0 B14R2.3 CCCCN1CCc2c1cccc2 CSC000020999 [1,0,0,0,0,0|2,0,1]=4 1 B14R2.3 CCCCn1cnc2c1cccc2 CSC000185663 [1,0,0,0,0,0|3,0,0]=4 2 B14R2.3 CCCNC1CCc2c1cccc2 CSC000737437 [1,0,0,0,0,0|2,0,1]=4 3 B16R2.33556 COC(=O)CC1NC(=O)c2c1cccc2 CSC010155569 [0,1,0,0,0,0|2,0,1]=4 4 B14R1.38 CCCCCNC(=O)c1ccccc1 CSC000157989 [0,0,1,0,0,0|1,0,0]=2 5 B14R1.38 CCCCCNC(=O)c1cccnc1 CSC000002700 [0,0,1,0,0,0|2,0,0]=3 6 B14R1.38 CCCCCNC(=O)c1cnccn1 CSC030369334 [0,0,1,0,0,0|3,0,0]=4 7 B14R1.38 CCCCCOC(=O)c1ccccc1 CSC000034777 [0,0,1,0,0,0|0,0,0]=1 8 B14R1.38 CCCCSCC(=O)c1ccccc1 CSC011343552 [0,0,1,0,0,0|2,0,0]=3 9 B14R1.38 CCOCCNC(=O)c1ccccc1 CSC011386903 [0,0,1,0,0,0|2,0,0]=3 10 B14R1.38 CCOCCOC(=O)c1ccccc1 CSC000005831 [0,0,1,0,0,0|1,0,0]=2 11 B14R1.38 CNCCCNC(=O)c1ccccn1 CSC011323373 [0,0,1,0,0,0|3,0,0]=4 12 B14R1.38 COCCCNC(=O)c1ccccc1 CSC000159240 [0,0,1,0,0,0|2,0,0]=3 13 B14R1.38 COCCCNC(=O)c1cccnc1 CSC000002900 [0,0,1,0,0,0|3,0,0]=4 14 B14R1.38 COCCCNC(=O)c1ccncc1 CSC043723545 [0,0,1,0,0,0|3,0,0]=4 15 B14R1.903 CCCCNc1ccccc1[N+](=O)[O-] CSC000156414 [0,0,1,0,0,0|2,0,1]=4 16 B14R1.903 CCCCOc1ccccc1C(=O)C CSC011212291 [0,0,1,0,0,0|2,0,0]=3 17 B14R1.903 CCCCOc1ccccc1C(=O)N CSC000019270 [0,0,1,0,0,0|2,0,0]=3 18 B14R1.903 CCCCOc1ccccc1[N+](=O)[O-] CSC000018363 [0,0,1,0,0,0|2,0,1]=4 19 B14R1.903 COCCNc1ncccc1C(=O)O CSC000193153 [0,0,1,0,0,0|3,0,0]=4 20 B13R1.24 CCCCNC(=O)c1cccnc1 CSC000002826 [1,0,1,0,0,0|2,0,0]=4 21 B13R1.24 CCCCNC(=O)c1ccncc1 CSC000002824 [1,0,1,0,0,0|2,0,0]=4 22 B13R1.24 CCCCOC(=O)c1ccccn1 CSC011212253 [1,0,1,0,0,0|1,0,0]=3 23 B13R1.24 COCCNC(=O)c1ccccc1 CSC000157850 [1,0,1,0,0,0|2,0,0]=4 24 B13R1.28 CCCCCCNc1ccccc1 CSC000219565 [1,0,1,0,0,0|2,0,0]=4 25 B13R1.28 CCCCCNCc1ccccc1 CSC000180875 [1,0,1,0,0,0|1,0,1]=4 26 B13R1.572 CCCOc1ccccc1C(=O)C CSC000173325 [1,0,1,0,0,0|2,0,0]=4 27 B13R1.572 CCCOc1ccccc1C(=O)N CSC000006573 [1,0,1,0,0,0|2,0,0]=4 28 B15R1.30 CCCCCNC(=O)c1ccc(cc1)Br CSC000152841 [0,1,1,0,0,0|1,0,0]=3 29 B15R1.30 CCCCCNC(=O)c1ccc(cc1)C CSC000002710 [0,1,1,0,0,0|1,0,0]=3 30 B15R1.30 CCCCCNC(=O)c1ccc(cc1)Cl CSC000002699 [0,1,1,0,0,0|1,0,0]=3 31 B15R1.30 CCCCCNC(=O)c1ccc(cc1)F