0 B11R1.91 B(CCc1ccccc1)(O)O AB09361 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.91 B(\C=C\c1ccccc1)(O)O AB07818 [0,0,0,0,0,0|1,0,3]=4 2 B11R1.91 CC(=O)OCc1cccnc1 AB49310 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [0,0,0,0,0,0|1,0,2]=3 4 B11R1.91 c1ccc(cc1)CSC(=N)N AB01105 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.91 c1cnc(nc1)NCC(=O)O AB12962 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.17 CNCCc1cccnc1 AB10676 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.17 CNCCc1ccncc1 AB02055 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.17 c1c(cncn1)CCC=O AB57646 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.17 c1cc(cnc1)CCC=O AB57626 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.17 c1cc(cnc1)CCCN AB54556 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.17 c1ccc(cc1)CCC=O AB00823 [1,0,0,0,0,0|0,0,0]=1 12 B10R1.17 c1ccc(cc1)CCCN AB00940 [1,0,0,0,0,0|1,0,1]=3 13 B10R1.17 c1ccnc(c1)CCC=O AB57635 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.17 c1ccnc(c1)CCCN AB30458 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.17 c1ccnc(c1)CCCO PB12987 [1,0,0,0,0,0|1,0,1]=3 16 B10R1.17 c1cnc(cn1)CCC=O AB57652 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.17 c1cnc(nc1)CCC=O AB57644 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.17 c1cnccc1CCC=O AB49299 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.17 c1cnccc1CCCN AB43583 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.17 c1cncnc1CCC=O AB57649 [1,0,0,0,0,0|2,0,0]=3 21 B12R1.21 CC(=O)COc1ccc(cc1)Br AB26100 [0,1,0,0,0,0|2,0,0]=3 22 B12R1.21 CC(=O)COc1ccc(cc1)Cl AB26096 [0,1,0,0,0,0|2,0,0]=3 23 B12R1.21 CC(=O)COc1ccc(cc1)F AB26104 [0,1,0,0,0,0|2,0,0]=3 24 B12R1.21 CC(=O)COc1ccc(cc1)I AB26107 [0,1,0,0,0,0|2,0,0]=3 25 B12R1.21 CN(C)CCc1ccc(cc1)N AB18473 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.21 Cc1ccc(cc1)CCC(=O)O AB01198 [0,1,0,0,0,0|0,0,0]=1 27 B12R1.21 Cc1ccc(cc1)OCC(=O)C AB26110 [0,1,0,0,0,0|2,0,0]=3 28 B12R1.21 c1c(ncc(n1)Cl)CCC(=O)O AB69916 [0,1,0,0,0,0|2,0,0]=3 29 B12R1.21 c1cc(ccc1CCC(=O)O)Br AB08447 [0,1,0,0,0,0|0,0,0]=1 30 B12R1.21 c1cc(ccc1CCC(=O)O)Cl AB01196 [0,1,0,0,0,0|0,0,0]=1 31 B12R1.21 c1cc(ccc1CCC(=O)O)F AB02388 [0,1,0,0,0,0|0,0,0]=1 32 B12R1.21 c1cc(ccc1CCC(=O)O)N AB01235 [0,1,0,0,0,0|0,0,0]=1 33 B12R1.21 c1cc(ccc1CCC(=O)O)O AB00269 [0,1,0,0,0,0|0,0,0]=1 34 B12R1.21 c1cc(ccc1CNC(=N)N)N AB48587 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.21 c1cc(ccc1OCC(=N)N)F AB08309 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.21 c1cc(ccc1OCC(=O)O)Cl AB00355 [0,1,0,0,0,0|1,0,0]=2 37 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Br AB00374 [0,1,0,0,0,0|0,0,2]=3 38 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Cl AB00377 [0,1,0,0,0,0|0,0,2]=3 39 B12R1.21 c1cc(ccc1\C=C\C(=O)O)F AB00375 [0,1,0,0,0,0|0,0,2]=3 40 B12R1.27 c1ccc(cc1)COC(=O)CN CB10135 [0,1,0,0,0,0|2,0,0]=3 41 B12R1.43 c1cc(cnc1)CC(C(=O)O)N AB11720 [0,1,0,0,0,0|1,0,0]=2 42 B12R1.43 c1cc(cnc1)C[C@@H](C(=O)O)N AB03059 [0,1,0,0,0,0|1,0,0]=2 43 B12R1.43 c1cc(cnc1)C[C@H](C(=O)O)N AB03057 [0,1,0,0,0,0|1,0,0]=2 44 B12R1.43 c1cc(cnc1)C[C@H](C(=O)O)N AB13745 [0,1,0,0,0,0|1,0,0]=2 45 B12R1.43 c1ccc(cc1)CC(C(=O)O)N AB02573 [0,1,0,0,0,0|0,0,0]=1 46 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N AB02575 [0,1,0,0,0,0|0,0,0]=1 47 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Br AB04813 [0,1,0,0,0,0|0,0,0]=1 48 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N AB00345 [0,1,0,0,0,0|0,0,0]=1 49 B12R1.43 c1ccnc(c1)CC(C(=O)O)N AB05436 [0,1,0,0,0,0|1,0,0]=2 50 B12R1.43 c1ccnc(c1)C[C@H](C(=O)O)N AB05414 [0,1,0,0,0,0|1,0,0]=2 51 B12R1.43 c1cnccc1CC(C(=O)O)N AB21677 [0,1,0,0,0,0|1,0,0]=2 52 B12R1.43 c1cnccc1C[C@H](C(=O)O)N AB10088 [0,1,0,0,0,0|1,0,0]=2 53 B12R1.107 c1cc(cnc1)C(CC(=O)O)N AB09204 [0,1,0,0,0,0|1,0,0]=2 54 B12R1.107 c1cc(cnc1)[C@@H](CC(=O)O)N AB17754 [0,1,0,0,0,0|1,0,0]=2 55 B12R1.107 c1cc(cnc1)[C@H](CC(=O)O)N AB17820 [0,1,0,0,0,0|1,0,0]=2 56 B12R1.107 c1ccc(cc1)C(CC(=O)O)N AB00922 [0,1,0,0,0,0|0,0,0]=1 57 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N AB08206 [0,1,0,0,0,0|0,0,0]=1 58 B12R1.107 c1ccnc(c1)C(CC(=O)O)N AB23245 [0,1,0,0,0,0|1,0,0]=2 59 