0 B14R1.744 CCC(=O)c1ccccc1NC(=O)C CSC009861000 [0,0,0,0,0,0|1,0,0]=1 1 B14R1.744 CNC(=O)c1ccccc1SC(C)C CSC000002306 [0,0,0,0,0,0|3,0,1]=4 2 B14R1.744 COC(=O)c1ccccc1OC(=O)C CSC000001831 [0,0,0,0,0,0|1,0,0]=1 3 B14R1.744 COC(=O)c1ccccc1OC(F)F CSC000151594 [0,0,0,0,0,0|3,0,1]=4 4 B14R1.744 COC(=O)c1cccnc1NC(C)C CSC011203143 [0,0,0,0,0,0|2,0,1]=3 5 B13R1.380 CCCc1ccccc1NC(=O)C CSC011253081 [1,0,0,0,0,0|1,0,1]=3 6 B13R1.380 CCOc1ccccc1NC(=O)C CSC000152242 [1,0,0,0,0,0|2,0,0]=3 7 B13R1.380 CCOc1ccccc1NC(=O)N CSC000238960 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.382 CCOc1ccccc1C(=O)OC CSC000148976 [1,0,0,0,0,0|1,0,1]=3 9 B13R1.382 CCSc1ccccc1C(=O)NC CSC000019822 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.382 COC(=O)c1ccccc1CC#N CSC000151593 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.589 CC(=O)Nc1ccccc1C(=O)N CSC000187177 [1,0,0,0,0,0|1,0,0]=2 12 B13R1.589 CC(=O)Oc1ccccc1C(=O)N CSC000019317 [1,0,0,0,0,0|2,0,0]=3 13 B13R1.589 CC(C)c1ccccc1NC(=O)C CSC000155373 [1,0,0,0,0,0|1,0,1]=3 14 B13R1.589 CN(C)c1ccccc1NC(=O)C CSC011242852 [1,0,0,0,0,0|2,0,0]=3 15 B15R1.810 CCNC(=O)c1ccccc1NC(=O)C CSC000019863 [0,1,0,0,0,0|1,0,0]=2 16 B15R1.925 COC(=O)c1cc(ccc1NC(=O)C)Br CSC009811626 [0,1,0,0,0,0|0,0,0]=1 17 B15R1.925 COC(=O)c1cc(ccc1NC(=O)C)Cl CSC000216480 [0,1,0,0,0,0|0,0,0]=1 18 B15R1.1086 CN(C)C(=O)c1ccccc1OC(=O)C CSC047757808 [0,1,0,0,0,0|2,0,0]=3 19 B15R1.3847 CCC(=O)Nc1ccccc1C(=O)NC CSC000205919 [0,1,0,0,0,0|1,0,0]=2 20 B15R1.3847 CCC(=O)Nc1ccccc1C(=O)OC CSC000152667 [0,1,0,0,0,0|0,0,0]=1 21 B15R1.3847 CCC(=O)Oc1ccccc1C(=O)OC CSC034343655 [0,1,0,0,0,0|1,0,0]=2 22 B15R1.3847 COC(=O)Cc1ccccc1C(=O)OC CSC000070244 [0,1,0,0,0,0|1,0,0]=2 23 B15R1.11372 CNC(=O)c1ccccc1NS(=O)(=O)C CSC000159756 [0,1,0,0,0,0|2,0,0]=3 24 B15R1.11372 COC(=O)c1ccccc1CS(=O)(=O)C CSC013138136 [0,1,0,0,0,0|2,0,0]=3 25 B15R1.11372 COC(=O)c1ccccc1CS(=O)(=O)N CSC011606465 [0,1,0,0,0,0|3,0,0]=4 26 B15R1.11372 COC(=O)c1ccccc1NS(=O)(=O)C CSC000165574 [0,1,0,0,0,0|1,0,0]=2 27 B15R1.11677 COC(=O)c1ccc(cc1NC(=O)C)Cl CSC000154637 [0,1,0,0,0,0|0,0,0]=1 28 B15R1.38499 COC(=O)c1cccc(c1NC(=O)C)C CSC000030605 [0,1,0,0,0,0|0,0,0]=1 29 B15R2.14628 CC1CCN(c2c1cccc2)C(=O)C CSC011273297 [0,0,0,1,0,0|2,0,1]=4 30 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] CSC000192140 [0,0,0,0,1,0|3,0,0]=4 31 B13R1.547 COC(=O)c1ccccc1C(=O)C