CSC000157980 [0,1,1,0,0,0|1,0,0]=3 32 B15R1.30 CCCCCNC(=O)c1ccc(cc1)I CSC000152842 [0,1,1,0,0,0|1,0,0]=3 33 B15R1.30 CCCCCNC(=O)c1ccc(cc1)N CSC011208705 [0,1,1,0,0,0|1,0,0]=3 34 B15R1.30 CCCCCOC(=O)c1ccc(cc1)O CSC000032041 [0,1,1,0,0,0|0,0,0]=2 35 B15R1.30 CCNCCNC(=O)c1ccc(cc1)Br CSC011723451 [0,1,1,0,0,0|2,0,0]=4 36 B15R1.30 CCNCCNC(=O)c1ccc(cc1)C CSC011383140 [0,1,1,0,0,0|2,0,0]=4 37 B15R1.30 CCNCCNC(=O)c1ccc(cc1)Cl CSC000226019 [0,1,1,0,0,0|2,0,0]=4 38 B15R1.30 CCNCCNC(=O)c1ccc(cc1)F CSC011723453 [0,1,1,0,0,0|2,0,0]=4 39 B15R1.30 CCNCCNC(=O)c1ccc(cc1)I CSC011723420 [0,1,1,0,0,0|2,0,0]=4 40 B15R1.30 CNCCCNC(=O)c1ccc(cc1)C CSC011323314 [0,1,1,0,0,0|2,0,0]=4 41 B15R1.30 CNCCCNC(=O)c1ccc(cc1)Cl CSC011323378 [0,1,1,0,0,0|2,0,0]=4 42 B15R1.30 CNCCCNC(=O)c1ccc(cc1)F CSC011323377 [0,1,1,0,0,0|2,0,0]=4 43 B15R1.30 CNCCCNC(=O)c1ccc(cc1)I CSC011323388 [0,1,1,0,0,0|2,0,0]=4 44 B15R1.30 COCCCNC(=O)c1ccc(cc1)C CSC044858905 [0,1,1,0,0,0|2,0,0]=4 45 B15R1.30 COCCCNC(=O)c1ccc(cc1)F CSC000159231 [0,1,1,0,0,0|2,0,0]=4 46 B15R1.30 COCCCNC(=O)c1ccc(cc1)I CSC000154957 [0,1,1,0,0,0|2,0,0]=4 47 B15R1.30 COCCCNC(=O)c1ccc(cc1)N CSC011264815 [0,1,1,0,0,0|2,0,0]=4 48 B15R1.30 Cc1ccc(cc1)C(=O)NCCCCN CSC011368415 [0,1,1,0,0,0|2,0,0]=4 49 B15R1.30 NCCCCNC(=O)c1ccc(cc1)Cl CSC011368406 [0,1,1,0,0,0|2,0,0]=4 50 B15R1.30 NCCCCNC(=O)c1ccc(cc1)F CSC011368405 [0,1,1,0,0,0|2,0,0]=4 51 B15R1.30 NCCCCNC(=O)c1ccc(cc1)I CSC011368389 [0,1,1,0,0,0|2,0,0]=4 52 B15R1.30 Nc1ccc(cc1)C(=O)NCCCCO CSC014118363 [0,1,1,0,0,0|2,0,0]=4 53 B15R1.30 OCCCCNC(=O)c1ccc(cc1)Br CSC012339682 [0,1,1,0,0,0|2,0,0]=4 54 B15R1.31 CCCCCNC(=O)c1cccc(c1)C CSC000002712 [0,1,1,0,0,0|1,0,0]=3 55 B15R1.31 CCCCCNC(=O)c1cccc(c1)Cl CSC000002703 [0,1,1,0,0,0|1,0,0]=3 56 B15R1.31 CCCCCNC(=O)c1cccc(c1)F CSC029952411 [0,1,1,0,0,0|1,0,0]=3 57 B15R1.31 CCCCCNC(=O)c1cccc(c1)I CSC000152845 [0,1,1,0,0,0|1,0,0]=3 58 B15R1.31 CCCCCOC(=O)c1cccc(c1)F CSC036596826 [0,1,1,0,0,0|0,0,0]=2 59 B15R1.31 CCNCCNC(=O)c1cccc(c1)Br CSC011723517 [0,1,1,0,0,0|2,0,0]=4 60 B15R1.31 CCNCCNC(=O)c1cccc(c1)C CSC011723470 [0,1,1,0,0,0|2,0,0]=4 61 B15R1.31 CCNCCNC(=O)c1cccc(c1)Cl CSC011723457 [0,1,1,0,0,0|2,0,0]=4 62 B15R1.31 CCNCCNC(=O)c1cccc(c1)F CSC011723467 [0,1,1,0,0,0|2,0,0]=4 63 B15R1.31 CCNCCNC(=O)c1cccc(c1)I CSC011723421 [0,1,1,0,0,0|2,0,0]=4 64 B15R1.31 CCOCCNC(=O)c1cccc(c1)N CSC011320638 [0,1,1,0,0,0|2,0,0]=4 65 B15R1.31 CNCCCNC(=O)c1cccc(c1)Br CSC011323306 [0,1,1,0,0,0|2,0,0]=4 66 B15R1.31 CNCCCNC(=O)c1cccc(c1)C CSC011323323 [0,1,1,0,0,0|2,0,0]=4 67 B15R1.31 CNCCCNC(=O)c1cccc(c1)Cl CSC011323381 [0,1,1,0,0,0|2,0,0]=4 68 B15R1.31 CNCCCNC(=O)c1cccc(c1)F CSC011323320 [0,1,1,0,0,0|2,0,0]=4 69 B15R1.31 CNCCCNC(=O)c1cccc(c1)I CSC011323389 [0,1,1,0,0,0|2,0,0]=4 70 B15R1.31 COCCCNC(=O)c1cccc(c1)F CSC046241056 [0,1,1,0,0,0|2,0,0]=4 71 B15R1.31 COCCCNC(=O)c1cccc(c1)I CSC000154960 [0,1,1,0,0,0|2,0,0]=4 72 B15R1.31 COCCCNC(=O)c1cccc(c1)N CSC011264817 [0,1,1,0,0,0|2,0,0]=4 73 B15R1.31 COCCCNC(=O)c1cccc(c1)N CSC011264817 [0,1,1,0,0,0|2,0,0]=4 74 B15R1.31 CSCCCNC(=O)c1cccc(c1)N CSC011956887 [0,1,1,0,0,0|2,0,0]=4 75 B15R1.31 Cc1cccc(c1)C(=O)NCCCCN CSC011368426 [0,1,1,0,0,0|2,0,0]=4 76 B15R1.31 NCCCCNC(=O)c1cccc(c1)Br CSC011368379 [0,1,1,0,0,0|2,0,0]=4 77 B15R1.31 NCCCCNC(=O)c1cccc(c1)Cl CSC011368410 [0,1,1,0,0,0|2,0,0]=4 78 B15R1.31 NCCCCNC(=O)c1cccc(c1)F CSC011368421 [0,1,1,0,0,0|2,0,0]=4 79 B15R1.31 NCCCCNC(=O)c1cccc(c1)I CSC011368390 [0,1,1,0,0,0|2,0,0]=4 80 B15R1.89 CCN[C@H](C)CNC(=O)c1ccccc1 CSC019232863 [0,1,1,0,0,0|2,0,0]=4 81 B15R1.138 CCCCCCOC(=O)c1ccccc1 CSC000034563 [0,1,1,0,0,0|0,0,0]=2 82 B15R1.138 CCCCCCOC(=O)c1ccccn1 CSC000047475 [0,1,1,0,0,0|1,0,0]=3 83 B15R1.138 CCCCCCOC(=O)c1ccncc1 CSC000047477 [0,1,1,0,0,0|1,0,0]=3 84 B15R1.138 CCCNCCNC(=O)c1ccccc1 CSC011723548 [0,1,1,0,0,0|1,0,0]=3 85 B15R1.138 CCCNCCNC(=O)c1ccccn1 CSC011723561 [0,1,1,0,0,0|2,0,0]=4 86 B15R1.138 CCCNCCNC(=O)c1cccnc1 CSC011723563 [0,1,1,0,0,0|2,0,0]=4 87 B15R1.138 CCCNCCNC(=O)c1ccncc1 CSC011723562 [0,1,1,0,0,0|2,0,0]=4 88 B15R1.138 CCOCCCNC(=O)c1ccccc1 CSC000161229 [0,1,1,0,0,0|1,0,0]=3 89 B15R1.138 CCOCCCNC(=O)c1cccnc1 CSC036015106 [0,1,1,0,0,0|2,0,0]=4 90 B15R1.138 OCCOCCNC(=O)c1ccccc1 CSC000192855 [0,1,1,0,0,0|2,0,0]=4 91 B15R1.497 CN(C)CCCNC(=O)c1ccccc1 CSC000159974 [0,1,1,0,0,0|2,0,0]=4 