0 B12R1.8 c1ccc(cc1)CCCCCN AB07613 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.8 c1ccc(cc1)COCCCN AB30616 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.28 CNCCCc1ccccc1 AB10671 [1,0,0,0,0,0|1,0,0]=2 3 B11R1.28 CNCCOc1ccccn1 AB60653 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.28 c1ccc(cc1)CCCCN AB00942 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.28 c1ccc(cc1)CCCCN AB13248 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.28 c1ccc(cc1)COCCN AB05315 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.28 c1ccc(cc1)NCCCN MB00433 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.28 c1ccnc(c1)OCCCN AB60652 [1,0,0,0,0,0|3,0,0]=4 9 B13R1.9 c1cc(ccc1CNCCCBr)Cl AB65678 [0,1,0,0,0,0|2,0,0]=3 10 B13R1.337 c1ccc(cc1)NCCCC(=O)O AB55233 [0,1,0,0,0,0|1,0,1]=3 11 B13R1.555 c1ccc(c(c1)CNCCCBr)Cl AB65682 [0,1,0,0,0,0|2,0,0]=3 12 B13R2.1 c1ccc2c(c1)CCC2CC#N AB60218 [0,0,0,1,0,0|1,0,1]=3 13 B13R2.1 c1ccc2c(c1)c(no2)CCO AB44138 [0,0,0,1,0,0|2,0,1]=4 14 B13R2.3 B1(OCCCO1)c2ccccc2 AB02862 [0,0,0,1,0,0|2,0,0]=3 15 B13R2.3 B1(OCCCO1)c2cccnc2 AB08194 [0,0,0,1,0,0|3,0,0]=4 16 B13R2.3 B1(OCCCO1)c2ccncc2 AB30040 [0,0,0,1,0,0|3,0,0]=4 17 B13R2.3 c1cc(cnc1)C2CCCCN2 AB00736 [0,0,0,1,0,0|2,0,0]=3 18 B13R2.3 c1cc(cnc1)C2CNCCN2 AB36504 [0,0,0,1,0,0|3,0,0]=4 19 B13R2.3 c1cc(cnc1)[C@@H]2CCCCN2 AB07621 [0,0,0,1,0,0|2,0,0]=3 20 B13R2.3 c1cc(cnc1)[C@@H]2CNCCN2 AB36510 [0,0,0,1,0,0|3,0,0]=4 21 B13R2.3 c1cc(cnc1)[C@H]2CCCCN2 AB49757 [0,0,0,1,0,0|2,0,0]=3 22 B13R2.3 c1cc(cnc1)[C@H]2CNCCN2 AB36507 [0,0,0,1,0,0|3,0,0]=4 23 B13R2.3 c1ccc(cc1)C2=CCOCC2 PB15368 [0,0,0,1,0,0|2,0,1]=4 24 B13R2.3 c1ccc(cc1)C2CCCNC2 AB07314 [0,0,0,1,0,0|2,0,0]=3 25 B13R2.3 c1ccc(cc1)C2CCNCC2 AB00564 [0,0,0,1,0,0|2,0,0]=3 26 B13R2.3 c1ccc(cc1)C2CNCCN2 AB10478 [0,0,0,1,0,0|2,0,0]=3 27 B13R2.3 c1ccc(cc1)C2CNCCO2 AB09828 [0,0,0,1,0,0|1,0,0]=2 28 B13R2.3 c1ccc(cc1)C2COCCN2 AB50984 [0,0,0,1,0,0|2,0,0]=3 29 B13R2.3 c1ccc(cc1)N2CCNCC2 AB00546 [0,0,0,1,0,0|3,0,0]=4 30 B13R2.3 c1ccc(cc1)[C@@H]2CCCNC2 AB16327 [0,0,0,1,0,0|2,0,0]=3 31 B13R2.3 c1ccc(cc1)[C@@H]2CNCCN2 AB31252 [0,0,0,1,0,0|2,0,0]=3 32 B13R2.3 c1ccc(cc1)[C@H]2CCCNC2 AB16326 [0,0,0,1,0,0|2,0,0]=3 33 B13R2.3 c1ccc(cc1)[C@H]2CNCCN2 AB31256 [0,0,0,1,0,0|2,0,0]=3 34 B13R2.3 c1ccc(cc1)[C@H]2COCCN2 AB62678 [0,0,0,1,0,0|2,0,0]=3 35 B13R2.3 c1ccnc(c1)C2CCNCC2 AB21583 [0,0,0,1,0,0|3,0,0]=4 36 B13R2.3 c1ccnc(c1)C2CNCCN2 