CSC010269922 [0,0,0,0,1,0|0,0,0]=1 32 B13R1.547 COC(=O)c1ccccc1[N+](=O)[O-] CSC000149990 [0,0,0,0,1,0|2,0,0]=3 33 B13R1.551 COC(=O)c1ccsc1NC(=O)C CSC000048906 [0,0,0,0,1,0|1,0,0]=2 34 B13R1.551 COC(=O)c1sccc1NC(=O)C CSC000215530 [0,0,0,0,1,0|1,0,0]=2 35 B15R1.985 CNC(=O)c1ccccc1NCC(C)C CSC016625986 [0,0,0,0,0,1|2,0,1]=4 36 B15R1.3845 CCC(=O)Nc1ccccc1CC(=O)O CSC011696022 [0,0,0,0,0,1|3,0,0]=4 37 B15R1.3845 CCC(=O)Nc1ccccc1NC(=O)C CSC033697927 [0,0,0,0,0,1|1,0,0]=2 38 B15R1.3845 COC(=O)Cc1ccccc1NC(=O)C CSC010160855 [0,0,0,0,0,1|0,0,0]=1 39 B12R1.75 CC(=O)Nc1ccccc1C#N CSC000151996 [2,0,0,0,0,0|1,0,1]=4 40 B12R1.75 CCc1ccccc1NC(=O)C CSC000154698 [2,0,0,0,0,0|0,0,1]=3 41 B12R1.75 CCc1ccccc1NC(=O)N CSC011196910 [2,0,0,0,0,0|1,0,1]=4 42 B12R1.75 COc1ccccc1CC(=O)N CSC000162009 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.75 COc1ccccc1OC(=O)C CSC000002000 [2,0,0,0,0,0|1,0,0]=3 44 B12R1.77 CNC(=O)c1ccccc1OC CSC000159813 [2,0,0,0,0,0|2,0,0]=4 45 B12R1.77 CNC(=O)c1ccccc1SC CSC000159722 [2,0,0,0,0,0|2,0,0]=4 46 B12R1.77 CNc1ccccc1C(=O)NN CSC000019922 [2,0,0,0,0,0|2,0,0]=4 47 B12R1.77 COC(=O)c1ccccc1OC CSC000150339 [2,0,0,0,0,0|1,0,0]=3 48 B12R1.77 COC(=O)c1ccccc1SC CSC000151494 [2,0,0,0,0,0|1,0,0]=3 49 B12R1.77 COC(=O)c1cccnc1OC CSC011203184 [2,0,0,0,0,0|2,0,0]=4 50 B12R1.77 COC(=O)c1cccnc1SC CSC000149765 [2,0,0,0,0,0|2,0,0]=4 51 B12R1.77 COC(=O)c1ncccc1OC CSC011997691 [2,0,0,0,0,0|2,0,0]=4 52 B14R1.483 CCOc1ccccc1NC(=O)CC CSC000152245 [1,1,0,0,0,0|2,0,0]=4 53 B14R1.483 CCOc1ccccc1NC(=O)CN CSC000168411 [1,1,0,0,0,0|2,0,0]=4 54 B14R1.786 CCCOc1ccccc1NC(=O)C CSC000152533 [1,1,0,0,0,0|1,0,1]=4 55 B14R1.814 CC(=O)Nc1ccccc1OC(=O)C CSC000030220 [1,1,0,0,0,0|2,0,0]=4 56 B14R1.814 CC(C)Sc1ccccc1NC(=O)C CSC010141668 [1,1,0,0,0,0|2,0,0]=4 57 B14R1.263 CCOC(=O)c1ccccc1OCC CSC000170318 [1,1,0,0,0,0|1,0,1]=4 58 B14R1.5238 CCOc1ccc(cc1C(=O)OC)Br CSC011840379 [1,1,0,0,0,0|1,0,1]=4 59 B14R1.815 CC(=O)Nc1ccccc1C(C)(C)C CSC000151894 [1,1,0,0,0,0|1,0,1]=4 60 B14R1.815 CC(=O)Nc1ccccc1S(=O)(=O)C CSC000243491 [1,1,0,0,0,0|1,0,0]=3 61 B14R1.3302 CC(C)c1ccccc1NC(=O)CN CSC000168432 [1,1,0,0,0,0|1,0,1]=4 62 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)N CSC000189134 [1,1,0,0,0,0|1,0,0]=3 63 B14R1.3302 CCC(=O)Nc1ccccc1C(C)C CSC000155376 [1,1,0,0,0,0|1,0,1]=4 64 B14R1.3302 COC(=O)Nc1ccccc1C(=O)N CSC000216172 [1,1,0,0,0,0|1,0,0]=3 