0 B12R2.18 Cn1c2ccccc2oc1=O CSC000171226 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.3085 CN1C(=O)c2ccccc2C1=O CSC000170155 [0,1,0,0,0,0|3,0,0]=4 2 B11R1.36 CN(C(=O)C)c1ccccn1 CSC000243587 [0,0,1,0,0,0|2,0,1]=4 3 B11R1.36 CN(C)C(=O)c1ccccc1 CSC000159565 [0,0,1,0,0,0|3,0,0]=4 4 B11R1.40 CCC(=O)Nc1ccccc1 CSC000153483 [0,0,1,0,0,0|2,0,1]=4 5 B11R1.40 CCC(=O)Oc1ccccc1 CSC000001944 [0,0,1,0,0,0|1,0,1]=3 6 B11R1.40 CCC(C)Sc1ccccc1 CSC009831573 [0,0,1,0,0,0|0,1,2]=4 7 B11R1.40 CCN(C)Cc1ccccc1 CSC000018720 [0,0,1,0,0,0|2,0,1]=4 8 B11R1.40 CNC(=O)Nc1ccccc1 CSC000178567 [0,0,1,0,0,0|3,0,0]=4 9 B11R1.40 COC(=O)Oc1ccccc1 CSC000020726 [0,0,1,0,0,0|2,0,0]=3 10 B11R1.41 CCNc1ccccc1CC CSC000221538 [0,0,1,0,0,0|1,0,2]=4 11 B11R1.41 CCNc1ccccc1OC CSC000219754 [0,0,1,0,0,0|2,0,1]=4 12 B11R1.41 CCOc1ccccc1CO CSC000708577 [0,0,1,0,0,0|1,0,2]=4 13 B11R1.41 CCOc1ccccc1OC CSC000005897 [0,0,1,0,0,0|1,0,1]=3 14 B11R1.41 CCOc1ccccc1SC CSC010366423 [0,0,1,0,0,0|1,0,1]=3 15 B11R1.41 CCSc1ccccc1OC CSC000055740 [0,0,1,0,0,0|1,1,1]=4 16 B11R1.41 COc1ccccc1CSC CSC000053060 [0,0,1,0,0,0|3,0,0]=4 17 B11R1.222 CNC(=O)c1ccccc1Br CSC000155073 [0,0,1,0,0,0|3,0,0]=4 18 B11R1.222 CNC(=O)c1ccccc1C CSC000159864 [0,0,1,0,0,0|3,0,0]=4 19 B11R1.222 CNC(=O)c1ccccc1Cl CSC000159797 [0,0,1,0,0,0|3,0,0]=4 20 B11R1.222 CNC(=O)c1ccccc1Cl CSC000159797 [0,0,1,0,0,0|3,0,0]=4 21 B11R1.222 CNC(=O)c1ccccc1I CSC000155083 [0,0,1,0,0,0|3,0,0]=4 22 B11R1.222 CNC(=O)c1ccccc1O CSC000185920 [0,0,1,0,0,0|2,0,0]=3 23 B11R1.222 COC(=O)c1ccccc1Cl CSC000150121 [0,0,1,0,0,0|3,0,0]=4 24 B11R1.222 COC(=O)c1ccccc1I CSC000148710 [0,0,1,0,0,0|3,0,0]=4 25 B11R1.222 NNC(=O)c1ccccc1O CSC000186518 [0,0,1,0,0,0|3,0,0]=4 26 B13R2.32 Cn1ncc2ccccc2c1=O CSC015946782 [0,0,0,0,0,1|3,0,0]=4 27 B10R1.4 CCOc1ccccc1Cl CSC000169953 [1,0,1,0,0,0|1,0,1]=4 28 B10R1.4 CCOc1ccccc1F CSC000172994 [1,0,1,0,0,0|1,0,1]=4 29 B10R1.4 CCSc1ccccc1C CSC000053911 [1,0,1,0,0,0|0,1,1]=4 30 B10R1.20 COc1ccccc1SC CSC000037525 [1,0,1,0,0,0|1,0,0]=3 31 B12R1.20 CN(C(=O)C)c1ccc(cc1)O