AB36501 [0,0,0,1,0,0|3,0,0]=4 37 B13R2.3 c1ccnc(c1)C2COCCN2 AB72727 [0,0,0,1,0,0|3,0,0]=4 38 B13R2.3 c1ccnc(c1)[C@@H]2CNCCN2 AB36503 [0,0,0,1,0,0|3,0,0]=4 39 B13R2.3 c1ccnc(c1)[C@H]2CNCCN2 AB36502 [0,0,0,1,0,0|3,0,0]=4 40 B13R2.3 c1cnccc1C2CCNCC2 AB22669 [0,0,0,1,0,0|3,0,0]=4 41 B13R2.3 c1cnccc1C2CNCCN2 AB36513 [0,0,0,1,0,0|3,0,0]=4 42 B13R2.3 c1cnccc1[C@@H]2CNCCN2 AB36521 [0,0,0,1,0,0|3,0,0]=4 43 B13R2.3 c1cnccc1[C@H]2CNCCN2 AB36517 [0,0,0,1,0,0|3,0,0]=4 44 B13R2.15 CN1CCC[C@@H]1c2cccnc2 AB05474 [0,0,0,1,0,0|3,0,0]=4 45 B13R2.15 c1ccc(cc1)[C@@H]2CNC[C@H]2N AB60630 [0,0,0,1,0,0|2,0,0]=3 46 B13R2.15 c1ccc(cc1)[C@@H]2CNC[C@H]2O PB20756 [0,0,0,1,0,0|1,0,0]=2 47 B13R2.64 c1cc(cnc1)CC2CCNC2 AB20722 [0,0,0,1,0,0|3,0,0]=4 48 B13R2.64 c1ccc(cc1)CC2CCCN2 AB09388 [0,0,0,1,0,0|1,0,0]=2 49 B13R2.67 c1ccc2c(c1)CCCCCN2 AB65827 [0,0,0,1,0,0|1,0,0]=2 50 B13R2.1613 CCC1CNCc2c1cccc2 MB06169 [0,0,0,1,0,0|2,0,0]=3 51 B13R2.1613 CNC1CCCc2c1cccc2 MB03780 [0,0,0,1,0,0|2,0,0]=3 52 B13R2.1613 c1ccc2c(c1)CCCC2CN AB11056 [0,0,0,1,0,0|1,0,0]=2 53 B13R2.5252 c1ccc2c(c1)C(=O)CCCN2 AB14874 [0,0,0,1,0,0|1,0,2]=4 54 B13R2.5252 c1ccc2c(c1)C(CCCN2)N AB27677 [0,0,0,1,0,0|2,0,0]=3 55 B13R2.5252 c1ccc2c(c1)CCCNC2=O AB19134 [0,0,0,1,0,0|1,0,2]=4 56 B13R2.5252 c1ccc2c(c1)CCCOC2=O AB65833 [0,0,0,1,0,0|1,0,2]=4 57 B13R2.5252 c1ccc2c(c1)[C@@H](CCCN2)N AB29365 [0,0,0,1,0,0|2,0,0]=3 58 B13R2.5252 c1ccc2c(c1)[C@H](CCCN2)N AB27678 [0,0,0,1,0,0|2,0,0]=3 59 B10R1.17 CNCCc1cccnc1 AB10676 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.17 CNCCc1ccncc1 AB02055 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.17 c1cc(cnc1)CCCN AB54556 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.17 c1ccc(cc1)CCC=O AB00823 [2,0,0,0,0,0|0,0,2]=4 63 B10R1.17 c1ccc(cc1)CCCN AB00940 [2,0,0,0,0,0|1,0,0]=3 64 B10R1.17 c1ccnc(c1)CCCN AB30458 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.17 c1ccnc(c1)CCCO PB12987 [2,0,0,0,0,0|1,0,0]=3 66 B10R1.17 c1cnccc1CCCN AB43583 [2,0,0,0,0,0|2,0,0]=4 67 B12R1.1 CNCCCc1ccc(cc1)Br AB38786 [1,1,0,0,0,0|1,0,0]=3 68 B12R1.1 CNCCCc1ccc(cc1)Cl AB38779 [1,1,0,0,0,0|1,0,0]=3 69 B12R1.1 CNCCCc1ccc(cc1)F AB38773 [1,1,0,0,0,0|1,0,0]=3 70 B12R1.1 COCCOc1ccc(cc1)O AB19320 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.1 Cc1ccc(cc1)CCCNC AB38761 [1,1,0,0,0,0|1,0,0]=3 72 B12R1.1 c1cc(ccc1CCCCN)Cl AB54564 [1,1,0,0,0,0|1,0,0]=3 73 B12R1.1 c1cc(ccc1CCCCN)F AB54561 [1,1,0,0,0,0|1,0,0]=3 74 B12R1.1 c1cc(ccc1CCCCN)O AB07609 [1,1,0,0,0,0|1,0,0]=3 75 B12R1.27 C[C@H](CN)NCc1ccccc1 AB72049 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.28 CNCCCc1cccc(c1)Br AB38785 [1,1,0,0,0,0|1,0,0]=3 77 B12R1.28 CNCCCc1cccc(c1)Cl AB38778 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.28 CNCCCc1cccc(c1)F AB38769 [1,1,0,0,0,0|1,0,0]=3 79 B12R1.28 Cc1cccc(c1)CCCNC AB38759 [1,1,0,0,0,0|1,0,0]=3 80 B12R1.30 CN(CCCN)c1ccccc1 AB04605 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.30 CNCCC(c1ccccc1)O AB06932 [1,1,0,0,0,0|1,0,0]=3 82 B12R1.32 CN(CCN)Cc1ccccc1 MB02567 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.252 c1ccc(cc1)CNCC(=O)O AB04524 [1,1,0,0,0,0|1,0,1]=4 84 B12R1.252 c1ccc(cc1)COCC(=O)O CB10355 [1,1,0,0,0,0|1,0,1]=4 85 B12R1.252 c1ccc(cc1)NCCC(=O)O MB00619 [1,1,0,0,0,0|1,0,1]=4 86 B12R1.252 c1ccc(cc1)OCCC(=O)O AB00261 [1,1,0,0,0,0|1,0,1]=4 87 B12R1.267 CNCCCc1ccccc1Br AB38782 [1,1,0,0,0,0|1,0,0]=3 88 B12R1.267 CNCCCc1ccccc1Cl AB38777 [1,1,0,0,0,0|1,0,0]=3 89 B12R1.267 CNCCCc1ccccc1F AB38765 [1,1,0,0,0,0|1,0,0]=3 90 B12R1.267 Cc1ccccc1CCCNC AB38758 [1,1,0,0,0,0|1,0,0]=3 91 B14R1.148 c1cc(cc(c1)Cl)OCCCC(=O)O AB18091 [0,2,0,0,0,0|1,0,1]=4 92 B14R1.818 c1ccc(cc1)CCC(CC(=O)O)N AB08760 [0,2,0,0,0,0|0,0,1]=3 93 B14R1.6449 c1ccc(cc1)CCC[C@H](C(=O)O)N AB16792 [0,2,0,0,0,0|0,0,1]=3 94 B12R2.1 CNC1CCc2c1cccc2 AB49601 [1,0,0,1,0,0|1,0,0]=3 95 B12R2.1 CNC1CCc2c1cccn2 AB70125 [1,0,0,1,0,0|2,0,0]=4 96 B12R2.1 c1ccc2c(c1)C(CO2)CN AB56739 [1,0,0,1,0,0|2,0,0]=4 97 B12R2.1 c1ccc2c(c1)CCC2C#N AB53724 [1,0,0,1,0,0|1,0,1]=4 98 B12R2.1 c1ccc2c(c1)CCC2CN AB28113 [1,0,0,1,0,0|1,0,0]=3 99 B12R2.2 c1cc(cnc1)C2CCCN2 AB01223 [1,0,0,1,0,0|2,0,0]=4 100 B12R2.2 c1ccc(cc1)C2CCCN2 AB09387 [1,0,0,1,0,0|1,0,0]=3 101 B12R2.2 c1ccc(cc1)C2CCCO2 PB14199 [1,0,0,1,0,0|0,0,0]=2 102 B12R2.2 c1ccc(cc1)C2CCNC2 AB09982 [1,0,0,1,0,0|1,0,0]=3 103 B12R2.2 c1ccc(cc1)[C@@H]2CCNC2 AB29529 [1,0,0,1,0,0|1,0,0]=3 104 B12R2.2 c1ccc(cc1)[C@H]2CCCN2 AB29151 [1,0,0,1,0,0|1,0,0]=3 105 B12R2.2 c1ccc(cc1)[C@H]2CCNC2 AB29532 [1,0,0,1,0,0|1,0,0]=3 106 B12R2.2 c1ccnc(c1)C2CCCN2 PB23261 [1,0,0,1,0,0|2,0,0]=4 107 B12R2.2 c1ccnc(c1)C2CCNC2 AB10236 [1,0,0,1,0,0|2,0,0]=4 108 B12R2.2 c1ccnc(c1)[C@@H]2CCCN2 AB39377 [1,0,0,1,0,0|2,0,0]=4 109 B12R2.2 c1cnccc1C2CCCN2 AB10234 [1,0,0,1,0,0|2,0,0]=4 110 B12R2.2 c1cnccc1C2CCNC2 AB10240 [1,0,0,1,0,0|2,0,0]=4 111 B12R2.2 