0 B14R2.4640 CC1(c2ccc(cc2CCN1)Br)C AB77379 [0,0,0,0,0,0|2,0,0]=2 1 B14R2.4640 CC1(c2ccc(cc2CCN1)F)C AB77382 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.3122 CC1(CCNc2c1cccc2)C MB10115 [1,0,0,0,0,0|1,0,0]=2 3 B13R2.3122 CC1(CNCc2c1cccc2)C MB05480 [1,0,0,0,0,0|1,0,0]=2 4 B13R2.3122 CC1(c2ccccc2CCN1)C AB62583 [1,0,0,0,0,0|1,0,0]=2 5 B13R2.3122 c1ccc2c(c1)CNCC2(F)F AB10198 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.5179 Cc1cc2c(nc1)C(=O)CCC2 AB68943 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.5179 Cc1ccc2c(c1)CCCC2=O MB00436 [1,0,0,0,0,0|1,0,1]=3 8 B13R2.5179 Cc1ccc2c(c1)NCCC2=O AB60321 [1,0,0,0,0,0|2,0,1]=4 9 B13R2.5179 Cc1ccc2c(c1)OCCC2=O MB00918 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.5179 Cc1ccc2c(c1)OCCC2N MB07208 [1,0,0,0,0,0|2,0,0]=3 11 B13R2.5179 Cc1ccc2c(n1)CCCC2=O AB68917 [1,0,0,0,0,0|2,0,1]=4 12 B13R2.5179 c1cc2c(cc1Br)CCCC2=O AB18188 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.5179 c1cc2c(cc1Br)OCCC2N MB08219 [1,0,0,0,0,0|3,0,0]=4 14 B13R2.5179 c1cc2c(cc1Cl)CCCC2=O AB18184 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.5179 c1cc2c(cc1Cl)OCCC2N MB69092 [1,0,0,0,0,0|3,0,0]=4 16 B13R2.5179 c1cc2c(cc1F)CCCC2=O AB49348 [1,0,0,0,0,0|2,0,1]=4 17 B13R2.5179 c1cc2c(cc1F)OCCC2N MB15053 [1,0,0,0,0,0|3,0,0]=4 18 B13R2.5179 c1cc2c(cc1N)CCCC2=O MB00658 [1,0,0,0,0,0|2,0,1]=4 19 B13R2.5179 c1cc2c(cc1O)CCCC2=O MB00784 [1,0,0,0,0,0|2,0,1]=4 20 B13R2.5179 c1cc2c(cc1O)CCCC2N AB43911 [1,0,0,0,0,0|2,0,0]=3 21 B15R2.4970 CC1(c2ccc(cc2CCN1)OC)C AB76535 [0,1,0,0,0,0|1,0,0]=2 22 B13R1.53 CC(C)(C)c1ccc(cc1C#N)O MB36543 [0,0,1,0,0,0|2,0,1]=4 23 B13R1.53 CC(C)(C)c1ccc(cc1C=O)O MB33127 [0,0,1,0,0,0|2,0,1]=4 24 B13R1.53 CC(C)(C)c1ccc(cc1CN)O MB36980 [0,0,1,0,0,0|2,0,0]=3 25 B13R1.53 CC(C)(C)c1ccc(cc1NC)O MB38571 [0,0,1,0,0,0|2,0,0]=3 26 B13R1.53 CC(C)(C)c1ccc(cc1OC)O MB00271 [0,0,1,0,0,0|2,0,0]=3 27 B13R1.53 CC(C)(C)c1ccc(cc1SC)O MB33520 [0,0,1,0,0,0|2,0,0]=3 28 B13R1.53 CCc1cc(ccc1C(C)(C)C)O MB23735 [0,0,1,0,0,0|1,0,0]=2 29 B15R3.6672 c1cc2c(cc1Br)CCNC23CC3 AB77390 [0,0,0,1,0,0|2,0,0]=3 30 B13R2.3108 CC1(COc2c1ccc(c2)Br)C