B12R1.107 c1ccnc(c1)[C@@H](CC(=O)O)N AB29680 [0,1,0,0,0,0|1,0,0]=2 60 B12R1.107 c1ccnc(c1)[C@H](CC(=O)O)N AB29681 [0,1,0,0,0,0|1,0,0]=2 61 B12R1.107 c1cnccc1C(CC(=O)O)N AB09530 [0,1,0,0,0,0|1,0,0]=2 62 B12R1.107 c1cnccc1[C@@H](CC(=O)O)N AB36081 [0,1,0,0,0,0|1,0,0]=2 63 B12R1.107 c1cnccc1[C@H](CC(=O)O)N AB17832 [0,1,0,0,0,0|1,0,0]=2 64 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br AB08440 [0,1,0,0,0,0|0,0,0]=1 65 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl AB01190 [0,1,0,0,0,0|0,0,0]=1 66 B12R1.125 c1ccc(c(c1)CCC(=O)O)F AB08452 [0,1,0,0,0,0|0,0,0]=1 67 B12R1.125 c1ccc(c(c1)CCC(=O)O)I MB00406 [0,1,0,0,0,0|0,0,0]=1 68 B12R1.125 c1ccc(c(c1)CCC(=O)O)O MB00231 [0,1,0,0,0,0|0,0,0]=1 69 B12R1.125 c1ccc(c(c1)CNC(=N)N)N AB54835 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.226 CC(=O)COc1cccc(c1)Br AB26134 [0,1,0,0,0,0|2,0,0]=3 71 B12R1.226 CC(=O)COc1cccc(c1)Cl AB26133 [0,1,0,0,0,0|2,0,0]=3 72 B12R1.226 CC(=O)COc1cccc(c1)F AB26135 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.226 CC(=O)NCc1cc(cnc1)Br AB68529 [0,1,0,0,0,0|3,0,0]=4 74 B12R1.226 CC(=O)OCc1cc(ccn1)Br AB65591 [0,1,0,0,0,0|3,0,0]=4 75 B12R1.226 Cc1cccc(c1)CCC(=O)O AB02387 [0,1,0,0,0,0|0,0,0]=1 76 B12R1.226 Cc1cccc(c1)CCC(=O)[O-] AB72171 [0,1,0,0,0,0|0,0,1]=2 77 B12R1.226 Cc1cccc(c1)OCC(=O)C AB26138 [0,1,0,0,0,0|2,0,0]=3 78 B12R1.226 c1cc(cc(c1)Br)CCC(=O)N AB64468 [0,1,0,0,0,0|1,0,0]=2 79 B12R1.226 c1cc(cc(c1)Br)CCC(=O)O AB08444 [0,1,0,0,0,0|0,0,0]=1 80 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O AB08448 [0,1,0,0,0,0|0,0,0]=1 81 B12R1.226 c1cc(cc(c1)Cl)OCC(=O)O AB01185 [0,1,0,0,0,0|1,0,0]=2 82 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O AB00370 [0,1,0,0,0,0|0,0,2]=3 83 B12R1.226 c1cc(cc(c1)F)CCC(=O)O AB08454 [0,1,0,0,0,0|0,0,0]=1 84 B12R1.226 c1cc(cc(c1)N)CNC(=N)N AB54828 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.891 CC(C)(CCc1ccccc1)N AB03652 [0,1,0,0,0,0|2,0,1]=4 86 B12R1.891 c1ccc(cc1)CCS(=O)(=O)Cl AB20716 [0,1,0,0,0,0|1,0,1]=3 87 B12R2.22 c1ccc(cc1)C2CC(=O)C2 PB26115 [0,0,0,1,0,0|1,0,0]=2 88 B12R2.22 c1ccc(cc1)C2CC(=O)N2 AB10995 [0,0,0,1,0,0|1,0,0]=2 89 B12R2.22 c1ccc(cc1)C2CC(C2)N PB19234 [0,0,0,1,0,0|2,0,1]=4 90 B12R2.22 c1ccc(cc1)N2CC(C2)O PB37862 [0,0,0,1,0,0|2,0,1]=4 91 B12R2.22 c1ccc(cc1)[C@H]2C[C@@H](C2)N PB38990 [0,0,0,1,0,0|2,0,1]=4 92 B12R2.22 c1ccc(cc1)[C@H]2C[C@H](C2)N PB38200 [0,0,0,1,0,0|2,0,1]=4 93 B12R2.24 CC1CNc2ccccc2O1 AB30912 [0,0,0,1,0,0|2,0,1]=4 94 B12R2.24 c1c2c(ncn1)CC(=O)CC2 AB61058 [0,0,0,1,0,0|3,0,0]=4 95 B12R2.24 c1c2c(ncn1)CCC(=O)C2 AB45338 [0,0,0,1,0,0|3,0,0]=4 96 B12R2.24 c1cc2c(nc1)CC(=O)NC2 AB77257 [0,0,0,1,0,0|3,0,0]=4 97 B12R2.24 c1cc2c(nc1)CCC(=O)C2 AB26260 [0,0,0,1,0,0|2,0,0]=3 98 B12R2.24 c1cc2c(nc1)NC(=O)CC2 PB12351 [0,0,0,1,0,0|2,0,0]=3 99 B12R2.24 c1cc2c(nc1)OCC(=O)C2 AB74015 [0,0,0,1,0,0|3,0,0]=4 100 B12R2.24 c1ccc2c(c1)CC(=O)NC2 AB15535 [0,0,0,1,0,0|2,0,0]=3 101 B12R2.24 c1ccc2c(c1)CCC(C2)N AB02010 [0,0,0,1,0,0|2,0,1]=4 102 B12R2.24 c1ccc2c(c1)CCN(C2)N MB00779 [0,0,0,1,0,0|3,0,0]=4 103 B12R2.24 c1ccc2c(c1)NC(=O)CO2 AB04166 [0,0,0,1,0,0|2,0,0]=3 104 B12R2.24 c1ccc2c(c1)NCC(=O)N2 AB04744 [0,0,0,1,0,0|2,0,0]=3 105 B12R2.24 c1ccc2c(c1)c[nH]c(=O)n2 MB05981 [0,0,0,1,0,0|2,0,1]=4 106 B12R2.24 c1ccc2cnc(cc2c1)O PB24595 [0,0,0,1,0,0|2,0,1]=4 107 B12R2.24 c1cncc2=CCC(=O)N=c21 AB42569 [0,0,0,1,0,0|2,0,1]=4 108 B12R2.24 c1cncc2c1CC(=O)NC2 AB64881 [0,0,0,1,0,0|3,0,0]=4 109 B12R2.24 c1cncc2c1CCC(=O)N2 MB05928 [0,0,0,1,0,0|2,0,0]=3 110 B12R2.24 c1cncc2c1CNC(=O)C2 AB68337 [0,0,0,1,0,0|3,0,0]=4 111 B12R2.24 c1cncc2c1NC(=O)CC2 MB05707 [0,0,0,1,0,0|2,0,0]=3 112 B10R1.18 B(Cc1ccccc1)(O)O AB08328 [0,0,0,0,1,0|1,0,1]=3 113 B10R1.18 CC(=O)Cc1ccccn1 AB03323 [0,0,0,0,1,0|2,0,0]=3 114 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [0,0,0,0,1,0|2,0,0]=3 115 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [0,0,0,0,1,0|2,0,0]=3 116 B10R1.18 CC(=O)Cc1ncccn1 MB07248 [0,0,0,0,1,0|3,0,0]=4 117 B10R1.18 CC(=O)Nc1ccncc1 AB06982 [0,0,0,0,1,0|3,0,0]=4 118 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [0,0,0,0,1,0|2,0,1]=4 119 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [0,0,0,0,1,0|2,0,1]=4 120 B10R1.18 c1c(cncn1)CC(=O)O PB12648 [0,0,0,0,1,0|2,0,0]=3 