c1cnccc1[C@@H]2CCCN2 AB49753 [1,0,0,1,0,0|2,0,0]=4 112 B12R2.2 c1cnccc1[C@H]2CCCN2 AB49756 [1,0,0,1,0,0|2,0,0]=4 113 B12R2.41 c1ccc2c(c1)CCCCN2 AB05634 [1,0,0,1,0,0|1,0,0]=3 114 B12R2.41 c1ccc2c(c1)CCCNC2 AB49623 [1,0,0,1,0,0|1,0,0]=3 115 B12R2.41 c1ccc2c(c1)CCNCC2 AB16913 [1,0,0,1,0,0|1,0,0]=3 116 B12R2.41 c1ccc2c(c1)CCNCC2 PB31022 [1,0,0,1,0,0|1,0,0]=3 117 B12R2.41 c1ccc2c(c1)CNCCN2 AB30307 [1,0,0,1,0,0|2,0,0]=4 118 B12R2.41 c1ccc2c(c1)COCCN2 AB62713 [1,0,0,1,0,0|2,0,0]=4 119 B12R2.41 c1cncc2c1CCCNC2 AB76151 [1,0,0,1,0,0|2,0,0]=4 120 B12R2.41 c1cncc2c1CNCCC2 AB77487 [1,0,0,1,0,0|2,0,0]=4 121 B12R2.1081 CC1c2ccccc2CCN1 AB07224 [1,0,0,1,0,0|1,0,0]=3 122 B12R2.1081 c1cc2c(nc1)C(CCC2)N MB05927 [1,0,0,1,0,0|2,0,0]=4 123 B12R2.1081 c1cc2c(nc1)CCCC2N PB24835 [1,0,0,1,0,0|2,0,0]=4 124 B12R2.1081 c1ccc2c(c1)C(CCN2)N AB39305 [1,0,0,1,0,0|2,0,0]=4 125 B12R2.1081 c1ccc2c(c1)C(CCO2)N AB06995 [1,0,0,1,0,0|2,0,0]=4 126 B12R2.1081 c1ccc2c(c1)CCCC2N AB00150 [1,0,0,1,0,0|1,0,0]=3 127 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N AB06758 [1,0,0,1,0,0|1,0,0]=3 128 B12R2.1081 c1ccc2c(c1)COCC2N PB29671 [1,0,0,1,0,0|2,0,0]=4 129 B12R2.1081 c1ccc2c(c1)COCC2O AB70306 [1,0,0,1,0,0|1,0,0]=3 130 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N AB45531 [1,0,0,1,0,0|2,0,0]=4 131 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N AB29090 [1,0,0,1,0,0|2,0,0]=4 132 B12R2.1081 c1cncc2c1C(CCC2)N MB05957 [1,0,0,1,0,0|2,0,0]=4 133 B12R2.1081 c1cncc2c1CCCC2N MB05952 [1,0,0,1,0,0|2,0,0]=4 134 B12R2.2057 c1cc(cnc1)OCC2CC2 MB19960 [1,0,0,1,0,0|2,0,0]=4 135 B12R2.2058 c1ccc(cc1)OC2CNC2 PB16142 [1,0,0,1,0,0|2,0,0]=4 136 B12R2.315 c1cc2n(c1)CCC[C@H]2CN MB14803 [0,0,0,1,1,0|2,0,0]=4 137 B14R2.21 CN1CCNC(C1)c2ccccc2 AB14171 [0,1,0,1,0,0|2,0,0]=4 138 B14R2.21 Cc1cccc(c1)C2CCNCC2 AB16322 [0,1,0,1,0,0|2,0,0]=4 139 B14R2.21 Cc1cccc(c1)C2CNCCN2 AB25182 [0,1,0,1,0,0|2,0,0]=4 140 B14R2.21 Cc1cccc(c1)C2CNCCO2 AB54603 [0,1,0,1,0,0|1,0,0]=3 141 B14R2.21 Cc1cccc(c1)[C@@H]2CNCCN2 AB36195 [0,1,0,1,0,0|2,0,0]=4 142 B14R2.21 Cc1cccc(c1)[C@H]2CNCCN2 AB36191 [0,1,0,1,0,0|2,0,0]=4 143 B14R2.21 c1c(cncc1Br)C2CCCCC2 MB13758 [0,1,0,1,0,0|2,0,0]=4 144 B14R2.21 c1cc(cc(c1)Br)C2CCNCC2 AB16292 [0,1,0,1,0,0|2,0,0]=4 145 B14R2.21 c1cc(cc(c1)Br)C2CCNCC2 AB53985 [0,1,0,1,0,0|2,0,0]=4 146 B14R2.21 c1cc(cc(c1)Br)C2CNCCN2 AB25137 [0,1,0,1,0,0|2,0,0]=4 147 B14R2.21 c1cc(cc(c1)Br)C2CNCCO2 AB56124 [0,1,0,1,0,0|1,0,0]=3 148 B14R2.21 c1cc(cc(c1)Br)C2COCCN2 AB72729 [0,1,0,1,0,0|2,0,0]=4 149 B14R2.21 c1cc(cc(c1)Br)[C@@H]2CNCCN2 AB36262 [0,1,0,1,0,0|2,0,0]=4 150 B14R2.21 c1cc(cc(c1)Br)[C@H]2CNCCN2 AB36261 [0,1,0,1,0,0|2,0,0]=4 151 B14R2.21 c1cc(cc(c1)Cl)C2CCNCC2 AB10966 [0,1,0,1,0,0|2,0,0]=4 152 B14R2.21 c1cc(cc(c1)Cl)C2CNCCN2 AB07231 [0,1,0,1,0,0|2,0,0]=4 153 B14R2.21 c1cc(cc(c1)Cl)C2CNCCO2 AB54615 [0,1,0,1,0,0|1,0,0]=3 154 B14R2.21 c1cc(cc(c1)Cl)C2COCCN2 AB54630 [0,1,0,1,0,0|2,0,0]=4 155 B14R2.21 c1cc(cc(c1)Cl)[C@@H]2CNCCN2 AB36244 [0,1,0,1,0,0|2,0,0]=4 156 B14R2.21 c1cc(cc(c1)Cl)[C@H]2CNCCN2 AB36241 [0,1,0,1,0,0|2,0,0]=4 157 B14R2.21 c1cc(cc(c1)F)C2CCNCC2 AB10960 [0,1,0,1,0,0|2,0,0]=4 158 B14R2.21 c1cc(cc(c1)F)C2CCNCC2 AB21594 [0,1,0,1,0,0|2,0,0]=4 159 B14R2.21 c1cc(cc(c1)F)C2CNCCN2 AB25167 [0,1,0,1,0,0|2,0,0]=4 160 B14R2.21 c1cc(cc(c1)F)C2CNCCO2 AB64479 [0,1,0,1,0,0|1,0,0]=3 161 B14R2.21 c1cc(cc(c1)F)C2COCCN2 AB72728 [0,1,0,1,0,0|2,0,0]=4 162 B14R2.21 c1cc(cc(c1)F)[C@@H]2CNCCN2 AB36232 [0,1,0,1,0,0|2,0,0]=4 163 B14R2.21 c1cc(cc(c1)F)[C@H]2CNCCN2 AB36230 [0,1,0,1,0,0|2,0,0]=4 164 B14R2.21 c1cc(cc(c1)N)C2CCNCC2 AB15692 [0,1,0,1,0,0|2,0,0]=4 165 B14R2.21 c1cc(nc(c1)Br)C2CCCCC2 AB50795 [0,1,0,1,0,0|2,0,0]=4 166 B14R2.21 c1ccc(cc1)C2CCCC(=O)C2 AB04809 [0,1,0,1,0,0|0,0,2]=4 167 B14R2.21 c1ccc(cc1)C2CNCC(=O)O2 AB72680 [0,1,0,1,0,0|1,0,1]=4 168 B14R2.21 c1cnc(cc1Cl)C2CCCCC2 MB13756 [0,1,0,1,0,0|2,0,0]=4 169 B14R2.716 c1cc(cc(c1)N)CN2CCCC2 AB18465 [0,1,0,1,0,0|2,0,0]=4 170 B14R2.11635 c1cc2c(c(c1)N)C(CCC2)C#N MB13715 [0,1,0,1,0,0|1,0,1]=4 171 B14R2.68 Cc1ccc(cc1)C2CCNCC2 AB16318 [0,1,0,1,0,0|2,0,0]=4 172 B14R2.68 Cc1ccc(cc1)C2CNCCN2 AB22878 [0,1,0,1,0,0|2,0,0]=4 173 B14R2.68 Cc1ccc(cc1)C2COCCN2 AB54619 [0,1,0,1,0,0|2,0,0]=4 174 B14R2.68 Cc1ccc(cc1)[C@@H]2CNCCN2 AB36199 [0,1,0,1,0,0|2,0,0]=4 175 B14R2.68 Cc1ccc(cc1)[C@H]2CNCCN2 AB36198 [0,1,0,1,0,0|2,0,0]=4 176 B14R2.68 c1cc(ccc1C2CCCCN2)Br AB12068 [0,1,0,1,0,0|1,0,0]=3 177 B14R2.68 c1cc(ccc1C2CCCNC2)Br AB64015 [0,1,0,1,0,0|2,0,0]=4 178 B14R2.68 c1cc(ccc1C2CCCNC2)F AB48192 [0,1,0,1,0,0|2,0,0]=4 179 B14R2.68 c1cc(ccc1C2CCNCC2)Br AB14852 [0,1,0,1,0,0|2,0,0]=4 180 B14R2.68 c1cc(ccc1C2CCNCC2)Cl AB10963 [0,1,0,1,0,0|2,0,0]=4 181 B14R2.68 c1cc(ccc1C2CCNCC2)F AB14868 [0,1,0,1,0,0|2,0,0]=4 182 B14R2.68 c1cc(ccc1C2CCNCC2)N AB15691 [0,1,0,1,0,0|2,0,0]=4 183 B14R2.68 c1cc(ccc1C2CCNCC2)N AB44507 [0,1,0,1,0,0|2,0,0]=4 184 B14R2.68 c1cc(ccc1C2CNCCN2)Br AB22874 [0,1,0,1,0,0|2,0,0]=4 185 B14R2.68 c1cc(ccc1C2CNCCN2)Cl AB17124 [0,1,0,1,0,0|2,0,0]=4 186 B14R2.68 c1cc(ccc1C2CNCCN2)F AB22877 [0,1,0,1,0,0|2,0,0]=4 187 B14R2.68 c1cc(ccc1C2CNCCO2)Br AB56125 [0,1,0,1,0,0|1,0,0]=3 188 B14R2.68 c1cc(ccc1C2CNCCO2)Cl AB17695 [0,1,0,1,0,0|1,0,0]=3 189 B14R2.68 c1cc(ccc1C2CNCCO2)F AB53785 [0,1,0,1,0,0|1,0,0]=3 190 B14R2.68 c1cc(ccc1C2COCCN2)Br AB70834 [0,1,0,1,0,0|2,0,0]=4 191 B14R2.68 c1cc(ccc1C2COCCN2)Cl AB54633 [0,1,0,1,0,0|2,0,0]=4 192 B14R2.68 c1cc(ccc1C2COCCN2)F AB54622 [0,1,0,1,0,0|2,0,0]=4 193 B14R2.68 c1cc(ccc1[C@@H]2CNCCN2)Br AB36270 [0,1,0,1,0,0|2,0,0]=4 194 B14R2.68 c1cc(ccc1[C@@H]2CNCCN2)Cl PB18797 [0,1,0,1,0,0|2,0,0]=4 195 B14R2.68 c1cc(ccc1[C@@H]2CNCCN2)F AB36236 [0,1,0,1,0,0|2,0,0]=4 196 B14R2.68 c1cc(ccc1[C@H]2CNCCN2)Br AB36266 [0,1,0,1,0,0|2,0,0]=4 197 B14R2.68 c1cc(ccc1[C@H]2CNCCN2)Cl AB36248 [0,1,0,1,0,0|2,0,0]=4 198 B14R2.68 c1cc(ccc1[C@H]2CNCCN2)F AB36235 [0,1,0,1,0,0|2,0,0]=4 199 B14R2.68 c1cc(ncc1C2CCCCC2)Br MB10305 [0,1,0,1,0,0|2,0,0]=4 200 B14R2.68 c1ccc(cc1)C2CCC(CC2)N AB03671 [0,1,0,1,0,0|1,0,0]=3 201 B14R2.68 c1ccc(cc1)C2CNC(=O)CO2 AB42561 [0,1,0,1,0,0|1,0,1]=4 202 B14R2.68 c1ccc(cc1)N2CCC(CC2)N AB01971 [0,1,0,1,0,0|2,0,0]=4 203 B14R2.72 c1cc(ccc1CC2CCCN2)Br AB12057 [0,1,0,1,0,0|1,0,0]=3 204 B14R2.72 c1cc(ccc1CC2CCCN2)F AB12055 [0,1,0,1,0,0|1,0,0]=3 205 B14R2.72 c1cc(ccc1CC2CCNC2)F AB27846 [0,1,0,1,0,0|2,0,0]=4 206 B14R2.72 c1cc(ccc1CN2CCCC2)N AB15828 [0,1,0,1,0,0|2,0,0]=4 207 B14R2.91 c1cc(ccc1N)N2CCC2CO MB11416 [0,1,0,1,0,0|1,0,0]=3 208 B14R2.926 c1cc(ccc1[C@@H]2CNC[C@H]2N)F AB60631 [0,1,0,1,0,0|2,0,0]=4 209 B14R2.5637 CC1CNCCc2c1cc(cc2)Cl AB52743 [0,1,0,1,0,0|2,0,0]=4 210 B14R2.5637 C[C@H]1CNCCc2c1cc(cc2)Cl AB52744 [0,1,0,1,0,0|2,0,0]=4 211 B14R2.5637 Cc1ccc2c(c1)C(CCCN2)N AB39686 [0,1,0,1,0,0|2,0,0]=4 212 B14R2.5637 c1cc2c(cc1Br)C(CCCN2)N AB39682 [0,1,0,1,0,0|2,0,0]=4 213 B14R2.5637 c1cc2c(cc1Cl)C(CCCN2)N AB39681 [0,1,0,1,0,0|2,0,0]=4 214 B14R2.5637 c1cc2c(cc1F)C(CCCN2)N AB39685 [0,1,0,1,0,0|2,0,0]=4 215 B14R2.11684 CCC1CNCc2c1cc(cc2)Br MB14452 [0,1,0,1,0,0|2,0,0]=4 216 B14R2.11684 CCC1CNCc2c1cc(cc2)Cl MB14455 [0,1,0,1,0,0|2,0,0]=4 217 B14R2.11684 CCC1CNCc2c1cc(cc2)F MB14457 [0,1,0,1,0,0|2,0,0]=4 218 B14R2.8 c1ccc(cc1)C2CC(CN2)CO AB72120 [0,1,0,1,0,0|1,0,0]=3 219 B14R2.5540 c1ccc(cc1)C2(CCOCC2)N PB31433 [0,1,0,1,0,0|2,0,0]=4 