0 B14R1.756 CC=C(C)C(=O)OCc1ccccc1 CSC015274630 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.756 CCC(C)C(=O)NCc1ccccn1 CSC046448686 [0,0,0,0,0,0|2,0,2]=4 2 B14R1.756 CNC(=O)C(=O)NCc1ccccc1 CSC000076519 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.42 CCCC(=O)NCc1ccccc1 CSC000153126 [1,0,0,0,0,0|1,0,2]=4 4 B13R1.42 CCCC(=O)OCc1ccccc1 CSC000000759 [1,0,0,0,0,0|0,0,2]=3 5 B13R1.42 CCNC(=O)CCc1ccccc1 CSC000160125 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.42 CCOC(=O)CCc1ccccc1 CSC000170145 [1,0,0,0,0,0|2,0,1]=4 7 B13R1.351 CC(C)C(=O)NCc1ccccc1 CSC000153120 [1,0,0,0,0,0|1,0,1]=3 8 B13R1.351 CC(C)C(=O)NCc1ccccn1 CSC000154893 [1,0,0,0,0,0|2,0,1]=4 9 B13R1.351 CC(C)C(=O)NCc1cccnc1 CSC000154917 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.351 CC(C)C(=O)NCc1ccncc1 CSC000154905 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.351 CC(C)C(=O)NNc1ccccc1 CSC000001584 [1,0,0,0,0,0|2,0,1]=4 12 B13R1.351 CC(C)C(=O)OCc1ccccc1 CSC000000732 [1,0,0,0,0,0|0,0,1]=2 13 B13R1.351 CN(C)C(=O)C#Cc1ccccc1 CSC015389817 [1,0,0,0,0,0|2,0,1]=4 14 B13R1.351 CN(C)C(=O)CCc1ccccc1 CSC000159569 [1,0,0,0,0,0|2,0,0]=3 15 B13R1.351 CN(C)C(=O)CCc1ccncc1 CSC011219094 [1,0,0,0,0,0|3,0,0]=4 16 B13R1.351 CN(C)C(=O)COc1ccccc1 CSC000150557 [1,0,0,0,0,0|3,0,0]=4 17 B13R1.351 CN(C)C(=O)CSc1ccccc1 CSC000150696 [1,0,0,0,0,0|3,0,0]=4 18 B13R1.351 CN(C)C(=O)NCc1ccccc1 CSC000217963 [1,0,0,0,0,0|2,0,0]=3 19 B13R1.351 CN(C)C(=O)NCc1cccnc1 CSC000233836 [1,0,0,0,0,0|3,0,0]=4 20 B13R1.351 OC(=O)C(=O)NCc1ccccc1 CSC000238767 [1,0,0,0,0,0|3,0,0]=4 21 B15R1.348 CCC(C)(C)C(=O)NCc1ccccc1 CSC011766599 [0,1,0,0,0,0|1,0,2]=4 22 B15R1.488 CCC(CC)C(=O)NCc1ccccc1 CSC000153238 [0,1,0,0,0,0|1,0,2]=4 23 B15R1.488 CCN(CC)C(=O)CCc1ccccc1 CSC000158743 [0,1,0,0,0,0|2,0,1]=4 24 B15R1.488 CCN(CC)C(=O)NCc1ccccc1 CSC000217847 [0,1,0,0,0,0|2,0,1]=4 25 B15R1.826 CCCC(C)C(=O)NCc1ccccc1 CSC000153277 [0,1,0,0,0,0|1,0,2]=4 26 B15R1.826 CN(CCN)C(=O)CCc1ccccc1 CSC011454826 [0,1,0,0,0,0|2,0,1]=4 27 B15R1.826 CN(CCN)C(=O)NCc1ccccc1 CSC014267023 [0,1,0,0,0,0|2,0,1]=4 28 B15R1.826 CNCC(C)C(=O)NCc1ccccc1 CSC012525369 [0,1,0,0,0,0|1,0,2]=4 29 B15R1.947 CCN(C)C(=O)CC(N)c1ccccc1 CSC011281843 [0,1,0,0,0,0|2,0,1]=4 30 