121 B10R1.18 c1cc(cnc1)CC(=O)O AB01106 [0,0,0,0,1,0|1,0,0]=2 122 B10R1.18 c1cc(nnc1)CC(=O)O PB14847 [0,0,0,0,1,0|2,0,0]=3 123 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [0,0,0,0,1,0|2,0,0]=3 124 B10R1.18 c1cnc(cn1)CC(=O)O PB10382 [0,0,0,0,1,0|2,0,0]=3 125 B10R1.18 c1cnc(nc1)CC(=O)O PB34087 [0,0,0,0,1,0|2,0,0]=3 126 B10R1.18 c1cncnc1CC(=O)O PB21983 [0,0,0,0,1,0|2,0,0]=3 127 B10R1.18 c1cnncc1CC(=O)O PB31426 [0,0,0,0,1,0|2,0,0]=3 128 B10R1.66 C1C=CN=C1CCC(=O)O CB11077 [0,0,0,0,1,0|1,0,1]=3 129 B10R1.66 c1cn(cn1)CCC(=O)O AB12684 [0,0,0,0,1,0|2,0,0]=3 130 B12R1.252 c1ccc(cc1)CNCC(=O)O AB04524 [0,0,0,0,0,1|0,0,0]=1 131 B12R1.252 c1ccc(cc1)COCC(=O)Cl CB10078 [0,0,0,0,0,1|1,0,0]=2 132 B12R1.252 c1ccc(cc1)COCC(=O)O CB10355 [0,0,0,0,0,1|0,0,0]=1 133 B12R1.252 c1ccc(cc1)NCCC(=O)N MB02383 [0,0,0,0,0,1|1,0,0]=2 134 B12R1.252 c1ccc(cc1)NCCC(=O)O MB00619 [0,0,0,0,0,1|0,0,0]=1 135 B12R1.252 c1ccc(cc1)OCCC(=O)O AB00261 [0,0,0,0,0,1|0,0,0]=1 136 B9R1.8 c1c(cncn1)CC=O AB57639 [2,0,0,0,0,0|2,0,0]=4 137 B9R1.8 c1cc(cnc1)CCN AB04606 [2,0,0,0,0,0|2,0,0]=4 138 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [2,0,0,0,0,0|1,0,1]=4 139 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [2,0,0,0,0,0|1,0,1]=4 140 B9R1.8 c1ccnc(c1)CC=O AB61426 [2,0,0,0,0,0|1,0,0]=3 141 B9R1.8 c1ccnc(c1)CCN AB00732 [2,0,0,0,0,0|2,0,0]=4 142 B9R1.8 c1cnc(cn1)CC=O AB57650 [2,0,0,0,0,0|2,0,0]=4 143 B9R1.8 c1cnc(nc1)CC=O AB57641 [2,0,0,0,0,0|2,0,0]=4 144 B9R1.8 c1cnccc1CCN AB01702 [2,0,0,0,0,0|2,0,0]=4 145 B9R1.8 c1cncnc1CC=O AB57648 [2,0,0,0,0,0|2,0,0]=4 146 B11R1.1 CNCCc1ccc(cc1)Br AB27732 [1,1,0,0,0,0|2,0,0]=4 147 B11R1.1 CNCCc1ccc(cc1)Cl AB27728 [1,1,0,0,0,0|2,0,0]=4 148 B11R1.1 CNCCc1ccc(cc1)F AB27731 [1,1,0,0,0,0|2,0,0]=4 149 B11R1.1 CNCCc1ccc(cc1)N AB27726 [1,1,0,0,0,0|2,0,0]=4 150 B11R1.1 Cc1ccc(cc1)CCC=O AB17667 [1,1,0,0,0,0|0,0,0]=2 151 B11R1.1 Cc1ccc(cc1)CCCN AB38682 [1,1,0,0,0,0|1,0,1]=4 152 B11R1.1 Cc1ccc(cc1)CCNC AB27715 [1,1,0,0,0,0|2,0,0]=4 153 B11R1.1 c1c(cnc(n1)Cl)CCC=O AB69266 [1,1,0,0,0,0|2,0,0]=4 154 B11R1.1 c1cc(ccc1CCC=O)Br AB42279 [1,1,0,0,0,0|0,0,0]=2 155 B11R1.1 