CSC000743460 [0,1,1,0,0,0|1,0,1]=4 32 B12R1.34 CCC(=O)N(C)c1ccccc1 CSC000158323 [0,1,1,0,0,0|1,0,1]=4 33 B12R1.34 CN(C(=O)CN)c1ccccc1 CSC000174886 [0,1,1,0,0,0|1,0,1]=4 34 B12R1.124 CN(C(=O)C)c1ccccc1C CSC012109126 [0,1,1,0,0,0|1,0,1]=4 35 B12R1.478 CCN(C(=O)C)c1ccccc1 CSC000189716 [0,1,1,0,0,0|1,0,1]=4 36 B12R1.32 CCCC(=O)Oc1ccccc1 CSC000001941 [0,1,1,0,0,0|1,0,1]=4 37 B12R1.43 CC(C)C(=O)Oc1ccccc1 CSC000001937 [0,1,1,0,0,0|1,0,1]=4 38 B12R1.43 CN(Cc1ccccc1)C(=O)C CSC000152884 [0,1,1,0,0,0|2,0,0]=4 39 B12R1.49 CCC(=O)Oc1ccc(cc1)Br CSC009811598 [0,1,1,0,0,0|1,0,1]=4 40 B12R1.49 CCC(=O)Oc1ccc(cc1)Cl CSC000001868 [0,1,1,0,0,0|1,0,1]=4 41 B12R1.371 CCC(=O)Oc1ccccc1Cl CSC000001856 [0,1,1,0,0,0|1,0,1]=4 42 B12R1.75 CC(=O)Oc1ccccc1C#N CSC000001326 [0,1,1,0,0,0|1,0,1]=4 43 B12R1.75 CCc1ccccc1NC(=O)C CSC000154698 [0,1,1,0,0,0|1,0,1]=4 44 B12R1.75 COc1ccccc1OC(=O)C CSC000002000 [0,1,1,0,0,0|1,0,0]=3 45 B12R1.112 CCOc1ccc(cc1OC)Br CSC012344064 [0,1,1,0,0,0|1,0,1]=4 46 B12R1.112 CCOc1ccc(cc1OC)C CSC000006307 [0,1,1,0,0,0|1,0,1]=4 47 B12R1.121 CCCOc1ccccc1SC CSC010368029 [0,1,1,0,0,0|1,0,1]=4 48 B12R1.121 COc1ccccc1OCC=C CSC000006401 [0,1,1,0,0,0|1,0,1]=4 49 B12R1.121 COc1ccccc1OCCO CSC011305853 [0,1,1,0,0,0|1,0,1]=4 50 B12R1.169 CCNc1ccccc1OCC CSC000221050 [0,1,1,0,0,0|0,0,2]=4 51 B12R1.169 CCOc1ccccc1CC=C CSC011198606 [0,1,1,0,0,0|0,0,2]=4 52 B12R1.169 CCOc1ccccc1CCO CSC011754905 [0,1,1,0,0,0|0,0,2]=4 53 B12R1.169 CCOc1ccccc1OCC CSC000170581 [0,1,1,0,0,0|0,0,2]=4 54 B12R1.268 CCOc1cc(ccc1OC)Br CSC010219349 [0,1,1,0,0,0|1,0,1]=4 55 B12R1.24 COC(=O)c1cccc(c1O)Br CSC009816214 [0,1,1,0,0,0|2,0,0]=4 56 B12R1.24 COC(=O)c1cccc(c1O)C CSC000149854 [0,1,1,0,0,0|2,0,0]=4 57 B12R1.308 CCNC(=O)c1ccccc1O CSC000192205 [0,1,1,0,0,0|1,0,1]=4 58 B12R1.308 CCOC(=O)c1ccccc1O CSC000169922 [0,1,1,0,0,0|1,0,1]=4 59 B12R1.354 COC(=O)c1cc(ccc1O)C CSC000216618 [0,1,1,0,0,0|2,0,0]=4 60 B12R1.354 COC(=O)c1cc(ccc1O)F CSC011219540 [0,1,1,0,0,0|2,0,0]=4 61 B12R1.354 COC(=O)c1cc(ccc1O)I CSC000149868 [0,1,1,0,0,0|2,0,0]=4 62 B12R1.354 