B15R1.947 CNC(=O)C(=O)NC(C)c1ccccc1 CSC040675395 [0,1,0,0,0,0|3,0,0]=4 31 B15R1.973 CCN(C)C(=O)C(N)Cc1ccccc1 CSC011281852 [0,1,0,0,0,0|2,0,1]=4 32 B15R1.973 CCN(C)C(=O)[C@@H](N)Cc1ccccc1 CSC011423345 [0,1,0,0,0,0|2,0,1]=4 33 B15R1.1001 CCC(C)C(=O)NCc1ccc(cc1)C CSC046643663 [0,1,0,0,0,0|1,0,2]=4 34 B15R1.1001 CCC(C)C(=O)NCc1ccc(cc1)F CSC026557708 [0,1,0,0,0,0|1,0,2]=4 35 B15R1.1001 CNC(=O)C(=O)NCc1ccc(cc1)C CSC011100453 [0,1,0,0,0,0|3,0,0]=4 36 B15R1.1001 CNC(=O)C(=O)NCc1ccc(cc1)Cl CSC048087339 [0,1,0,0,0,0|3,0,0]=4 37 B15R1.1001 CNC(=O)C(=O)NCc1ccc(cc1)F CSC044750724 [0,1,0,0,0,0|3,0,0]=4 38 B15R1.1002 CCN(C)C(=O)NCc1cccc(c1)Br CSC011751041 [0,1,0,0,0,0|2,0,1]=4 39 B15R1.1002 CCN(C)C(=O)NCc1cccc(c1)F CSC011743065 [0,1,0,0,0,0|2,0,1]=4 40 B15R1.1002 CNC(=O)C(=O)NCc1cccc(c1)C CSC046486301 [0,1,0,0,0,0|3,0,0]=4 41 B15R1.1002 CNC(=O)C(=O)NCc1cccc(c1)Cl CSC047700184 [0,1,0,0,0,0|3,0,0]=4 42 B15R1.1323 CCN(C)C(=O)CCc1ccccc1N CSC011289571 [0,1,0,0,0,0|2,0,1]=4 43 B15R1.1323 CNC(=O)C(=O)NCc1ccccc1C CSC000027834 [0,1,0,0,0,0|3,0,0]=4 44 B15R1.1323 CNC(=O)C(=O)NCc1ccccc1Cl CSC042713357 [0,1,0,0,0,0|3,0,0]=4 45 B15R1.3678 CC(C(=O)O)C(=O)NCc1ccccc1 CSC013033804 [0,1,0,0,0,0|2,0,1]=4 46 B15R1.3678 CC(N)C(C)C(=O)NCc1ccccc1 CSC013349619 [0,1,0,0,0,0|1,0,2]=4 47 B15R2.24490 O=C(NCc1ccccc1)C2CCC2 CSC000153182 [0,0,0,1,0,0|1,0,2]=4 48 B13R1.135 CCC(C)C(=O)Nc1ccccc1 CSC011195862 [0,0,0,0,1,0|1,0,2]=4 49 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 CSC000027866 [0,0,0,0,1,0|3,0,0]=4 50 B15R1.741 CCC(C)NC(=O)NCc1ccccc1 CSC000217688 [0,0,0,0,0,1|1,0,2]=4 51 B15R1.1321 CC=C(C)C(=O)OCCc1ccccc1 CSC030955451 [0,0,0,0,0,1|0,0,0]=1 52 B15R1.1321 CCC(C)C(=O)NCCc1ccccc1 CSC000026123 [0,0,0,0,0,1|1,0,2]=4 53 B15R1.1321 CCN(C)C(=O)CNCc1ccccc1 CSC011289610 [0,0,0,0,0,1|2,0,1]=4 54 B15R1.1321 CNC(=O)C(=O)NCCc1ccccc1 CSC044010485 [0,0,0,0,0,1|3,0,0]=4 55 B12R1.27 CCC(=O)NCc1ccccc1 CSC000153145 [2,0,0,0,0,0|1,0,1]=4 56 B12R1.27 CCC(=O)OCc1ccccc1 CSC000000848 [2,0,0,0,0,0|0,0,1]=3 57 B12R1.27 CNC(=O)CCc1ccccc1 CSC000159837 [2,0,0,0,0,0|2,0,0]=4 58 B12R1.27 CNC(=O)NCc1ccccc1 CSC000222791 [2,0,0,0,0,0|2,0,0]=4 59 B12R1.27 COC(=O)NCc1ccccc1 CSC000235978 [2,0,0,0,0,0|2,0,0]=4 60 B12R1.252 