AB77123 [0,0,0,0,1,0|2,0,0]=3 31 B12R1.57 CC(C)c1ccc(cc1CN)O MB38827 [1,0,1,0,0,0|2,0,0]=4 32 B12R1.57 CC(C)c1ccc(cc1NC)O MB35650 [1,0,1,0,0,0|2,0,0]=4 33 B12R1.57 CC(C)c1ccc(cc1OC)O MB33914 [1,0,1,0,0,0|2,0,0]=4 34 B12R1.57 CC(C)c1ccc(cc1SC)O MB30926 [1,0,1,0,0,0|2,0,0]=4 35 B12R1.57 CCc1cc(ccc1C(C)C)O MB23739 [1,0,1,0,0,0|1,0,0]=3 36 B12R1.57 CCc1cc(ccc1N(C)C)O MB23760 [1,0,1,0,0,0|2,0,0]=4 37 B12R1.76 CC(C)(c1ccccc1OC)N AB54647 [1,0,1,0,0,0|2,0,0]=4 38 B12R1.126 CC(C)(C)c1ccc(cc1Br)O MB21813 [1,0,1,0,0,0|2,0,0]=4 39 B12R1.126 CC(C)(C)c1ccc(cc1Cl)O MB21815 [1,0,1,0,0,0|2,0,0]=4 40 B12R1.126 CC(C)(C)c1ccc(cc1F)O MB21800 [1,0,1,0,0,0|2,0,0]=4 41 B12R1.126 CC(C)(C)c1ccc(cc1I)O MB21801 [1,0,1,0,0,0|2,0,0]=4 42 B12R1.126 CC(C)(C)c1ccc(cc1N)O MB21802 [1,0,1,0,0,0|2,0,0]=4 43 B12R1.126 CC(C)(C)c1ccc(cc1O)Br MB09250 [1,0,1,0,0,0|2,0,0]=4 44 B12R1.126 CC(C)(C)c1ccc(cc1O)Cl MB21821 [1,0,1,0,0,0|2,0,0]=4 45 B12R1.126 CC(C)(C)c1ccc(cc1O)F MB21768 [1,0,1,0,0,0|2,0,0]=4 46 B12R1.126 CC(C)(C)c1ccc(cc1O)I MB21772 [1,0,1,0,0,0|2,0,0]=4 47 B12R1.126 CC(C)(C)c1ccc(cc1O)N MB21780 [1,0,1,0,0,0|2,0,0]=4 48 B12R1.126 Cc1cc(ccc1C(C)(C)C)O MB23393 [1,0,1,0,0,0|1,0,0]=3 49 B12R1.28 CNCCCc1cccc(c1)Br AB38785 [1,0,1,0,0,0|2,0,0]=4 50 B12R1.28 CNCCCc1cccc(c1)Cl AB38778 [1,0,1,0,0,0|2,0,0]=4 51 B12R1.28 CNCCCc1cccc(c1)F AB38769 [1,0,1,0,0,0|2,0,0]=4 52 B12R1.28 Cc1cccc(c1)CCCNC AB38759 [1,0,1,0,0,0|1,0,0]=3 53 B12R2.1081 CC1c2ccccc2CCN1 AB07224 [2,0,0,0,0,0|1,0,0]=3 54 B12R2.1081 c1cc2c(nc1)C(CCC2)N MB05927 [2,0,0,0,0,0|2,0,0]=4 55 B12R2.1081 c1cc2c(nc1)CCCC2N PB24835 [2,0,0,0,0,0|2,0,0]=4 56 B12R2.1081 c1ccc2c(c1)C(CCN2)N AB39305 [2,0,0,0,0,0|2,0,0]=4 57 B12R2.1081 c1ccc2c(c1)C(CCO2)N AB06995 [2,0,0,0,0,0|2,0,0]=4 58 B12R2.1081 c1ccc2c(c1)CCCC2N AB00150 [2,0,0,0,0,0|1,0,0]=3 59 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N AB06758 [2,0,0,0,0,0|1,0,0]=3 60 B12R2.1081 c1ccc2c(c1)COCC2N PB29671 [2,0,0,0,0,0|2,0,0]=4 61 B12R2.1081 c1ccc2c(c1)COCC2O AB70306 [2,0,0,0,0,0|2,0,0]=4 62 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N AB45531 [2,0,0,0,0,0|2,0,0]=4 63 