0 B15R2.321 CC1C(=NN(C1=O)c2ccccc2)C CSC011390981 [0,0,0,0,0,0|4,0,0]=4 1 B14R2.260 CN1N=C(CC1=O)c2ccccc2 CSC000175195 [1,0,0,0,0,0|1,0,1]=3 2 B14R2.4514 Cn1nnn(c1=O)c2ccccc2 CSC000021491 [1,0,0,0,0,0|3,0,0]=4 3 B14R1.756 CC=C(C)C(=O)OCc1ccccc1 CSC015274630 [0,0,1,0,0,0|3,0,0]=4 4 B13R1.11 CNC(=O)CC(C)c1ccccc1 CSC000002954 [1,0,1,0,0,0|0,0,1]=3 5 B13R1.11 COC(=O)CC(C)c1ccccc1 CSC000000072 [1,0,1,0,0,0|1,0,1]=4 6 B13R1.152 CN(C)C(=O)C(F)c1ccccc1 CSC010273344 [1,0,1,0,0,0|1,0,1]=4 7 B13R1.351 CN(C)C(=O)CCc1ccccc1 CSC000159569 [1,0,1,0,0,0|0,0,1]=3 8 B13R1.351 CN(C)C(=O)CCc1ccncc1 CSC011219094 [1,0,1,0,0,0|1,0,1]=4 9 B13R1.351 CN(C)C(=O)COc1ccccc1 CSC000150557 [1,0,1,0,0,0|1,0,1]=4 10 B13R1.351 CN(C)C(=O)CSc1ccccc1 CSC000150696 [1,0,1,0,0,0|1,0,1]=4 11 B13R1.351 CN(C)C(=O)NCc1ccccc1 CSC000217963 [1,0,1,0,0,0|1,0,1]=4 12 B13R1.405 CC(=O)N(CC=C)c1ccccc1 CSC000025029 [1,0,1,0,0,0|2,0,0]=4 13 B13R1.42 CCNC(=O)CCc1ccccc1 CSC000160125 [1,0,1,0,0,0|1,0,1]=4 14 B13R2.10 Cn1cnc(c1)c2ccccc2 CSC009840319 [2,0,0,0,0,0|1,0,1]=4 15 B13R2.10 O=C1CC(=NN1)c2ccccc2 CSC000175146 [2,0,0,0,0,0|1,0,1]=4 16 B15R1.578 CC(C(=O)N(C)CCN)c1ccccc1 CSC014325066 [0,1,1,0,0,0|1,0,1]=4 17 B15R1.578 CN(CC=C)C(=O)C(N)c1ccccc1 CSC013051116 [0,1,1,0,0,0|2,0,0]=4 18 B15R1.646 CCN(CC)C(=O)C(C)c1ccccc1 CSC012339590 [0,1,1,0,0,0|1,0,1]=4 19 B15R1.1326 CCN(C)C(=O)C(C)(N)c1ccccc1 CSC011687632 [0,1,1,0,0,0|1,0,1]=4 20 B15R1.1329 CCN(C)C(=O)C(CN)c1ccccc1 CSC011767643 [0,1,1,0,0,0|1,0,1]=4 21 B15R1.8301 CC(C)N(C)C(=O)Cc1cccc(c1)N CSC011690100 [0,1,1,0,0,0|1,0,1]=4 22 B15R1.3197 CCC(=O)N(CC(=O)O)c1ccccc1 CSC011354806 [0,1,1,0,0,0|2,0,0]=4 23 B15R1.3197 COC(=O)C(NC(=O)C)c1ccccc1 CSC011611459 [0,1,1,0,0,0|2,0,0]=4 24 B15R1.488 CCN(CC)C(=O)CCc1ccccc1 CSC000158743 [0,1,1,0,0,0|1,0,1]=4 25 B15R1.826 CN(CC=C)C(=O)CNc1ccccc1 CSC013051015 [0,1,1,0,0,0|2,0,0]=4 26 B15R1.826 CN(CCN)C(=O)CCc1ccccc1 CSC011454826 [0,1,1,0,0,0|1,0,1]=4 27 B15R1.947 CCN(C)C(=O)CC(N)c1ccccc1 CSC011281843 [0,1,1,0,0,0|1,0,1]=4 28 B15R1.1323 CCN(C)C(=O)CCc1ccccc1N CSC011289571 [0,1,1,0,0,0|1,0,1]=4 29 B15R1.3678 CC(C(=O)O)C(=O)NCc1ccccc1 CSC013033804 [0,1,1,0,0,0|2,0,0]=4 30 B15R2.7088 CN1C(=O)NC(C1=O)(C)c2cccs2 CSC000053950 [0,1,0,0,1,0|2,0,0]=4 31 B17R2.346685 CN1C(=O)NC(C1=O)(C)c2ccc(cc2)F CSC048217069 [0,2,0,0,0,0|1,0,0]=3 32 B15R2.4244 CN(C1Cc2ccccc2C1)C(=O)C CSC000054450 [0,0,1,1,0,0|1,0,1]=4 33 B15R2.23388 COC(=O)C1CC(=O)c2c1cccc2 CSC000078521 [0,0,1,1,0,0|1,0,0]=3 34 B15R1.496 CC(NC(=O)C)C(=O)Nc1ccccc1 CSC000153463 [0,0,1,0,0,1|2,0,0]=4 35 B15R1.496 CN(CC(=O)O)C(=O)Cc1cccnc1 CSC011724295 [0,0,1,0,0,1|2,0,0]=4 36 B15R1.1321 CC=C(C)C(=O)OCCc1ccccc1 CSC030955451 [0,0,1,0,0,1|2,0,0]=4 37 B15R1.1321 CCN(C)C(=O)CNCc1ccccc1 CSC011289610 [0,0,1,0,0,1|1,0,1]=4 38 B15R2.325 O=C1CC(C(=O)N1)Nc2ccccc2 CSC000188954 [1,0,0,0,0,1|0,0,0]=2 39 B17R2.5355 CN1C(=O)CCC(C1=O)Nc2cnccn2 CSC006026003 [0,0,0,0,0,2|2,0,0]=4 40 B17R2.5355 CN1C(=O)CCC(C1=O)Nc2ncccn2 CSC006026005 [0,0,0,0,0,2|2,0,0]=4