c1cc(ccc1CCC=O)Cl AB42276 [1,1,0,0,0,0|0,0,0]=2 156 B11R1.1 c1cc(ccc1CCC=O)F AB43536 [1,1,0,0,0,0|0,0,0]=2 157 B11R1.1 c1cc(ccc1CCC=O)O AB49241 [1,1,0,0,0,0|0,0,0]=2 158 B11R1.1 c1cc(ccc1CCCN)Br AB23350 [1,1,0,0,0,0|1,0,1]=4 159 B11R1.1 c1cc(ccc1CCCN)Cl AB23351 [1,1,0,0,0,0|1,0,1]=4 160 B11R1.1 c1cc(ccc1CCCN)F AB38689 [1,1,0,0,0,0|1,0,1]=4 161 B11R1.1 c1cc(ccc1CCCN)F AB66835 [1,1,0,0,0,0|1,0,1]=4 162 B11R1.1 c1cc(ccc1CCCN)N AB51238 [1,1,0,0,0,0|1,0,1]=4 163 B11R1.1 c1cc(ccc1CCCN)O AB07598 [1,1,0,0,0,0|1,0,1]=4 164 B11R1.1 c1cc(ccc1CCCO)Br CB11205 [1,1,0,0,0,0|0,0,1]=3 165 B11R1.1 c1cc(nnc1CCC=O)Cl AB69267 [1,1,0,0,0,0|2,0,0]=4 166 B11R1.16 C[C@@H](c1ccccc1)N=C=O AB00191 [1,1,0,0,0,0|1,0,1]=4 167 B11R1.16 C[C@H](c1ccccc1)N=C=O AB02484 [1,1,0,0,0,0|1,0,1]=4 168 B11R1.16 c1ccc(cc1)C(CCO)N AB07310 [1,1,0,0,0,0|0,0,1]=3 169 B11R1.17 Cc1ccccc1CCC=O AB42260 [1,1,0,0,0,0|0,0,0]=2 170 B11R1.17 Cc1ccccc1CCCN AB38679 [1,1,0,0,0,0|1,0,1]=4 171 B11R1.17 c1ccc(c(c1)CCC=O)Br AB49228 [1,1,0,0,0,0|0,0,0]=2 172 B11R1.17 c1ccc(c(c1)CCC=O)Cl AB42271 [1,1,0,0,0,0|0,0,0]=2 173 B11R1.17 c1ccc(c(c1)CCC=O)F AB49232 [1,1,0,0,0,0|0,0,0]=2 174 B11R1.17 c1ccc(c(c1)CCCN)Br AB38695 [1,1,0,0,0,0|1,0,1]=4 175 B11R1.17 c1ccc(c(c1)CCCN)Cl AB23306 [1,1,0,0,0,0|1,0,1]=4 176 B11R1.17 c1ccc(c(c1)CCCN)F AB38684 [1,1,0,0,0,0|1,0,1]=4 177 B11R1.24 CNCCc1cccc(c1)Cl AB27739 [1,1,0,0,0,0|2,0,0]=4 178 B11R1.24 Cc1cccc(c1)CCC=O AB42263 [1,1,0,0,0,0|0,0,0]=2 179 B11R1.24 Cc1cccc(c1)CCCN AB38680 [1,1,0,0,0,0|1,0,1]=4 180 B11R1.24 Cc1cccc(c1)CCNC AB27735 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.24 c1cc(cc(c1)Br)CCC=O AB49239 [1,1,0,0,0,0|0,0,0]=2 182 B11R1.24 c1cc(cc(c1)Br)CCCN AB23346 [1,1,0,0,0,0|1,0,1]=4 183 B11R1.24 c1cc(cc(c1)Cl)CCC=O AB42275 [1,1,0,0,0,0|0,0,0]=2 184 B11R1.24 c1cc(cc(c1)Cl)CCCN AB38690 [1,1,0,0,0,0|1,0,1]=4 185 B11R1.24 c1cc(cc(c1)F)CCC=O AB43534 [1,1,0,0,0,0|0,0,0]=2 186 B11R1.24 c1cc(cc(c1)F)CCCN AB38688 [1,1,0,0,0,0|1,0,1]=4 187 B11R1.28 CNCCCc1ccccc1 AB10671 [1,1,0,0,0,0|1,0,1]=4 188 B11R1.28 c1ccc(cc1)CCCCN AB00942 [1,1,0,0,0,0|1,0,1]=4 189 B11R1.28 c1ccc(cc1)CCCCN