O)N DA-25734 [0,2,0,0,0,0|1,0,1]=4 94 B15R2.984 c1ccc2c(c1)cc(c(n2)C(=O)O)N DA-24307 [0,2,0,0,0,0|1,0,1]=4 95 B15R2.984 c1ccc2cc(c(cc2c1)C(=O)N)N DA-24309 [0,2,0,0,0,0|2,0,0]=4 96 B15R2.1754 c1cc(cc2c1cc(c(c2)O)C=O)O DA-42358 [0,2,0,0,0,0|1,0,0]=3 97 B15R2.21243 Cn1c2ccccc2nc(c1=O)CI DA-24892 [0,2,0,0,0,0|2,0,0]=4 98 B15R2.63893 Cc1cc2cc(ccc2n(c1=O)C)N DA-36625 [0,2,0,0,0,0|1,0,0]=3 99 B15R2.21336 Cc1cc2ccc(cc2[nH]c1=O)OC DA-35900 [0,2,0,0,0,0|1,0,0]=3 100 B13R2.435 c1cc2c(cc([nH]2)C(=O)N)nc1 DA-29329 [0,0,1,1,0,0|2,0,0]=4 101 B13R2.435 c1ccc2c(c1)CC(=C2)C(=O)O DA-29352 [0,0,1,1,0,0|2,0,0]=4 102 B13R2.435 c1ccc2c(c1)[nH]c(n2)C(=O)O DA-29364 [0,0,1,1,0,0|2,0,0]=4 103 B13R2.435 c1ccn2cc(nc2c1)C(=O)N DA-33549 [0,0,1,1,0,0|2,0,0]=4 104 B13R2.435 c1cncc2c1cc(o2)C(=O)Cl DA-33616 [0,0,1,1,0,0|2,0,0]=4 105 B11R1.222 c1ccc(c(c1)C(=O)CO)Cl DA-31414 [0,0,1,0,1,0|1,0,1]=4 106 B11R2.1 c1cncc2c1[nH]cc2Cl DA-23864 [1,0,0,0,1,0|2,0,0]=4 107 B11R2.10 c1cncc2c1[nH]c(=O)o2 DA-41700 [1,0,0,0,1,0|2,0,0]=4 108 B11R2.10 c1cncc2c1oc(=O)[nH]2 DA-42001 [1,0,0,0,1,0|2,0,0]=4