0 B13R1.3 CC(=O)COc1ccc(cc1)C#N AB26115 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.3 CC(=O)COc1ccc(cc1)OC AB16833 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.3 CC(=O)OCc1ccc(nc1)C#N AB49314 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.3 CNc1ccc(cc1)CCC(=O)O AB72168 [0,0,0,0,0,0|3,0,0]=3 4 B13R1.3 COc1ccc(cc1)CCC(=O)O AB00265 [0,0,0,0,0,0|2,0,0]=2 5 B13R1.3 c1cc(ccc1CCC(=O)O)C#N MB05759 [0,0,0,0,0,0|4,0,0]=4 6 B13R1.3 c1cc(ccc1CCC(=O)O)C=O MB05763 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.21 CC(=O)COc1ccc(cc1)Br AB26100 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.21 CC(=O)COc1ccc(cc1)Cl AB26096 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.21 CC(=O)COc1ccc(cc1)F AB26104 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.21 CC(=O)COc1ccc(cc1)I AB26107 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.21 Cc1ccc(cc1)CCC(=O)O AB01198 [1,0,0,0,0,0|2,0,0]=3 12 B12R1.21 Cc1ccc(cc1)OCC(=O)C AB26110 [1,0,0,0,0,0|2,0,0]=3 13 B12R1.21 c1cc(ccc1CCC(=O)O)Br AB08447 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.21 c1cc(ccc1CCC(=O)O)Cl AB01196 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.21 c1cc(ccc1CCC(=O)O)F AB02388 [1,0,0,0,0,0|3,0,0]=4 16 B12R1.21 c1cc(ccc1CCC(=O)O)N AB01235 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.21 c1cc(ccc1CCC(=O)O)O AB00269 [1,0,0,0,0,0|2,0,0]=3 18 B12R1.71 CNCCc1ccc(cc1)OC AB07595 [1,0,0,0,0,0|2,0,0]=3 19 B12R1.71 CNCCc1ccc(cn1)OC AB73196 [1,0,0,0,0,0|3,0,0]=4 20 B12R1.71 COc1ccc(cc1)CCC=O AB06888 [1,0,0,0,0,0|1,0,0]=2 21 B12R1.71 COc1ccc(cc1)CCCN AB07604 [1,0,0,0,0,0|2,0,1]=4 22 B12R1.71 COc1ccc(cc1)CCCO AB00287 [1,0,0,0,0,0|1,0,2]=4 23 B14R1.2 CCc1ccc(cc1)C(CC(=O)O)N AB10605 [0,1,0,0,0,0|3,0,0]=4 24 B14R1.2 CCc1ccc(cc1)[C@@H](CC(=O)O)N AB35814 [0,1,0,0,0,0|3,0,0]=4 25 B14R1.2 CCc1ccc(cc1)[C@H](CC(=O)O)N AB23537 [0,1,0,0,0,0|3,0,0]=4 26 B14R1.2 COc1ccc(cc1)C(CC(=O)O)N AB04473 [0,1,0,0,0,0|2,0,0]=3 27 B14R1.2 COc1ccc(cc1)[C@@H](CC(=O)O)N AB08689 [0,1,0,0,0,0|2,0,0]=3 28 B14R1.2 COc1ccc(cc1)[C@H](CC(=O)O)N AB17827 [0,1,0,0,0,0|2,0,0]=3 