AB13248 [1,1,0,0,0,0|1,0,1]=4 190 B11R1.28 c1ccc(cc1)COCCN AB05315 [1,1,0,0,0,0|1,0,1]=4 191 B11R1.28 c1ccc(cc1)NCCCN MB00433 [1,1,0,0,0,0|1,0,1]=4 192 B11R1.40 CC(Cc1ccccc1)CN CB11363 [1,1,0,0,0,0|1,0,1]=4 193 B11R1.40 c1ccc(cc1)CC(=O)C=O AB50241 [1,1,0,0,0,0|0,0,1]=3 194 B11R1.40 c1ccc(cc1)CC(CF)N AB14681 [1,1,0,0,0,0|1,0,1]=4 195 B11R1.40 c1ccc(cc1)CC(CN)N AB65391 [1,1,0,0,0,0|1,0,1]=4 196 B11R1.40 c1ccc(cc1)C[C@@H](CN)N AB70797 [1,1,0,0,0,0|1,0,1]=4 197 B11R1.40 c1ccc(cc1)C[C@H](CN)N AB14684 [1,1,0,0,0,0|1,0,1]=4 198 B11R1.40 c1ccc(cc1)C[C@H](CO)N AB02579 [1,1,0,0,0,0|0,0,1]=3 199 B11R1.20 CC(=O)Oc1ccc(cc1)Cl AB06566 [0,1,0,0,1,0|2,0,0]=4 200 B11R1.20 Cc1ccc(cc1)CC(=N)N AB29086 [0,1,0,0,1,0|2,0,0]=4 201 B11R1.20 Cc1ccc(cn1)CC(=O)O AB04515 [0,1,0,0,1,0|1,0,0]=3 202 B11R1.20 Cc1ccc(nc1)CC(=O)O AB55198 [0,1,0,0,1,0|1,0,0]=3 203 B11R1.20 Cc1cnc(cn1)CC(=O)O AB69910 [0,1,0,0,1,0|2,0,0]=4 204 B11R1.20 c1c(cnc(n1)CC(=O)O)Br PB16211 [0,1,0,0,1,0|2,0,0]=4 205 B11R1.20 c1c(cnc(n1)CC(=O)O)Cl AB59161 [0,1,0,0,1,0|2,0,0]=4 206 B11R1.20 c1c(cnc(n1)CC(=O)O)F AB68737 [0,1,0,0,1,0|2,0,0]=4 207 B11R1.20 c1c(ncc(n1)Cl)CC(=O)O AB69911 [0,1,0,0,1,0|2,0,0]=4 208 B11R1.20 c1cc(ccc1CC(=N)N)Br AB48908 [0,1,0,0,1,0|2,0,0]=4 209 B11R1.20 c1cc(ccc1CC(=N)N)Cl AB29080 [0,1,0,0,1,0|2,0,0]=4 210 B11R1.20 c1cc(ccc1CC(=N)N)F AB29082 [0,1,0,0,1,0|2,0,0]=4 211 B11R1.20 c1cc(ccc1CC(=O)O)Br AB00367 [0,1,0,0,1,0|0,0,0]=2 212 B11R1.20 c1cc(ncc1Br)CC(=O)O PB31471 [0,1,0,0,1,0|1,0,0]=3 213 B11R1.20 c1cc(ncc1CC(=O)O)Br AB71018 [0,1,0,0,1,0|1,0,0]=3 214 B11R1.20 c1cc(ncc1CC(=O)O)Cl AB10318 [0,1,0,0,1,0|1,0,0]=3 215 B11R1.20 c1cc(ncc1CC(=O)O)F AB55206 [0,1,0,0,1,0|1,0,0]=3 216 B11R1.20 c1cc(ncc1F)CC(=O)O AB55200 [0,1,0,0,1,0|1,0,0]=3 217 B11R1.20 c1cc(ncc1I)CC(=O)O PB21451 [0,1,0,0,1,0|1,0,0]=3 218 B11R1.36 c1cc(cnc1)C(C(=O)O)N AB06681 [0,1,0,0,1,0|1,0,0]=3 219 B11R1.36 c1cc(cnc1)C(C(=O)O)N AB12427 [0,1,0,0,1,0|1,0,0]=3 220 B11R1.36 c1cc(cnc1)[C@@H](C(=O)O)N AB30490 [0,1,0,0,1,0|1,0,0]=3 221 B11R1.36 c1cc(cnc1)[C@H](C(=O)O)N AB33298 [0,1,0,0,1,0|1,0,0]=3 222 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N