0 B12R1.125 CC(C)COc1c(cccn1)Br AB68532 [0,0,0,0,0,0|3,1,0]=4 1 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br AB08440 [0,0,0,0,0,0|3,1,0]=4 2 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl AB01190 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.125 c1ccc(c(c1)CCC(=O)O)F AB08452 [0,0,0,0,0,0|3,1,0]=4 4 B12R1.125 c1ccc(c(c1)CCC(=O)O)I MB00406 [0,0,0,0,0,0|3,1,0]=4 5 B12R1.125 c1ccc(c(c1)CCC(=O)O)O MB00231 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.17 Cc1ccccc1CCC=O AB42260 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.17 Cc1ccccc1CCCN AB38679 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.17 c1cc(c(nc1)Cl)CCCN AB55105 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.17 c1ccc(c(c1)CCC=O)Br AB49228 [1,0,0,0,0,0|2,1,0]=4 10 B11R1.17 c1ccc(c(c1)CCC=O)Cl AB42271 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.17 c1ccc(c(c1)CCC=O)F AB49232 [1,0,0,0,0,0|2,1,0]=4 12 B11R1.17 c1ccc(c(c1)CCCN)Br AB38695 [1,0,0,0,0,0|2,1,0]=4 13 B11R1.17 c1ccc(c(c1)CCCN)Cl AB23306 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.17 c1ccc(c(c1)CCCN)F AB38684 [1,0,0,0,0,0|2,1,0]=4 15 B11R1.17 c1cncc(c1Cl)CCCN AB68003 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.91 B(CCc1ccccc1)(O)O AB09361 [1,0,0,0,0,0|3,0,0]=4 17 B13R1.150 c1cc(c(c(c1)Cl)Cl)CCC(=O)O AB30477 [0,1,0,0,0,0|3,0,0]=4 18 B13R1.201 c1ccc(c(c1)C(CC(=O)O)N)Cl AB10448 [0,1,0,0,0,0|3,0,0]=4 19 B13R1.201 c1ccc(c(c1)[C@@H](CC(=O)O)N)Cl AB17716 [0,1,0,0,0,0|3,0,0]=4 20 B13R1.201 c1ccc(c(c1)[C@H](CC(=O)O)N)Cl AB17779 [0,1,0,0,0,0|3,0,0]=4 21 B13R1.202 c1ccc(c(c1)CC(C(=O)O)N)Cl AB01662 [0,1,0,0,0,0|3,0,0]=4 22 B13R1.202 c1ccc(c(c1)C[C@H](C(=O)O)N)Cl AB02989 [0,1,0,0,0,0|3,0,0]=4 23 B13R2.222 CC1(CNc2ccccc2O1)C AB64324 [0,0,0,1,0,0|3,0,0]=4 24 B13R2.222 CC1(COc2ccccc2N1)C AB72712 [0,0,0,1,0,0|3,0,0]=4 25 B13R2.5179 c1cc2c(c(c1)Br)CCC(=O)C2 AB17098 [0,0,0,1,0,0|2,1,0]=4 26 B13R2.5179 c1cc2c(c(c1)Cl)CCC(=O)C2 AB17118 [0,0,0,1,0,0|2,0,0]=3 27 B13R2.5179 c1cc2c(c(c1)F)CCC(=O)C2 AB17125 [0,0,0,1,0,0|2,1,0]=4 28 B13R2.5179 c1cc2c(c(c1)O)CCC(=O)C2 MB03115 [0,0,0,1,0,0|3,0,0]=4 29 B11R1.86 CC(Cc1ccccc1Br)N MB08211 [0,0,0,0,1,0|2,1,0]=4 30 B11R1.86 CC(Cc1ccccc1Cl)N MB06204 [0,0,0,0,1,0|2,0,0]=3 31 B11R1.86 CN(C)Cc1ccccc1Br AB01037 [0,0,0,0,1,0|0,1,0]=2 32 B11R1.86 CN(C)Cc1ccccc1N AB01574 [0,0,0,0,1,0|1,0,0]=2 33 B11R1.86 Cc1ccccc1CC(C)N MB01550 [0,0,0,0,1,0|3,0,0]=4 34 B11R1.86 c1ccc(c(c1)CC(=N)N)Cl AB60879 [0,0,0,0,1,0|3,0,0]=4 35 B13R1.158 c1ccc(c(c1)NCCC(=O)O)Cl AB07374 [0,0,0,0,0,1|3,0,0]=4 36 B10R1.4 CCCc1cncnc1Cl AB55649 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.4 CNCc1c(cccn1)F PB12566 [2,0,0,0,0,0|1,1,0]=4 38 B10R1.4 CNCc1cccnc1Cl AB53845 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.4 CNCc1cnccc1Br AB67968 [2,0,0,0,0,0|1,1,0]=4 40 B10R1.4 CNCc1cnccc1Cl AB67984 [2,0,0,0,0,0|1,0,0]=3 41 B10R1.4 CNCc1cnccc1F AB68060 [2,0,0,0,0,0|1,1,0]=4 42 B10R1.4 Cc1c(cccn1)CCN AB66943 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.4 Cc1c(cccn1)CNC AB66889 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.4 Cc1cccnc1CCN AB31462 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.4 Cc1ccncc1CCN AB55157 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.4 Cc1ccncc1CNC AB67828 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.4 c1cc(c(nc1)Br)CCN AB45464 [2,0,0,0,0,0|1,1,0]=4 48 B10R1.4 c1cc(c(nc1)CCN)Br PB14588 [2,0,0,0,0,0|1,1,0]=4 49 B10R1.4 c1cc(c(nc1)CCN)F AB45483 [2,0,0,0,0,0|1,1,0]=4 50 B10R1.4 c1cc(c(nc1)Cl)CCN AB45428 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.4 c1ccc(c(c1)CCN)N AB22073 [2,0,0,0,0,0|1,0,0]=3 52 B10R1.4 c1ccc(c(c1)CCN)O MB00877 [2,0,0,0,0,0|1,0,0]=3 53 B10R1.4 c1ccc(c(c1)CNN)Br PB27972 [2,0,0,0,0,0|1,1,0]=4 54 B10R1.4 c1ccc(c(c1)CNN)Cl PB29439 [2,0,0,0,0,0|1,0,0]=3 55 B10R1.4 c1ccc(c(c1)CNN)F PB23531 [2,0,0,0,0,0|1,1,0]=4 56 B10R1.4 c1cncc(c1Br)CCN AB45481 [2,0,0,0,0,0|1,1,0]=4 57 B10R1.4 c1cncc(c1Cl)CCN AB68002 [2,0,0,0,0,0|1,0,0]=3 58 B10R1.4 c1cncc(c1F)CCN AB55177 [2,0,0,0,0,0|1,1,0]=4 59 B10R1.17 CNCCc1cccnc1 AB10676 [2,0,0,0,0,0|1,0,0]=3 60 B10R1.17 CNCCc1ccncc1 AB02055 [2,0,0,0,0,0|1,0,0]=3 61 B10R1.17 c1ccc(cc1)CCC=O AB00823 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.17 c1ccc(cc1)CCCN AB00940 [2,0,0,0,0,0|2,0,0]=4 63 B12R1.25 c1cc(c(c(c1)Cl)Cl)CCCN AB38716 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.69 c1cc(c(cc1Cl)Cl)CCCN AB38717 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.267 CNCCCc1ccccc1Br AB38782 [1,1,0,0,0,0|0,1,0]=3 66 B12R1.267 CNCCCc1ccccc1Cl AB38777 [1,1,0,0,0,0|0,0,0]=2 67 B12R1.267 CNCCCc1ccccc1F AB38765 [1,1,0,0,0,0|0,1,0]=3 68 B12R1.267 Cc1ccccc1CCCNC AB38758 [1,1,0,0,0,0|1,0,0]=3 69 B12R1.308 c1ccc(c(c1)C(CCO)N)Cl AB14424 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.371 COC(=N)Cc1ccccc1Cl AB60946 [1,1,0,0,0,0|1,0,1]=4 71 B12R1.21 CN(C)CCc1ccc(cc1)N AB18473 [1,1,0,0,0,0|0,0,0]=2 72 B12R1.27 C[C@H](CN)NCc1ccccc1 AB72049 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.891 CC(C)(CCc1ccccc1)N AB03652 [1,1,0,0,0,0|1,0,0]=3 74 B12R1.124 CN(C)C(=O)c1ccccc1O MB01180 [0,1,0,0,1,0|1,0,1]=4 75 B12R1.127 CC(C)Oc1cc(ccc1Cl)O MB22972 [0,1,0,0,1,0|2,0,0]=4 76 B12R1.127 CN(C)Cc1cc(ccc1Br)O AB25672 [0,1,0,0,1,0|0,1,0]=3 77 B12R1.151 CC(C)(Cc1ccccc1Br)N AB64466 [0,1,0,0,1,0|1,1,0]=4 78 B12R1.151 CC(C)(Cc1ccccc1Cl)N AB07476 [0,1,0,0,1,0|1,0,0]=3 79 B12R1.151 CC(C)(Cc1ccccc1F)N AB54578 [0,1,0,0,1,0|1,1,0]=4 80 B12R1.151 CC(C)(Cc1ccccc1N)N AB68846 [0,1,0,0,1,0|2,0,0]=4 81 B12R1.224 CC(C)Oc1cccc(c1Cl)O MB23238 [0,1,0,0,1,0|2,0,0]=4 82 B12R1.233 CC(C)Oc1ccc(cc1Cl)O MB13560 [0,1,0,0,1,0|2,0,0]=4 83 B12R1.1009 CC(C)Oc1c(cccc1Cl)O MB22820 [0,1,0,0,1,0|2,0,0]=4 84 B14R1.160 CC(C)NCC(c1ccccc1Cl)O AB07467 [0,1,0,0,0,1|1,0,0]=3 85 B12R2.24 c1ccc2c(c1)CCN(C2)N MB00779 [1,0,0,1,0,0|2,0,0]=4 86 B12R2.41 c1ccc2c(c1)CCCCN2 AB05634 [1,0,0,1,0,0|2,0,0]=4 87 B12R2.41 c1ccc2c(c1)CCNCC2 AB16913 [1,0,0,1,0,0|1,0,0]=3 88 B12R2.41 c1ccc2c(c1)CCNCC2 PB31022 [1,0,0,1,0,0|1,0,0]=3 89 B12R2.196 CC1=c2cccc(c2=NC1)Cl AB44105 [1,0,0,1,0,0|2,0,0]=4 90 B12R2.196 c1cc2c(c(c1)Cl)CCC2=O PB25074 [1,0,0,1,0,0|2,0,0]=4 91 B12R2.196 c1cc2c(c(c1)Cl)CCC2N AB38335 [1,0,0,1,0,0|2,0,0]=4 92 B12R2.196 c1cc2c(c(c1)Cl)CC[C@@H]2N AB38341 [1,0,0,1,0,0|2,0,0]=4 93 B12R2.196 c1cc2c(c(c1)Cl)CC[C@H]2N AB38338 [1,0,0,1,0,0|2,0,0]=4 94 B12R2.225 c1ccc(c(c1)OC2CC2)Cl MB36032 [1,0,0,1,0,0|2,0,0]=4 95 B12R2.1081 Cc1c2c(ccn1)CNCC2 AB84983 [1,0,0,1,0,0|2,0,0]=4 96 B12R2.1081 c1c2c(c(cn1)Br)CCNC2 AB76671 [1,0,0,1,0,0|1,1,0]=4 97 B12R2.1081 c1c2c(c(cn1)Cl)CCNC2 AB84975 [1,0,0,1,0,0|1,0,0]=3 98 B12R2.1081 c1cc2c(c(c1)Br)CCCC2 MB06103 [1,0,0,1,0,0|1,1,0]=4 99 B12R2.1081 c1cc2c(c(c1)Br)CCNC2 PB22176 [1,0,0,1,0,0|0,1,0]=3 100 B12R2.1081 c1cc2c(c(c1)Cl)CCCN2 MB06321 [1,0,0,1,0,0|2,0,0]=4 101 B12R2.1081 c1cc2c(c(c1)Cl)CCNC2 AB45748 [1,0,0,1,0,0|0,0,0]=2 102 B12R2.1081 c1cc2c(c(c1)Cl)CCNC2 MB03608 [1,0,0,1,0,0|0,0,0]=2 103 B12R2.1081 c1cc2c(c(c1)Cl)CNCC2 AB45195 [1,0,0,1,0,0|2,0,0]=4 104 B12R2.1081 c1cc2c(c(c1)N)CCNC2 