29 B14R1.3 CCc1ccc(cc1)CC(C(=O)O)N AB21663 [0,1,0,0,0,0|3,0,0]=4 30 B14R1.3 CCc1ccc(cc1)C[C@@H](C(=O)O)N AB09426 [0,1,0,0,0,0|3,0,0]=4 31 B14R1.3 CCc1ccc(cc1)C[C@H](C(=O)O)N AB33358 [0,1,0,0,0,0|3,0,0]=4 32 B14R1.3 COc1ccc(cc1)CC(C(=O)O)N AB02503 [0,1,0,0,0,0|2,0,0]=3 33 B14R1.3 COc1ccc(cc1)C[C@@H](C(=O)O)N AB00243 [0,1,0,0,0,0|2,0,0]=3 34 B14R1.211 COc1ccc(cc1)CCS(=O)(=O)Cl AB54568 [0,1,0,0,0,0|3,0,0]=4 35 B14R1.419 B(c1ccc(cc1)CNC(=O)C)(O)O AB26390 [0,1,0,0,0,0|3,0,0]=4 36 B14R2.134 COc1cc2c(cn1)CNC(=O)C2 AB77281 [0,0,0,1,0,0|2,0,0]=3 37 B14R2.134 COc1ccc2c(c1)CC(=O)CC2 AB00149 [0,0,0,1,0,0|1,0,0]=2 38 B14R2.134 COc1ccc2c(c1)CC(CC2)N AB28763 [0,0,0,1,0,0|2,0,1]=4 39 B14R2.134 COc1ccc2c(c1)C[C@@H](CC2)N AB06762 [0,0,0,1,0,0|2,0,1]=4 40 B14R2.134 COc1ccc2c(c1)C[C@H](CC2)N AB06766 [0,0,0,1,0,0|2,0,1]=4 41 B14R2.134 COc1ccc2c(c1)NC(=O)CO2 AB44261 [0,0,0,1,0,0|3,0,0]=4 42 B14R2.134 COc1ccc2c(n1)CC(=O)NC2 AB77212 [0,0,0,1,0,0|2,0,0]=3 43 B14R2.134 COc1ccc2ccc(=O)[nH]c2c1 MB07766 [0,0,0,1,0,0|2,0,1]=4 44 B14R2.134 COc1ncc2c(n1)CC(=O)CC2 AB61061 [0,0,0,1,0,0|3,0,0]=4 45 B14R2.134 Cc1ccc2ccc(cc2n1)OC AB52428 [0,0,0,1,0,0|2,0,1]=4 46 B12R1.4 CC(=O)Cc1ccc(cc1)OC AB00957 [0,0,0,0,1,0|0,0,0]=1 47 B12R1.4 CC(Cc1ccc(cc1)OC)N MB01555 [0,0,0,0,1,0|1,0,1]=3 48 B12R1.4 COc1ccc(cc1)CC(=N)N AB09931 [0,0,0,0,1,0|2,0,0]=3 49 B12R1.4 COc1ccc(cn1)CC(=O)O AB55204 [0,0,0,0,1,0|2,0,0]=3 50 B12R1.4 COc1cnc(cn1)CC(=O)O AB69887 [0,0,0,0,1,0|3,0,0]=4 51 B12R1.4 C[C@@H](Cc1ccc(cc1)OC)N AB70588 [0,0,0,0,1,0|1,0,1]=3 52 B12R1.4 C[C@H](Cc1ccc(cc1)OC)N AB51426 [0,0,0,0,1,0|1,0,1]=3 53 B12R1.4 c1cc(ccc1CC(=O)O)CN AB17066 [0,0,0,0,1,0|3,0,0]=4 54 B11R1.1 Cc1ccc(cc1)CCC=O AB17667 [2,0,0,0,0,0|1,0,0]=3 55 B11R1.1 Cc1ccc(cc1)CCNC AB27715 [2,0,0,0,0,0|2,0,0]=4 56 B11R1.1 c1cc(ccc1CCC=O)Br AB42279 [2,0,0,0,0,0|2,0,0]=4 57 B11R1.1 c1cc(ccc1CCC=O)Cl AB42276 [2,0,0,0,0,0|2,0,0]=4 58 B11R1.1 c1cc(ccc1CCC=O)F AB43536 [2,0,0,0,0,0|2,0,0]=4 59 B11R1.1 c1cc(ccc1CCC=O)O AB49241 [2,0,0,0,0,0|1,0,0]=3 60 B11R1.91 CC(=O)OCc1cccnc1 AB49310 [2,0,0,0,0,0|1,0,0]=3 61 