65 B14R1.4894 CC(C)c1cccc(c1NC(=O)C)C CSC000151886 [1,1,0,0,0,0|1,0,1]=4 66 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)C)Br CSC009813165 [1,1,0,0,0,0|0,0,0]=2 67 B14R1.623 CCOC(=O)c1ccccc1C(=O)C CSC000042901 [0,1,0,0,1,0|0,0,0]=2 68 B14R1.623 CCOC(=O)c1ccccc1[N+](=O)[O-] CSC000169800 [0,1,0,0,1,0|2,0,0]=4 69 B14R1.707 COC(=O)c1cc(ccc1[N+](=O)[O-])C CSC011996004 [0,1,0,0,1,0|2,0,0]=4 70 B14R1.1126 COC(=O)c1ccc(cc1[N+](=O)[O-])Br CSC012359390 [0,1,0,0,1,0|2,0,0]=4 71 B14R1.1126 COC(=O)c1ccc(cc1[N+](=O)[O-])Cl CSC000150773 [0,1,0,0,1,0|2,0,0]=4 72 B14R1.1126 COC(=O)c1ccc(cc1[N+](=O)[O-])F CSC000731495 [0,1,0,0,1,0|2,0,0]=4 73 B14R1.1153 COC(=O)c1cccc(c1[N+](=O)[O-])C CSC000148193 [0,1,0,0,1,0|2,0,0]=4 74 B14R1.1153 COC(=O)c1cccc(c1[N+](=O)[O-])Cl CSC000698587 [0,1,0,0,1,0|2,0,0]=4 75 B14R1.1164 COC(=O)c1c(cccc1[N+](=O)[O-])C CSC000240953 [0,1,0,0,1,0|2,0,0]=4 76 B14R1.1164 COC(=O)c1c(cccc1[N+](=O)[O-])N CSC000078545 [0,1,0,0,1,0|2,0,0]=4 77 B14R1.724 COC(=O)c1cc(sc1NC(=O)C)C CSC000028388 [0,1,0,0,1,0|1,0,0]=3 78 B14R1.724 COC(=O)c1sc(cc1NC(=O)C)C CSC009892858 [0,1,0,0,1,0|1,0,0]=3 79 B14R1.3308 CCC(=O)Nc1ccsc1C(=O)OC CSC000215534 [0,1,0,0,1,0|1,0,0]=3 80 B14R1.3308 CCC(=O)Nc1sccc1C(=O)OC CSC032302959 [0,1,0,0,1,0|1,0,0]=3 81 B14R1.7637 COC(=O)c1ccsc1NS(=O)(=O)C CSC009999678 [0,1,0,0,1,0|2,0,0]=4 82 B14R1.7637 COC(=O)c1sccc1NS(=O)(=O)C CSC000216779 [0,1,0,0,1,0|2,0,0]=4 83 B16R1.959 CCOC(=O)c1cccnc1NCC(=O)O CSC011222778 [0,1,0,0,0,1|2,0,0]=4 84 B16R1.959 CCOC(=O)c1cnccc1NCC(=O)O CSC056893953 [0,1,0,0,0,1|2,0,0]=4 85 B16R1.1332 COC(=O)CNc1ccccc1C(=O)OC CSC000020559 [0,1,0,0,0,1|0,0,0]=2 86 B16R1.1332 COC(=O)CSc1ncccc1C(=O)OC CSC028436944 [0,1,0,0,0,1|2,0,0]=4 87 B16R1.16698 COC(=O)c1ccccc1NC(=O)C(=O)N CSC045717156 [0,1,0,0,0,1|1,0,0]=3 88 B16R1.16698 COC(=O)c1ccccc1NC(=O)C(C)C CSC000152665 [0,1,0,0,0,1|1,0,1]=4 89 B16R1.1554 CCCC(=O)Nc1ccccc1NC(=O)C CSC043935553 [0,1,0,0,0,1|1,0,0]=3 90 B16R1.1554 COCC(=O)Nc1ccccc1CC(=O)O CSC011696024 [0,1,0,0,0,1|2,0,0]=4 91 B16R1.1554 COCC(=O)Nc1ccccc1NC(=O)C CSC037454802 [0,1,0,0,0,1|0,0,0]=2 92 B16R1.4377 CC(=O)Nc1ccc(cc1NC(=O)CN)C CSC010248987 [0,1,0,0,0,1|2,0,0]=4 93 B16R1.12518 CC(C)C(=O)Nc1ccccc1NC(=O)C CSC046392793 [0,1,0,0,0,1|1,0,0]=3 94 B16R1.960 CCNC(=O)c1ccccc1NC(=O)CC CSC048889814 [0,2,0,0,0,0|1,0,0]=3 95 B16R1.960 CCNC(=O)c1ccccc1NC(=O)OC CSC047166723 [0,2,0,0,0,0|1,0,0]=3 96 B16R1.960 CCOC(=O)c1ccccc1NC(=O)CC CSC000250703 [0,2,0,0,0,0|0,0,0]=2 97 B16R1.960 CCOC(=O)c1ccccc1NC(=O)OC CSC037575958 [0,2,0,0,0,0|0,0,0]=2 98 B16R1.1498 CC(=O)Nc1ccccc1C(=O)NCC=C CSC037668776 [0,2,0,0,0,0|1,0,0]=3 99 B16R1.1498 CCCNC(=O)c1ccccc1NC(=O)C CSC000249814 [0,2,0,0,0,0|1,0,0]=3 100 B16R1.14963 CCNC(=O)c1ccccc1NS(=O)(=O)C CSC042513447 [0,2,0,0,0,0|2,0,0]=4 101 B16R1.14963 CCOC(=O)c1ccccc1NS(=O)(=O)C CSC000255144 [0,2,0,0,0,0|1,0,0]=3 102 B16R1.17237 COC(=O)c1ccccc1N(C)S(=O)(=O)C CSC000187922 [0,2,0,0,0,0|1,0,0]=3 103 B16R1.24477 CN(C)C(=O)c1ccccc1NS(=O)(=O)C CSC000252570 [0,2,0,0,0,0|2,0,0]=4 104 B16R1.1556 CCCC(=O)Nc1ccccc1C(=O)NC CSC000271080 [0,2,0,0,0,0|1,0,0]=3 105 B16R1.1556 CCCC(=O)Nc1ccccc1C(=O)OC CSC000152666 [0,2,0,0,0,0|0,0,0]=2 106 B16R1.1556 COCC(=O)Nc1ccccc1C(=O)OC CSC000186598 [0,2,0,0,0,0|0,0,0]=2 107 B14R2.642 CC1Cc2ccccc2N1C(=O)C CSC000152737 [1,0,0,1,0,0|1,0,1]=4 108 B14R2.9440 CC(=O)Nc1cccc2c1cc[nH]2 CSC000058549 [1,0,0,1,0,0|2,0,0]=4 109 B14R2.9440 CC(=O)Nc1cccc2c1non2 CSC010273276 [1,0,0,1,0,0|2,0,0]=4 110 B14R2.31359 CC(=O)N1CCCc2c1cccc2 CSC000152744 [1,0,0,1,0,0|1,0,1]=4 111 B14R2.31359 CC(=O)N1CCOc2c1cccc2 CSC011242855 [1,0,0,1,0,0|2,0,0]=4 112 B14R2.10782 COC(=O)c1cccc2c1NCC2 CSC000097324 [1,0,0,1,0,0|0,0,1]=3 113 B14R2.10782 COC(=O)c1cccc2c1[nH]nc2 CSC000062810 [1,0,0,1,0,0|1,0,1]=4 114 B14R2.10782 COC(=O)c1cccc2c1cc[nH]2 CSC011218648 [1,0,0,1,0,0|2,0,0]=4 115 B16R2.33951 C=CC(=O)N1CC(=O)Nc2c1cccc2 CSC011325413 [0,0,0,1,0,1|1,0,1]=4 116 B16R2.33951 CCC(=O)N1CC(=O)Nc2c1cccc2 CSC000161835 [0,0,0,1,0,1|1,0,0]=3 117 B16R2.33951 COC(=O)c1cc(nc2c1cccc2)C CSC000148245 [0,0,0,1,0,1|1,0,1]=4 118 B16R2.33942 COC(=O)C1CCC(=O)c2c1cccc2 CSC010234073 [0,1,0,1,0,0|2,0,0]=4 119 B14R1.482 CCOc1ccccc1CNC(=O)C CSC000054356 [1,0,0,0,0,1|2,0,0]=4 120 B14R1.4522 CC(=O)NNc1ccccc1[N+](=O)[O-] CSC000003002 [1,0,0,0,0,1|1,0,1]=4 121 B14R1.4522 CC(=O)c1ccccc1OCC(=O)N CSC000150746 [1,0,0,0,0,1|2,0,0]=4 122 B14R1.733 CCC(=O)c1cccc(c1)NC(=O)C CSC009862755 [0,0,0,0,1,1|1,0,0]=3 123 B14R1.733 CNC(=O)c1cccc(c1)NC(=O)C CSC000154571 [0,0,0,0,1,1|1,0,0]=3 124 B14R1.733 COC(=O)c1cccc(c1)NC(=O)C CSC000149867 [0,0,0,0,1,1|0,0,0]=2 125 B14R1.733 COC(=O)c1ccnc(c1)NC(=O)C CSC000137391 [0,0,0,0,1,1|1,0,0]=3 126 B16R1.1330 COC(=O)COc1ccccc1NC(=O)C CSC000170994 [0,0,0,0,0,2|0,0,0]=2