AB12578 [1,0,0,1,0,0|1,0,0]=3 105 B12R2.1081 c1cnc(c2c1CNCC2)Cl AB56101 [1,0,0,1,0,0|1,0,0]=3 106 B12R2.1081 c1cnc2c(c1Br)CCNC2 AB73915 [1,0,0,1,0,0|1,1,0]=4 107 B12R2.1081 c1cnc2c(c1Cl)CCNC2 AB73916 [1,0,0,1,0,0|1,0,0]=3 108 B12R2.1081 c1cnc2c(c1O)CCNC2 AB73921 [1,0,0,1,0,0|2,0,0]=4 109 B12R2.1081 c1nc2c(c(n1)Cl)CCNC2 AB64232 [1,0,0,1,0,0|2,0,0]=4 110 B12R2.22 c1ccc(cc1)C2CC(=O)C2 PB26115 [1,0,0,1,0,0|2,0,0]=4 111 B12R2.22 c1ccc(cc1)C2CC(C2)N PB19234 [1,0,0,1,0,0|2,0,0]=4 112 B12R2.22 c1ccc(cc1)[C@H]2C[C@@H](C2)N PB38990 [1,0,0,1,0,0|2,0,0]=4 113 B12R2.22 c1ccc(cc1)[C@H]2C[C@H](C2)N PB38200 [1,0,0,1,0,0|2,0,0]=4 114 B12R2.2403 CC1(CNc2c1cccc2)C PB13437 [1,0,0,1,0,0|2,0,0]=4 115 B12R2.2403 CC1(c2ccccc2CN1)C PB19698 [1,0,0,1,0,0|2,0,0]=4 116 B12R2.95 CC1(Cc2ccccc2N1)C AB70011 [0,0,0,1,1,0|2,0,0]=4 117 B12R2.202 CN1Cc2cccc(c2C1)N MB08489 [0,0,0,1,1,0|1,0,0]=3 118 B12R2.202 c1cc2c(c(c1)Cl)CC(C2)N AB69973 [0,0,0,1,1,0|2,0,0]=4 119 B14R2.781 CC(C)C1CNc2ccccc2O1 AB72722 [0,0,0,1,0,1|2,0,0]=4 120 B14R2.4487 c1cc(c(c(c1)OCC2CC2)Cl)O MB47957 [0,1,0,1,0,0|2,0,0]=4 121 B14R2.5632 CN1CCc2cccc(c2CC1)Br MB69109 [0,1,0,1,0,0|0,1,0]=3 122 B14R2.5632 CN1CCc2cccc(c2CC1)Cl MB01559 [0,1,0,1,0,0|0,0,0]=2 123 B14R2.4687 c1cc(c(cc1O)Cl)OCC2CC2 MB34325 [0,1,0,1,0,0|2,0,0]=4 124 B14R2.5634 CN1CCc2ccc(cc2CC1)Br MB69112 [0,1,0,1,0,0|1,0,0]=3 125 B14R2.5634 CN1CCc2ccc(cc2CC1)Cl MB69110 [0,1,0,1,0,0|1,0,0]=3 126 B14R2.29365 c1c(cc(c2c1CC(=O)CC2)Cl)Cl MB09066 [0,1,0,1,0,0|2,0,0]=4 127 B14R2.29496 CC1(CC(c2ccccc2O1)N)C AB48191 [0,1,0,1,0,0|2,0,0]=4 128 B14R2.93 c1ccc2c(c1)CCN(CC2)C=O AB50388 [0,1,0,1,0,0|1,0,1]=4 129 B14R2.305 c1cc(c(cc1O)OCC2CC2)Cl MB35570 [0,1,0,1,0,0|2,0,0]=4 130 B14R2.717 c1cc(c(c(c1)Cl)OCC2CC2)O MB26437 [0,1,0,1,0,0|2,0,0]=4 131 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [1,0,0,0,1,0|2,0,0]=4 132 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [1,0,0,0,1,0|2,0,0]=4 133 B10R1.61 CN(C)c1c(cccn1)Br AB67478 [0,0,0,0,2,0|1,1,0]=4 134 B10R1.61 CN(C)c1c(cccn1)Cl AB67480 [0,0,0,0,2,0|1,0,0]=3 135 B10R1.61 CN(C)c1c(cccn1)O MB24991 [0,0,0,0,2,0|2,0,0]=4 136 B10R1.61 CN(C)c1c(nccn1)Cl MB12030 [0,0,0,0,2,0|2,0,0]=4 137 B10R1.61 CN(C)c1ccccc1O MB08302 [0,0,0,0,2,0|1,0,0]=3 138 B10R1.61 CN(C)c1ccncc1O MB24982 [0,0,0,0,2,0|2,0,0]=4 139 B10R1.61 CN(C)c1cnccc1O MB24989 [0,0,0,0,2,0|2,0,0]=4