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [2,0,0,0,0,0|1,0,1]=4 62 B11R1.83 CNCc1ccc(cn1)OC AB67556 [2,0,0,0,0,0|2,0,0]=4 63 B11R1.83 CNCc1ccc(nc1)OC AB67058 [2,0,0,0,0,0|2,0,0]=4 64 B11R1.83 COc1ccc(cc1)CC#C AB61379 [2,0,0,0,0,0|0,0,2]=4 65 B11R1.83 COc1ccc(cc1)CC=O AB11810 [2,0,0,0,0,0|0,0,0]=2 66 B11R1.83 COc1ccc(cc1)CCO AB00284 [2,0,0,0,0,0|0,0,2]=4 67 B11R1.83 COc1ccc(cc1)CNN PB19937 [2,0,0,0,0,0|2,0,0]=4 68 B11R1.83 COc1ccc(cc1)\C=C\Br AB06149 [2,0,0,0,0,0|1,0,1]=4 69 B13R1.14 COC(=O)CCc1ccc(cc1)Br AB55324 [1,1,0,0,0,0|2,0,0]=4 70 B13R1.132 Cc1ccc(cc1)C(CC(=O)O)N AB10334 [1,1,0,0,0,0|2,0,0]=4 71 B13R1.132 Cc1ccc(cc1)[C@H](CC(=O)O)N AB16419 [1,1,0,0,0,0|2,0,0]=4 72 B13R1.132 c1cc(ccc1C(CC(=O)O)N)O AB04424 [1,1,0,0,0,0|2,0,0]=4 73 B13R1.132 c1cc(ccc1[C@H](CC(=O)O)N)O AB17825 [1,1,0,0,0,0|2,0,0]=4 74 B13R1.133 Cc1ccc(cc1)CC(C(=O)O)N AB21662 [1,1,0,0,0,0|2,0,0]=4 75 B13R1.133 Cc1ccc(cc1)C[C@@H](C(=O)O)N AB01742 [1,1,0,0,0,0|2,0,0]=4 76 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)O AB00245 [1,1,0,0,0,0|2,0,0]=4 77 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)O AB02505 [1,1,0,0,0,0|2,0,0]=4 78 B13R1.5 COc1ccc(cc1)CC(=N)OC AB60937 [1,1,0,0,0,0|2,0,0]=4 79 B13R1.371 CNCCCc1ccc(cc1)OC AB38807 [1,1,0,0,0,0|1,0,1]=4 80 B13R1.371 COc1ccc(cc1)CCCCN AB07612 [1,1,0,0,0,0|1,0,1]=4 81 B13R1.4 CC(C)(Cc1ccc(cc1)OC)N AB54584 [0,1,0,0,1,0|1,0,1]=4 82 B13R1.35 CC(C)Oc1ccc(c(c1)O)OC MB37143 [0,1,0,0,1,0|1,0,1]=4 83 B13R1.36 CCc1ccc(cc1)C(C(=O)O)N AB11989 [0,1,0,0,1,0|2,0,0]=4 84 B13R1.36 CCc1ccc(cc1)C(C(=O)O)N AB24615 [0,1,0,0,1,0|2,0,0]=4 85 B13R1.36 CCc1ccc(cc1)[C@@H](C(=O)O)N AB32689 [0,1,0,0,1,0|2,0,0]=4 86 B13R1.36 CCc1ccc(cc1)[C@H](C(=O)O)N AB32688 [0,1,0,0,1,0|2,0,0]=4 87 B13R1.36 COc1ccc(cc1)C(C(=O)O)N PB10070 [0,1,0,0,1,0|1,0,0]=3 88 B13R1.36 COc1ccc(cc1)[C@@H](C(=O)O)N AB32877 [0,1,0,0,1,0|1,0,0]=3 89 B13R1.36 COc1ccc(cc1)[C@H](C(=O)O)N AB32874 [0,1,0,0,1,0|1,0,0]=3 90 B13R1.142 c1cc(ccc1CCN)CC(=O)O AB30412 [0,1,0,0,1,0|2,0,0]=4 91 B13R1.653 CC(=O)Nc1ccc(cc1Br)OC AB63495 [0,1,0,0,1,0|1,0,0]=3 92 B13R1.653 COc1ccc(c(c1)N)CC(=O)O AB26287 [0,1,0,0,1,0|1,0,0]=3 93 B15R1.5 COc1ccc(cc1)C(=O)CCC(=O)O AB00273 [0,1,0,0,0,1|2,0,0]=4 94 B15R1.205 COc1ccc(cc1)CCC(C(=O)O)N AB34067 [0,1,0,0,0,1|2,0,0]=4 95 B15R1.205 COc1ccc(cc1)CC[C@@H](C(=O)O)N AB08618 [0,1,0,0,0,1|2,0,0]=4 96 B15R1.205 COc1ccc(cc1)CC[C@H](C(=O)O)N AB08621 [0,1,0,0,0,1|2,0,0]=4 97 B15R1.208 COc1ccc(cc1)CC(CN)C(=O)O AB12912 [0,2,0,0,0,0|2,0,0]=4 98 B15R1.208 COc1ccc(cc1)C[C@@H](CN)C(=O)O AB35080 [0,2,0,0,0,0|2,0,0]=4 99 B15R1.208 COc1ccc(cc1)C[C@H](CN)C(=O)O AB35082 [0,2,0,0,0,0|2,0,0]=4 100 B15R1.793 CCOC(=O)COc1ccc(cc1)OC AB05981 [0,2,0,0,0,0|2,0,0]=4 101 B15R1.12854 COc1ccc(cc1OC)CCC(=O)O AB00263 [0,2,0,0,0,0|2,0,0]=4 102 B13R2.147 c1cc(ccc1C2CC(=O)C2)Br PB24838 [1,0,0,1,0,0|2,0,0]=4 103 B13R2.155 Cc1cc2c(cn1)CNC(=O)C2 AB77276 [1,0,0,1,0,0|2,0,0]=4 104 B13R2.155 Cc1cc2c(nc1)CCC(=O)C2 AB61018 [1,0,0,1,0,0|2,0,0]=4 105 B13R2.155 Cc1ccc2c(c1)CC(=O)N=C2 MB08960 [1,0,0,1,0,0|1,0,1]=4 106 B13R2.155 Cc1ccc2c(n1)CC(=O)NC2 AB77215 [1,0,0,1,0,0|2,0,0]=4 107 B13R2.155 c1cc2c(cc1Br)CC(=O)CC2 AB17100 [1,0,0,1,0,0|2,0,0]=4 108 B13R2.155 c1cc2c(cc1Cl)CC(=O)CC2 AB17122 [1,0,0,1,0,0|2,0,0]=4 109 B13R2.155 c1cc2c(cc1F)CC(=O)CC2 AB17129 [1,0,0,1,0,0|2,0,0]=4 110 B13R2.155 c1cc2c(cc1N)CC(=O)CC2 AB21791 [1,0,0,1,0,0|2,0,0]=4 111 B13R2.155 c1cc2c(cc1O)CC(=O)CC2 AB17138 [1,0,0,1,0,0|1,0,0]=3 112 B13R2.155 c1cc2c(cc1O)NC(=O)CC2 AB25068 [1,0,0,1,0,0|2,0,0]=4 113 B13R2.57 COc1ccc2c(c1)CCNC2 AB09837 [1,0,0,1,0,0|1,0,1]=4 114 B13R2.57 COc1ccc2c(c1)CNCC2 AB09126 [1,0,0,1,0,0|2,0,0]=4 115 B13R2.57 COc1ccc2c(n1)CCOC2 AB73484 [1,0,0,1,0,0|1,0,1]=4 116 B13R2.669 COc1cc2c(cn1)CNC2=O AB75341 [1,0,0,1,0,0|2,0,0]=4 117 B13R2.669 COc1ccc2c(c1)C(=O)CO2 AB45799 [1,0,0,1,0,0|2,0,0]=4 118 B13R2.669 COc1ccc2c(c1)C(=O)N=N2 AB60845 [1,0,0,1,0,0|2,0,0]=4 119 B13R2.669 COc1ccc2c(c1)C(=O)OC2 MB00644 [1,0,0,1,0,0|0,0,0]=2 120 B13R2.669 CSc1ccc2c(c1)C(=O)CC2 AB44851 [1,0,0,1,0,0|1,1,0]=4 121 B13R2.2121 COc1cc2c(cn1)CC(=O)N2 AB48334 [0,0,0,1,1,0|2,0,0]=4 122 B13R2.2121 COc1cc2c(cn1)NC(=O)C2 AB62587 [0,0,0,1,1,0|2,0,0]=4 123 B13R2.2121 COc1cc2c(nc1)NC(=O)C2 