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N AB29090 [2,0,0,0,0,0|2,0,0]=4 64 B12R2.1081 c1cncc2c1C(CCC2)N MB05957 [2,0,0,0,0,0|2,0,0]=4 65 B12R2.1081 c1cncc2c1CCCC2N MB05952 [2,0,0,0,0,0|2,0,0]=4 66 B12R2.24 Cc1cc2c(cn1)CCCN2 AB72995 [2,0,0,0,0,0|2,0,0]=4 67 B12R2.24 Cc1cc2c(cn1)CCNC2 AB68344 [2,0,0,0,0,0|2,0,0]=4 68 B12R2.24 Cc1cc2c(cn1)CNCC2 AB84973 [2,0,0,0,0,0|2,0,0]=4 69 B12R2.24 Cc1cc2c(cn1)NCCC2 AB73038 [2,0,0,0,0,0|2,0,0]=4 70 B12R2.24 Cc1cc2c(nc1)CCNC2 AB50085 [2,0,0,0,0,0|2,0,0]=4 71 B12R2.24 Cc1cc2c(nc1)CNCC2 AB73904 [2,0,0,0,0,0|2,0,0]=4 72 B12R2.24 Cc1ccc2c(c1)CCNC2 AB28729 [2,0,0,0,0,0|1,0,0]=3 73 B12R2.24 Cc1ccc2c(c1)CNCC2 AB12958 [2,0,0,0,0,0|1,0,0]=3 74 B12R2.24 Cc1ccc2c(c1)NCCC2 MB04674 [2,0,0,0,0,0|1,0,0]=3 75 B12R2.24 Cc1ccc2c(c1)NCCO2 AB10553 [2,0,0,0,0,0|2,0,0]=4 76 B12R2.24 Cc1ccc2c(n1)CCCN2 AB76272 [2,0,0,0,0,0|2,0,0]=4 77 B12R2.24 Cc1ccc2c(n1)CCNC2 AB68625 [2,0,0,0,0,0|2,0,0]=4 78 B12R2.24 Cc1ccc2c(n1)CNCC2 AB70133 [2,0,0,0,0,0|2,0,0]=4 79 B12R2.24 Cc1ccc2c(n1)NCCC2 AB29056 [2,0,0,0,0,0|2,0,0]=4 80 B12R2.24 c1cc(nc2c1CCCC2)O AB62868 [2,0,0,0,0,0|2,0,0]=4 81 B12R2.24 c1cc2c(cc1Br)CCCN2 PB12808 [2,0,0,0,0,0|2,0,0]=4 82 B12R2.24 c1cc2c(cc1Br)CCCO2 MB08745 [2,0,0,0,0,0|2,0,0]=4 83 B12R2.24 c1cc2c(cc1Br)CCNC2 MB05621 [2,0,0,0,0,0|2,0,0]=4 84 B12R2.24 c1cc2c(cc1Br)CCNC2 PB30910 [2,0,0,0,0,0|2,0,0]=4 85 B12R2.24 c1cc2c(cc1Br)CCOC2 MB09745 [2,0,0,0,0,0|2,0,0]=4 86 B12R2.24 c1cc2c(cc1Br)CNCC2 PB18756 [2,0,0,0,0,0|2,0,0]=4 87 B12R2.24 c1cc2c(cc1Br)NCCC2 PB12525 [2,0,0,0,0,0|2,0,0]=4 88 B12R2.24 c1cc2c(cc1Cl)CCCN2 MB06841 [2,0,0,0,0,0|2,0,0]=4 89 B12R2.24 c1cc2c(cc1Cl)CCNC2 AB28730 [2,0,0,0,0,0|2,0,0]=4 90 B12R2.24 c1cc2c(cc1Cl)CNCC2 AB22480 [2,0,0,0,0,0|2,0,0]=4 91 B12R2.24 c1cc2c(cc1Cl)NCCC2 MB06330 [2,0,0,0,0,0|2,0,0]=4 92 B12R2.24 c1cc2c(cc1F)CCCN2 MB06900 [2,0,0,0,0,0|2,0,0]=4 93 B12R2.24 c1cc2c(cc1F)CCCO2 AB43944 [2,0,0,0,0,0|2,0,0]=4 94 B12R2.24 c1cc2c(cc1F)CCNC2 AB28734 [2,0,0,0,0,0|2,0,0]=4 95 B12R2.24 c1cc2c(cc1F)CCOC2 MB09734 [2,0,0,0,0,0|2,0,0]=4 96 B12R2.24 c1cc2c(cc1F)CNCC2 AB13380 [2,0,0,0,0,0|2,0,0]=4 97 B12R2.24 c1cc2c(cc1I)CCCN2 MB08861 [2,0,0,0,0,0|2,0,0]=4 98 B12R2.24 c1cc2c(cc1N)CCCN2 AB50011 [2,0,0,0,0,0|2,0,0]=4 99 B12R2.24 c1cc2c(cc1N)CCNC2 AB19115 [2,0,0,0,0,0|2,0,0]=4 100 B12R2.24 c1cc2c(cc1N)CCOC2 MB07027 [2,0,0,0,0,0|2,0,0]=4 101 B12R2.24 c1cc2c(cc1N)CNCC2 AB21317 [2,0,0,0,0,0|2,0,0]=4 102 B12R2.24 c1cc2c(cc1O)CCNC2 AB09835 [2,0,0,0,0,0|2,0,0]=4 103 B12R2.24 c1cc2c(cc1O)CNCC2 MB05747 [2,0,0,0,0,0|2,0,0]=4 104 B14R1.6051 CC(C)(C)c1ccc(cc1N(C)C)O MB24736 [0,1,1,0,0,0|2,0,0]=4 105 B14R1.6051 CC(C)c1cc(ccc1C(C)(C)C)O MB22431 [0,1,1,0,0,0|1,0,0]=3 106 B14R1.164 CC(C)c1ccc(cc1OC(C)C)O MB22935 [0,1,1,0,0,0|2,0,0]=4 107 B14R2.3459 c1ccc2c(c1)CCCC2(CN)O AB11059 [1,1,0,0,0,0|1,0,0]=3 108 B14R2.3459 c1ccc2c(c1)CCCC2(CN)O AB31029 [1,1,0,0,0,0|1,0,0]=3 109 B14R2.4536 CC1(c2cc(ccc2CCN1)Br)C AB77384 [1,1,0,0,0,0|1,0,0]=3 110 B14R2.29285 CC1(c2ccccc2C(=O)CO1)C AB70312 [1,1,0,0,0,0|1,0,1]=4 111 B14R2.29285 CC1(c2ccccc2C(CO1)N)C AB70309 [1,1,0,0,0,0|1,0,0]=3 112 B14R2.1801 CN1CCCc2c1ccc(c2)C=O AB13794 [1,1,0,0,0,0|1,0,1]=4 113 B14R2.1801 COc1ccc2c(c1)CCCC2=O MB00111 [1,1,0,0,0,0|1,0,1]=4 114 B14R2.1801 COc1ccc2c(c1)CCCC2N AB09820 [1,1,0,0,0,0|1,0,0]=3 115 B14R2.8038 c1cc(c(c2c1C(CCC2)N)Cl)Cl AB38503 [1,1,0,0,0,0|2,0,0]=4 116 B14R2.8038 c1cc(c(c2c1C(CCC2)N)F)F AB38464 [1,1,0,0,0,0|2,0,0]=4 117 B14R2.8038 c1cc(c(c2c1[C@@H](CCC2)N)Cl)Cl AB38505 [1,1,0,0,0,0|2,0,0]=4 118 B14R2.8038 c1cc(c(c2c1[C@@H](CCC2)N)F)F AB38466 [1,1,0,0,0,0|2,0,0]=4 119 B14R2.8038 c1cc(c(c2c1[C@H](CCC2)N)Cl)Cl AB38509 [1,1,0,0,0,0|2,0,0]=4 120 B14R2.8038 c1cc(c(c2c1[C@H](CCC2)N)F)F AB38467 [1,1,0,0,0,0|2,0,0]=4 121 B14R2.8751 CN1CCC(c2c1ccc(c2)Br)N MB69180 [1,1,0,0,0,0|2,0,0]=4 122 B14R2.8751 CN1CCC(c2c1ccc(c2)Cl)N MB69185 [1,1,0,0,0,0|2,0,0]=4 123 B14R2.8751 CN1CCC(c2c1ccc(c2)F)N MB69192 [1,1,0,0,0,0|2,0,0]=4 124 B14R2.8751 Cc1ccc2c(c1)C(=O)CCN2C MB01307 [1,1,0,0,0,0|1,0,1]=4 125 B14R2.8751 Cc1ccc2c(c1)C(CCN2C)N MB69174 [1,1,0,0,0,0|1,0,0]=3 126 B14R2.28472 Cc1cc2c(cc1Cl)C(CCO2)N MB07210 [1,1,0,0,0,0|2,0,0]=4 127 B14R2.28472 c1c2c(cc(c1Cl)Cl)C(CCC2)N AB38517 [1,1,0,0,0,0|2,0,0]=4 128 B14R2.28472 c1c2c(cc(c1Cl)Cl)[C@@H](CCC2)N AB38518 [1,1,0,0,0,0|2,0,0]=4 129 B14R2.28472 c1c2c(cc(c1Cl)Cl)[C@H](CCC2)N AB38519 [1,1,0,0,0,0|2,0,0]=4 130 B14R2.28480 c1c(cc(c2c1CCCC2N)F)F AB38480 [1,1,0,0,0,0|2,0,0]=4 131 B14R2.28480 c1c(cc(c2c1CCC[C@@H]2N)F)F AB38486 [1,1,0,0,0,0|2,0,0]=4 132 B14R2.28480 c1c(cc(c2c1CCC[C@H]2N)F)F AB38482 [1,1,0,0,0,0|2,0,0]=4 133 B14R2.4643 CC1(CN(c2c1ccc(c2)N)C)C AB55986 [0,1,0,0,1,0|2,0,0]=4 134 B14R3.3058 c1ccc2c(c1)CCNC23CC3 AB69668 [1,0,0,1,0,0|1,0,0]=3 135 B16R3.11488 c1cc2c(cc1Br)CCNC23COC3 AB82483 [0,1,0,1,0,0|2,0,0]=4 136 B16R3.11488 c1cc2c(cc1F)CCNC23COC3 AB82481 [0,1,0,1,0,0|2,0,0]=4 137 B16R3.11488 c1cc2c(cc1I)CCNC23COC3 AB82485 [0,1,0,1,0,0|2,0,0]=4 138 B12R2.2403 CC1(CNc2c1cccc2)C PB13437 [1,0,0,0,1,0|1,0,0]=3 139 B12R2.2403 CC1(c2ccccc2CN1)C PB19698 [1,0,0,0,1,0|1,0,0]=3 140 B12R2.612 CN1CCc2c1ccc(c2)N AB49440 [1,0,0,0,1,0|2,0,0]=4 141 B12R2.612 Cc1ccc2c(c1)CCC2N AB38267 [1,0,0,0,1,0|1,0,0]=3 142 B12R2.612 Cc1ccc2c(c1)CC[C@@H]2N AB38272 [1,0,0,0,1,0|1,0,0]=3 143 B12R2.612 Cc1ccc2c(c1)CC[C@H]2N AB38268 [1,0,0,0,1,0|1,0,0]=3 144 B12R2.612 c1cc2c(cc1Br)CCC2N AB38395 [1,0,0,0,1,0|2,0,0]=4 145 B12R2.612 c1cc2c(cc1Br)CCC2O AB30452 [1,0,0,0,1,0|2,0,0]=4 146 B12R2.612 c1cc2c(cc1Br)CC[C@@H]2N AB29101 [1,0,0,0,1,0|2,0,0]=4 147 B12R2.612 c1cc2c(cc1Br)CC[C@H]2N AB29099 [1,0,0,0,1,0|2,0,0]=4 148 B12R2.612 c1cc2c(cc1Cl)CCC2N AB38345 [1,0,0,0,1,0|2,0,0]=4 149 B12R2.612 c1cc2c(cc1Cl)CC[C@@H]2N AB38352 [1,0,0,0,1,0|2,0,0]=4 150 B12R2.612 c1cc2c(cc1Cl)CC[C@H]2N AB38349 [1,0,0,0,1,0|2,0,0]=4 151 B12R2.612 c1cc2c(cc1F)CCC2N AB38284 [1,0,0,0,1,0|2,0,0]=4 152 B12R2.612 c1cc2c(cc1F)CC[C@@H]2N AB29094 [1,0,0,0,1,0|2,0,0]=4 153 B12R2.612 c1cc2c(cc1F)CC[C@H]2N AB29097 [1,0,0,0,1,0|2,0,0]=4 154 B12R2.612 c1cc2c(cc1O)CC[C@H]2N AB43048 [1,0,0,0,1,0|2,0,0]=4 155 B14R1.1601 CC(C)(C)Oc1ccc(cc1CN)O MB27309 [0,0,1,0,0,1|2,0,0]=4 156 B14R1.1601 CC(C)(C)Oc1ccc(cc1NC)O MB26413 [0,0,1,0,0,1|2,0,0]=4 157 B14R1.1601 CC(C)(C)Oc1ccc(cc1OC)O MB26522 [0,0,1,0,0,1|2,0,0]=4 158 B14R1.1601 CCc1cc(ccc1OC(C)(C)C)O MB23764 [0,0,1,0,0,1|1,0,0]=3 159 B14R2.4493 CC1(CNc2cc(ccc2O1)N)C AB64321 [0,0,0,0,1,1|2,0,0]=4