92 B15R1.497 CN(C)CCCOC(=O)c1ccccc1 CSC038636491 [0,1,1,0,0,0|1,0,0]=3 93 B15R1.536 CCCCCNS(=O)(=O)c1ccccc1 CSC000164746 [0,1,1,0,0,0|2,0,0]=4 94 B15R1.3965 CCCCCNC(=O)c1ccccc1Br CSC000152840 [0,1,1,0,0,0|1,0,0]=3 95 B15R1.3965 CCCCCNC(=O)c1ccccc1C CSC000002711 [0,1,1,0,0,0|1,0,0]=3 96 B15R1.3965 CCCCCNC(=O)c1ccccc1Cl CSC000002696 [0,1,1,0,0,0|1,0,0]=3 97 B15R1.3965 CCCCCNC(=O)c1ccccc1F CSC000157987 [0,1,1,0,0,0|1,0,0]=3 98 B15R1.3965 CCCCCNC(=O)c1ccccc1I CSC000152844 [0,1,1,0,0,0|1,0,0]=3 99 B15R1.3965 CCNCCNC(=O)c1ccccc1Br CSC011723449 [0,1,1,0,0,0|2,0,0]=4 100 B15R1.3965 CCNCCNC(=O)c1ccccc1C CSC011723465 [0,1,1,0,0,0|2,0,0]=4 101 B15R1.3965 CCNCCNC(=O)c1ccccc1Cl CSC011723424 [0,1,1,0,0,0|2,0,0]=4 102 B15R1.3965 CCNCCNC(=O)c1ccccc1F CSC011723458 [0,1,1,0,0,0|2,0,0]=4 103 B15R1.3965 CCNCCNC(=O)c1ccccc1I CSC011723461 [0,1,1,0,0,0|2,0,0]=4 104 B15R1.3965 CCNCCNC(=O)c1ccccc1N CSC057344664 [0,1,1,0,0,0|2,0,0]=4 105 B15R1.3965 CCOCCNC(=O)c1ccccc1N CSC011320639 [0,1,1,0,0,0|2,0,0]=4 106 B15R1.3965 CNCCCNC(=O)c1ccccc1Br CSC011323371 [0,1,1,0,0,0|2,0,0]=4 107 B15R1.3965 CNCCCNC(=O)c1ccccc1C CSC011323318 [0,1,1,0,0,0|2,0,0]=4 108 B15R1.3965 CNCCCNC(=O)c1ccccc1Cl CSC011323372 [0,1,1,0,0,0|2,0,0]=4 109 B15R1.3965 CNCCCNC(=O)c1ccccc1F CSC011323310 [0,1,1,0,0,0|2,0,0]=4 110 B15R1.3965 CNCCCNC(=O)c1ccccc1I CSC011323315 [0,1,1,0,0,0|2,0,0]=4 111 B15R1.3965 CNCCCNC(=O)c1ccccc1N CSC056998357 [0,1,1,0,0,0|2,0,0]=4 112 B15R1.3965 COCCCNC(=O)c1ccccc1Br CSC000154955 [0,1,1,0,0,0|2,0,0]=4 113 B15R1.3965 COCCCNC(=O)c1ccccc1C CSC029832853 [0,1,1,0,0,0|2,0,0]=4 114 B15R1.3965 COCCCNC(=O)c1ccccc1F CSC000159238 [0,1,1,0,0,0|2,0,0]=4 115 B15R1.3965 COCCCNC(=O)c1ccccc1I CSC000154959 [0,1,1,0,0,0|2,0,0]=4 116 B15R1.3965 COCCCNC(=O)c1ccccc1N CSC000243865 [0,1,1,0,0,0|2,0,0]=4 117 B15R1.3965 CSCCCNC(=O)c1ccccc1N CSC011956881 [0,1,1,0,0,0|2,0,0]=4 118 B15R1.3965 Cc1ccccc1C(=O)NCCCCN CSC011368419 [0,1,1,0,0,0|2,0,0]=4 119 B15R1.3965 NCCCCNC(=O)c1ccccc1Br CSC011368403 [0,1,1,0,0,0|2,0,0]=4 120 B15R1.3965 NCCCCNC(=O)c1ccccc1Cl CSC011368398 [0,1,1,0,0,0|2,0,0]=4 121 B15R1.3965 NCCCCNC(=O)c1ccccc1F CSC011368412 [0,1,1,0,0,0|2,0,0]=4 122 B15R1.3965 NCCCCNC(=O)c1ccccc1I CSC011368416 [0,1,1,0,0,0|2,0,0]=4 123 B15R1.241 CCCCCOc1ccccc1C(=O)C CSC011214342 [0,1,1,0,0,0|1,0,0]=3 124 B15R1.559 CCCCOc1ccc(cc1C(=O)C)Cl CSC011205711 [0,1,1,0,0,0|2,0,0]=4 125 B15R1.559 CCCCOc1ccc(cc1C(=O)C)F CSC011212089 [0,1,1,0,0,0|2,0,0]=4 126 B15R1.559 CCCCOc1ccc(cc1C(=O)N)Cl CSC000019272 [0,1,1,0,0,0|2,0,0]=4 127 B15R1.1159 CCCCOc1cc(ccc1C(=O)C)F CSC011802341 [0,1,1,0,0,0|2,0,0]=4 128 B15R1.1274 CCCC(=O)Nc1ccccc1C(=O)O CSC011208156 [0,1,1,0,0,0|1,0,1]=4 129 B15R1.8882 CC(C)CCOc1ccccc1C(=O)C CSC011214338 [0,1,1,0,0,0|2,0,0]=4 130 B15R1.8882 CC(C)CCOc1ccccc1C(=O)N CSC000027239 [0,1,1,0,0,0|2,0,0]=4 131 B17R2.12072 CCCOCc1nc2ccccc2c(=O)[nH]1 CSC027171569 [0,1,0,0,0,1|1,0,1]=4 132 B17R2.12118 COCCCn1ccc(=O)c2c1cccc2 CSC027556541 [0,1,0,0,0,1|2,0,0]=4 133 B17R2.49523 CCOC(=O)CC1NC(=O)c2c1cccc2 CSC009996174 [0,2,0,0,0,0|1,0,1]=4 134 B15R2.1259 O=C(NC1CCCC1)c2ccccc2 CSC000160931 [0,0,1,1,0,0|1,0,0]=3 135 B15R2.1259 O=C(NC1CCCC1)c2cccnc2 CSC000160918 [0,0,1,1,0,0|2,0,0]=4 136 B15R2.1259 O=C(NC1CCCC1)c2ccncc2 CSC000160913 [0,0,1,1,0,0|2,0,0]=4 137 B15R2.1259 O=C(OC1CCCC1)c2ccccc2 CSC000026356 [0,0,1,1,0,0|0,0,0]=2 138 B15R2.2226 O=C(N1CCCCC1)c2ccccc2 CSC000157702 [0,0,1,1,0,0|1,0,0]=3 139 B15R2.2226 O=C(N1CCCCC1)c2cccnc2 CSC000157689 [0,0,1,1,0,0|2,0,0]=4 140 B15R2.2226 O=C(N1CCCCC1)c2ccncc2 CSC000157684 [0,0,1,1,0,0|2,0,0]=4 141 B15R2.2226 O=C(N1CCOCC1)c2ccccc2 CSC000158659 [0,0,1,1,0,0|2,0,0]=4 142 B15R2.2226 O=C(N1CCSCC1)c2ccccc2 CSC011323042 [0,0,1,1,0,0|2,0,0]=4 143 B15R2.16319 NC(=O)c1ccccc1OCC2CC2 CSC000058751 [0,0,1,1,0,0|2,0,0]=4 144 B15R2.16320 NC(=O)c1ccccc1OC2CCC2 CSC009829774 [0,0,1,1,0,0|2,0,0]=4 145 B17R3.1156952 O=C1NC2(CCCC2)Nc3c1cccc3 CSC000005664 [0,0,0,1,0,1|1,0,0]=3 146 B13R1.48 CCCCCNC(=O)c1ccco1 CSC000157983 [0,0,1,0,1,0|2,0,0]=4 147 B13R1.48 CCCCCNC(=O)c1cccs1 CSC000157995 [0,0,1,0,1,0|2,0,0]=4 148 B15R1.83 CCCCCCC(=O)Nc1ccncc1 CSC046148295 [0,0,1,0,0,1|2,0,0]=4 149 B15R1.83 CCCCCNC(=O)Nc1ccccc1 CSC000003711 [0,0,1,0,0,1|1,0,0]=3 150 B15R1.83 COCCCNC(=O)Nc1ccccc1 CSC000003772 [0,0,1,0,0,1|2,0,0]=4