CC(=C)CNCc1ccccc1 CSC000224140 [2,0,0,0,0,0|1,0,1]=4 61 B12R1.252 CC(=CCOc1ccccc1)C CSC000173691 [2,0,0,0,0,0|2,0,0]=4 62 B14R1.156 CCCCC(=O)OCc1ccccc1 CSC000000752 [1,1,0,0,0,0|0,0,2]=4 63 B14R1.502 CCNC(=O)OCc1ccc(cc1)Cl CSC049084430 [1,1,0,0,0,0|1,0,1]=4 64 B14R1.161 CC(C)C(=O)NCc1ccccc1C CSC000175809 [1,1,0,0,0,0|1,0,1]=4 65 B14R1.161 CC(C)C(=O)NCc1ccccc1Cl CSC000155628 [1,1,0,0,0,0|1,0,1]=4 66 B14R1.161 CN(C)C(=O)CCc1ccccc1F CSC046625957 [1,1,0,0,0,0|2,0,0]=4 67 B14R1.161 CN(C)C(=O)CCc1ccccc1N CSC011289568 [1,1,0,0,0,0|2,0,0]=4 68 B14R1.161 CN(C)C(=O)NCc1ccccc1Br CSC011597725 [1,1,0,0,0,0|2,0,0]=4 69 B14R1.161 CN(C)C(=O)NCc1ccccc1C CSC000240709 [1,1,0,0,0,0|2,0,0]=4 70 B14R1.415 CC(C)C(=O)NC(C)c1ccccc1 CSC000171964 [1,1,0,0,0,0|1,0,1]=4 71 B14R1.415 CC(C)C(=O)N[C@H](C)c1ccccc1 CSC011908464 [1,1,0,0,0,0|1,0,1]=4 72 B14R1.415 CC(NC(=O)N(C)C)c1ccccc1 CSC000240518 [1,1,0,0,0,0|2,0,0]=4 73 B14R1.425 CC(C)C(=O)N(C)Cc1ccccc1 CSC000152890 [1,1,0,0,0,0|1,0,1]=4 74 B14R1.679 CC(C)C(=O)NCc1ccc(cc1)C CSC000154267 [1,1,0,0,0,0|1,0,1]=4 75 B14R1.679 CC(C)C(=O)NCc1ccc(cc1)Cl CSC000152851 [1,1,0,0,0,0|1,0,1]=4 76 B14R1.679 CC(C)C(=O)NCc1ccc(cc1)F CSC000152310 [1,1,0,0,0,0|1,0,1]=4 77 B14R1.679 CN(C)C(=O)CCc1ccc(cc1)Cl CSC032424064 [1,1,0,0,0,0|2,0,0]=4 78 B14R1.679 CN(C)C(=O)NCc1ccc(cc1)Cl CSC000240596 [1,1,0,0,0,0|2,0,0]=4 79 B14R1.679 CN(C)C(=O)NCc1ccc(cc1)F CSC000240613 [1,1,0,0,0,0|2,0,0]=4 80 B14R1.3099 CC(C)(C)C(=O)NCc1ccccc1 CSC000153115 [1,1,0,0,0,0|1,0,1]=4 81 B14R1.3099 CC(C)(O)C(=O)OCc1ccccc1 CSC000058941 [1,1,0,0,0,0|0,0,1]=3 82 B14R1.5956 CC(C)C(=O)NCc1cccc(c1)Br CSC011236837 [1,1,0,0,0,0|1,0,1]=4 83 B16R1.4122 C[C@H](NC(=O)OCc1ccccc1)C(=O)N CSC011418360 [0,1,0,0,0,1|1,0,1]=4 84 B16R2.2884 Cc1nc([nH]c1C)SCc2ccccc2 CSC039387481 [0,0,0,1,0,1|1,1,0]=4 85 B16R2.3322 O=C(OCc1ccccc1)C2CC(=O)C2 CSC010245547 [0,1,0,1,0,0|1,0,1]=4 86 B12R1.32 CCCC(=O)Oc1ccccc1 CSC000001941 [1,0,0,0,1,0|0,0,2]=4 87 B12R1.43 CC(C)C(=O)Nc1ccccc1 CSC000153472 [1,0,0,0,1,0|1,0,1]=4 88 B12R1.43 CC(C)C(=O)Oc1ccccc1 CSC000001937 [1,0,0,0,1,0|0,0,1]=3 89 B16R1.1343 CNC(=O)CNC(=O)OCc1ccccc1 CSC000175805 [0,0,0,0,0,2|2,0,0]=4 90 B16R1.1343 COC(=O)CNC(=O)OCc1ccccc1 CSC000161502 [0,0,0,0,0,2|2,0,0]=4