COC(=O)c1cc(ccc1O)O CSC011203519 [0,1,1,0,0,0|2,0,0]=4 63 B12R1.1703 COC(=O)c1ccc(cc1O)F CSC011216117 [0,1,1,0,0,0|2,0,0]=4 64 B12R1.3441 COC(=O)c1c(cccc1F)O CSC011216559 [0,1,1,0,0,0|2,0,0]=4 65 B12R2.32 CSc1nc2ccccc2[nH]1 CSC000169833 [1,1,0,0,0,0|2,0,0]=4 66 B12R2.32 CSc1nc2ccccc2o1 CSC000000691 [1,1,0,0,0,0|1,0,0]=3 67 B12R2.32 CSc1nc2ccccc2s1 CSC000000696 [1,1,0,0,0,0|1,1,0]=4 68 B14R2.92 COc1ccc2ccccc2c1Br CSC000173347 [0,1,0,0,0,1|2,0,0]=4 69 B14R2.1019 CCc1nc2ccccc2c(=O)[nH]1 CSC011386804 [0,1,0,0,0,1|2,0,0]=4 70 B14R2.1019 CSc1nc2ccccc2c(=O)[nH]1 CSC015683295 [0,1,0,0,0,1|2,0,0]=4 71 B14R2.1146 CSc1cc(nc2c1cccc2)C CSC016055651 [0,1,0,0,0,1|1,0,0]=3 72 B14R2.8235 Cc1ccc2nc([nH]c(=O)c2c1)C CSC011386839 [0,1,0,0,0,1|2,0,0]=4 73 B14R2.8235 Cc1nc2ccc(cc2c(=O)[nH]1)Br CSC000741707 [0,1,0,0,0,1|2,0,0]=4 74 B14R2.8235 Cc1nc2ccc(cc2c(=O)[nH]1)Cl CSC011386830 [0,1,0,0,0,1|2,0,0]=4 75 B14R2.8235 Cc1nc2ccc(cc2c(=O)[nH]1)O CSC011996445 [0,1,0,0,0,1|2,0,0]=4 76 B14R2.450 Cc1c(oc2c1cccc2)C(=O)N CSC000192827 [0,2,0,0,0,0|0,0,1]=3 77 B14R2.1129 CCn1c(nc2c1cccc2)CO CSC000186714 [0,2,0,0,0,0|2,0,0]=4 78 B14R2.1129 CCn1c(nc2c1cccc2)SC CSC000006006 [0,2,0,0,0,0|2,0,0]=4 79 B14R2.517 C=CCn1c2ccccc2oc1=O CSC000006487 [0,2,0,0,0,0|2,0,0]=4 80 B14R2.517 OCCn1c2ccccc2oc1=O CSC000753243 [0,2,0,0,0,0|2,0,0]=4 81 B14R2.4217 CCn1c2ccc(cc2oc1=O)Br CSC011274150 [0,2,0,0,0,0|2,0,0]=4 82 B14R2.1815 COc1ccc2n(c(cc2c1)C)C CSC000009662 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.107 CC(NC(=O)C)c1ccccc1 CSC000158019 [0,0,1,0,0,1|0,0,2]=4 84 B12R1.107 CC(OC(=O)C)c1ccccc1 CSC000000578 [0,0,1,0,0,1|0,0,2]=4 85 B12R1.107 CN(NC(=O)C)c1ccccc1 CSC000017130 [0,0,1,0,0,1|1,0,1]=4 86 B12R1.107 C[C@@H](NC(=O)C)c1ccccc1 CSC011908465 [0,0,1,0,0,1|0,0,2]=4 87 B12R1.107 C[C@H](NC(=O)C)c1ccccc1 CSC011908453 [0,0,1,0,0,1|0,0,2]=4 88 B12R1.27 CCC(=O)OCc1ccccc1 CSC000000848 [0,0,1,0,0,1|1,0,1]=4 89 B12R1.27 CNC(=O)COc1ccccc1 CSC000150564 [0,0,1,0,0,1|2,0,0]=4 90 B12R1.27 COC(=O)COc1ccccc1 CSC000148705 [0,0,1,0,0,1|2,0,0]=4