AB66479 [0,0,0,1,1,0|2,0,0]=4 124 B13R2.2121 COc1ccc2c(c1)CC(=O)N2 AB10027 [0,0,0,1,1,0|1,0,0]=3 125 B13R2.2121 COc1ccc2c(c1)CC(C2)N AB43715 [0,0,0,1,1,0|1,0,1]=4 126 B13R2.2121 COc1ccc2c(c1)NC(=O)C2 AB05458 [0,0,0,1,1,0|1,0,0]=3 127 B13R2.2121 COc1ccc2c(c1)nc(o2)Cl AB63673 [0,0,0,1,1,0|2,0,0]=4 128 B13R2.2121 COc1ccc2c(n1)CC(=O)N2 AB11411 [0,0,0,1,1,0|2,0,0]=4 129 B13R2.2121 COc1ccc2c(n1)NC(=O)C2 AB66484 [0,0,0,1,1,0|2,0,0]=4 130 B15R2.2 COc1ccc(cc1)C2CCC(=O)C2 AB26340 [0,0,0,1,0,1|1,0,0]=3 131 B15R2.3137 COc1ccc2c(c1)C(CC2)C(=O)O AB09851 [0,0,0,1,0,1|2,0,0]=4 132 B15R2.3137 COc1ccc2c(c1)C(CO2)C(=O)O AB56755 [0,0,0,1,0,1|2,0,0]=4 133 B11R1.20 CC(=O)Oc1ccc(cc1)Cl AB06566 [1,0,0,0,1,0|1,0,0]=3 134 B11R1.20 CC(C)Oc1ccc(cc1)O MB06553 [1,0,0,0,1,0|1,0,1]=4 135 B11R1.20 Cc1ccc(cc1)CC(=N)N AB29086 [1,0,0,0,1,0|2,0,0]=4 136 B11R1.20 Cc1ccc(cc1)CC(C)N MB01961 [1,0,0,0,1,0|1,0,1]=4 137 B11R1.20 Cc1ccc(cn1)CC(=O)O AB04515 [1,0,0,0,1,0|2,0,0]=4 138 B11R1.20 Cc1ccc(nc1)CC(=O)O AB55198 [1,0,0,0,1,0|2,0,0]=4 139 B11R1.20 c1cc(ccc1CC(=O)O)Br AB00367 [1,0,0,0,1,0|2,0,0]=4 140 B11R1.75 Cc1cnc(o1)COC(=O)C AB63620 [1,0,0,0,1,0|2,0,0]=4 141 B11R1.3 CC(=O)c1ccc(cc1)C#C AB21444 [0,0,0,0,2,0|1,0,1]=4 142 B11R1.3 CC(=O)c1ccc(cn1)OC PB14835 [0,0,0,0,2,0|1,0,0]=3 143 B11R1.3 CC(=O)c1ccc(nc1)OC AB22367 [0,0,0,0,2,0|1,0,0]=3 144 B11R1.3 CC(=O)c1ccc(nn1)OC AB70140 [0,0,0,0,2,0|2,0,0]=4 145 B11R1.3 CC(=O)c1cnc(cn1)OC AB69890 [0,0,0,0,2,0|2,0,0]=4 146 B11R1.3 COc1ccc(cc1)C(=N)N AB06258 [0,0,0,0,2,0|2,0,0]=4 147 B11R1.3 COc1ccc(cc1)C(=O)N AB00908 [0,0,0,0,2,0|1,0,0]=3 148 B11R1.3 COc1ccc(cc1)C(=S)N AB01847 [0,0,0,0,2,0|1,1,0]=4 149 B11R1.3 COc1ccc(cn1)C(=O)O PB30805 [0,0,0,0,2,0|2,0,0]=4 150 B11R1.3 COc1ccc(nc1)C(=O)O PB17398 [0,0,0,0,2,0|2,0,0]=4 151 B13R1.513 CC(=O)OCCc1ccc(cc1)O AB51485 [1,0,0,0,0,1|0,0,0]=2 152 B13R1.643 CC(=O)COc1cccc(c1)OC AB26139 [0,0,0,0,1,1|2,0,0]=4 153 B13R1.643 COc1cc(ccn1)CCC(=O)O AB61449 [0,0,0,0,1,1|2,0,0]=4 154 B13R1.643 COc1cccc(c1)CCC(=O)O AB01136 [0,0,0,0,1,1|2,0,0]=4 155 B13R1.643 COc1cccc(c1)CCC(=O)[O-] AB72173 [0,0,0,0,1,1|2,0,0]=4