220 B14R2.3 c1ccc2c(c1)cnn2CCCO MB14937 [0,1,0,1,0,0|1,0,1]=4 221 B14R2.6 c1cc(cnc1)CC2CNCCN2 AB36908 [0,1,0,1,0,0|2,0,0]=4 222 B14R2.6 c1cc(cnc1)C[C@@H]2CNCCN2 AB36916 [0,1,0,1,0,0|2,0,0]=4 223 B14R2.6 c1cc(cnc1)C[C@H]2CNCCN2 AB36912 [0,1,0,1,0,0|2,0,0]=4 224 B14R2.6 c1ccc(cc1)CC2CCCCN2 AB09793 [0,1,0,1,0,0|1,0,0]=3 225 B14R2.6 c1ccc(cc1)CC2CCCNC2 AB14787 [0,1,0,1,0,0|1,0,0]=3 226 B14R2.6 c1ccc(cc1)CC2CCNCC2 AB00568 [0,1,0,1,0,0|1,0,0]=3 227 B14R2.6 c1ccc(cc1)CC2CNCCN2 AB31245 [0,1,0,1,0,0|1,0,0]=3 228 B14R2.6 c1ccc(cc1)C[C@@H]2CNCCN2 AB36531 [0,1,0,1,0,0|1,0,0]=3 229 B14R2.6 c1ccc(cc1)C[C@@H]2COCCN2 AB64212 [0,1,0,1,0,0|1,0,0]=3 230 B14R2.6 c1ccc(cc1)C[C@H]2CNCCN2 AB36528 [0,1,0,1,0,0|1,0,0]=3 231 B14R2.6 c1ccc(cc1)C[C@H]2COCCN2 AB64214 [0,1,0,1,0,0|1,0,0]=3 232 B14R2.6 c1ccc(cc1)OC2CCCCO2 AB02374 [0,1,0,1,0,0|0,0,0]=2 233 B14R2.6 c1ccc(cc1)OC2CCNCC2 AB12549 [0,1,0,1,0,0|2,0,0]=4 234 B14R2.6 c1ccc(cc1)SC2CCNCC2 AB19364 [0,1,0,1,0,0|2,0,0]=4 235 B14R2.6 c1ccnc(c1)CC2CNCCN2 AB36901 [0,1,0,1,0,0|2,0,0]=4 236 B14R2.6 c1ccnc(c1)C[C@@H]2CNCCN2 AB36905 [0,1,0,1,0,0|2,0,0]=4 237 B14R2.6 c1ccnc(c1)C[C@H]2CNCCN2 AB36903 [0,1,0,1,0,0|2,0,0]=4 238 B14R2.6 c1cnccc1CC2CNCCN2 AB36917 [0,1,0,1,0,0|2,0,0]=4 239 B14R2.6 c1cnccc1C[C@@H]2CNCCN2 AB36925 [0,1,0,1,0,0|2,0,0]=4 240 B14R2.6 c1cnccc1C[C@H]2CNCCN2 AB36921 [0,1,0,1,0,0|2,0,0]=4 241 B14R2.24 CC1C(OCCN1)c2ccccc2 AB07481 [0,1,0,1,0,0|1,0,0]=3 242 B14R2.24 CN1CCCCC1c2cccnc2 AB09139 [0,1,0,1,0,0|2,0,0]=4 243 B14R2.24 CN1CCCC[C@@H]1c2cccnc2 AB72261 [0,1,0,1,0,0|2,0,0]=4 244 B14R2.24 CN1CCCC[C@H]1c2cccnc2 AB07625 [0,1,0,1,0,0|2,0,0]=4 245 B14R2.24 CN1CCNCC1c2ccccc2 AB28402 [0,1,0,1,0,0|2,0,0]=4 246 B14R2.24 Cc1ccccc1C2CNCCN2 AB36186 [0,1,0,1,0,0|2,0,0]=4 247 B14R2.24 Cc1ccccc1[C@@H]2CNCCN2 AB36188 [0,1,0,1,0,0|2,0,0]=4 248 B14R2.24 Cc1ccccc1[C@H]2CNCCN2 AB36187 [0,1,0,1,0,0|2,0,0]=4 249 B14R2.24 c1ccc(c(c1)C2CNCCN2)Br AB36253 [0,1,0,1,0,0|2,0,0]=4 250 B14R2.24 c1ccc(c(c1)C2CNCCN2)Cl AB07228 [0,1,0,1,0,0|2,0,0]=4 251 B14R2.24 c1ccc(c(c1)C2CNCCN2)F AB36220 [0,1,0,1,0,0|2,0,0]=4 252 B14R2.24 c1ccc(c(c1)C2CNCCO2)Cl AB54611 [0,1,0,1,0,0|1,0,0]=3 253 B14R2.24 c1ccc(c(c1)C2CNCCO2)F AB54606 [0,1,0,1,0,0|1,0,0]=3 254 B14R2.24 c1ccc(c(c1)[C@@H]2CNCCN2)Br AB36260 [0,1,0,1,0,0|2,0,0]=4 255 B14R2.24 c1ccc(c(c1)[C@@H]2CNCCN2)Cl AB36240 [0,1,0,1,0,0|2,0,0]=4 256 B14R2.24 c1ccc(c(c1)[C@@H]2CNCCN2)F AB36227 [0,1,0,1,0,0|2,0,0]=4 257 B14R2.24 c1ccc(c(c1)[C@H]2CNCCN2)Br AB36257 [0,1,0,1,0,0|2,0,0]=4 258 B14R2.24 c1ccc(c(c1)[C@H]2CNCCN2)Cl AB36238 [0,1,0,1,0,0|2,0,0]=4 259 B14R2.24 c1ccc(c(c1)[C@H]2CNCCN2)F AB36224 [0,1,0,1,0,0|2,0,0]=4 260 B14R2.24 c1ccc(cc1)C2C(=O)NCCO2 AB72690 [0,1,0,1,0,0|1,0,1]=4 261 B14R2.30 c1ccc(cc1)CN2CCCC2=O AB00299 [0,1,0,1,0,0|0,0,2]=4 262 B14R2.101 c1ccc(cc1)CO[C@@H]2CCNC2 AB50096 [0,1,0,1,0,0|2,0,0]=4 263 B14R2.101 c1ccc(cc1)CO[C@H]2CCNC2 AB42869 [0,1,0,1,0,0|2,0,0]=4 264 B14R2.2014 COC1=NCCCc2c1cccc2 AB53001 [0,1,0,1,0,0|1,0,1]=4 265 B14R2.7150 c1ccc2c(c1)CCCN2CCN AB28315 [0,1,0,1,0,0|1,0,0]=3 266 B14R2.7150 c1ccc2c(c1)CCNC2CC#N AB07898 [0,1,0,1,0,0|1,0,1]=4 267 B14R2.7150 c1ccc2c(c1)CCNC2CC#N AB09172 [0,1,0,1,0,0|1,0,1]=4 268 B14R2.112 c1ccc2c(c1)OCC(O2)CCN AB09664 [0,1,0,1,0,0|2,0,0]=4 269 B14R2.436 c1ccc(cc1)COC2CC(C2)O PB36158 [0,1,0,1,0,0|1,0,0]=3 270 B14R2.436 c1ccc(cc1)CO[C@H]2C[C@@H](C2)N PB13706 [0,1,0,1,0,0|2,0,0]=4 271 B14R2.436 c1ccc(cc1)CO[C@H]2C[C@H](C2)N PB15245 [0,1,0,1,0,0|2,0,0]=4 272 B14R2.19 c1ccc(cc1)CN2CCC(C2)Br MB09781 [0,1,0,1,0,0|2,0,0]=4 273 B14R2.19 c1ccc(cc1)CN2CCC(C2)O AB01084 [0,1,0,1,0,0|1,0,0]=3 274 B14R2.19 c1ccc(cc1)CN2CC[C@@H](C2)N AB03132 [0,1,0,1,0,0|2,0,0]=4 275 B14R2.19 c1ccc(cc1)CN2CC[C@@H](C2)O AB02885 [0,1,0,1,0,0|1,0,0]=3 276 B14R2.19 c1ccc(cc1)CN2CC[C@H](C2)N AB03115 [0,1,0,1,0,0|2,0,0]=4 277 B14R2.19 c1ccc(cc1)CN2CC[C@H](C2)O AB02881 [0,1,0,1,0,0|1,0,0]=3 278 B14R2.391 c1ccc2c(c1)CCCCC(=O)N2 AB01426 [0,1,0,1,0,0|0,0,2]=4 279 B14R2.31359 c1ccc2c(c1)CCCC2C(=O)O AB11024 [0,1,0,1,0,0|0,0,1]=3 280 B14R2.31359 c1ccc2c(c1)CCCC2C(=S)N AB11061 [0,1,0,1,0,0|0,1,1]=4 281 B14R2.31359 c1ccc2c(c1)CCNC2C(=O)O AB08729 [0,1,0,1,0,0|1,0,1]=4 282 B14R2.31359 c1ccc2c(c1)CCN[C@@H]2C(=O)O AB14831 [0,1,0,1,0,0|1,0,1]=4 283 B14R2.31359 c1ccc2c(c1)CCN[C@H]2C(=O)O AB14827 [0,1,0,1,0,0|1,0,1]=4 284 B14R2.50 c1ccc(c(c1)CN2CCCC2)N AB09193 [0,1,0,1,0,0|2,0,0]=4 285 B14R2.685 Cc1cccc2c1NCCCC2N AB39674 [0,1,0,1,0,0|2,0,0]=4 286 B14R2.685 c1cc2c(c(c1)Br)NCCCC2N AB39660 [0,1,0,1,0,0|2,0,0]=4 287 B14R2.685 c1cc2c(c(c1)Cl)NCCCC2N AB39658 [0,1,0,1,0,0|2,0,0]=4 288 B14R2.685 c1cc2c(c(c1)F)NCCCC2N AB39664 [0,1,0,1,0,0|2,0,0]=4 289 B14R2.3459 c1ccc2c(c1)CCCC2(CN)O AB11059 [0,1,0,1,0,0|1,0,0]=3 290 B14R2.3459 c1ccc2c(c1)CCCC2(CN)O AB31029 [0,1,0,1,0,0|1,0,0]=3 291 B14R3.3058 c1ccc2c(c1)CCNC23CC3 AB69668 [0,0,0,2,0,0|2,0,0]=4