AB02597 [0,1,0,0,1,0|0,0,0]=2 223 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N AB00920 [0,1,0,0,1,0|0,0,0]=2 224 B11R1.36 c1ccnc(c1)C(C(=O)O)N AB21618 [0,1,0,0,1,0|1,0,0]=3 225 B11R1.36 c1ccnc(c1)[C@@H](C(=O)O)N AB30492 [0,1,0,0,1,0|1,0,0]=3 226 B11R1.36 c1ccnc(c1)[C@H](C(=O)O)N AB33283 [0,1,0,0,1,0|1,0,0]=3 227 B11R1.36 c1cnc(cn1)C(C(=O)O)N AB21620 [0,1,0,0,1,0|2,0,0]=4 228 B11R1.36 c1cnccc1C(C(=O)O)N AB21617 [0,1,0,0,1,0|1,0,0]=3 229 B11R1.36 c1cnccc1[C@@H](C(=O)O)N AB30487 [0,1,0,0,1,0|1,0,0]=3 230 B11R1.36 c1cnccc1[C@H](C(=O)O)N AB33310 [0,1,0,0,1,0|1,0,0]=3 231 B11R1.86 CC(=O)Nc1ccccc1O AB00212 [0,1,0,0,1,0|2,0,0]=4 232 B11R1.86 c1cc(c(nc1)CC(=O)O)Br PB17731 [0,1,0,0,1,0|1,0,0]=3 233 B11R1.86 c1cc(c(nc1)CC(=O)O)F AB55219 [0,1,0,0,1,0|1,0,0]=3 234 B11R1.86 c1cc(c(nc1)Cl)CC(=O)O PB10699 [0,1,0,0,1,0|1,0,0]=3 235 B11R1.86 c1ccc(c(c1)CC(=N)N)Cl AB60879 [0,1,0,0,1,0|2,0,0]=4 236 B11R1.86 c1ccc(c(c1)CC(=O)Cl)F AB16515 [0,1,0,0,1,0|1,0,0]=3 237 B11R1.86 c1ccc(c(c1)CC(=O)N)N AB26281 [0,1,0,0,1,0|1,0,0]=3 238 B11R1.86 c1ccc(c(c1)CC(=O)O)N AB15776 [0,1,0,0,1,0|0,0,0]=2 239 B11R1.86 c1ccc(c(c1)NC(=O)N)Br CB10141 [0,1,0,0,1,0|2,0,0]=4 240 B11R1.86 c1cnc(c(n1)CC(=O)O)Cl PB36328 [0,1,0,0,1,0|2,0,0]=4 241 B11R1.157 CC(=O)Nc1cccc(c1)O AB00216 [0,1,0,0,1,0|2,0,0]=4 242 B11R1.157 Cc1cccc(c1)CC(=N)N AB49995 [0,1,0,0,1,0|2,0,0]=4 243 B11R1.157 Cc1cccc(c1)NC(=O)C AB01179 [0,1,0,0,1,0|2,0,0]=4 244 B11R1.157 Cc1ccnc(n1)CC(=O)O AB59182 [0,1,0,0,1,0|2,0,0]=4 245 B11R1.157 c1c(cncc1Br)CC(=O)O AB07359 [0,1,0,0,1,0|1,0,0]=3 246 B11R1.157 c1c(cncc1F)CC(=O)O PB22356 [0,1,0,0,1,0|1,0,0]=3 247 B11R1.157 c1cc(cc(c1)Br)CC(=N)N AB60873 [0,1,0,0,1,0|2,0,0]=4 248 B11R1.157 c1cc(cc(c1)Br)CC(=O)N AB42612 [0,1,0,0,1,0|1,0,0]=3 249 B11R1.157 c1cc(cc(c1)Br)CC(=O)O AB00359 [0,1,0,0,1,0|0,0,0]=2 250 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O AB00363 [0,1,0,0,1,0|0,0,0]=2 251 B11R1.157 c1cc(cc(c1)F)CC(=N)N AB49997 [0,1,0,0,1,0|2,0,0]=4 252 B11R1.157 c1cc(cc(c1)F)CC(=O)O AB00361 [0,1,0,0,1,0|0,0,0]=2 253 B11R1.157 c1cc(nc(c1)Br)CC(=O)O CB11432 [0,1,0,0,1,0|1,0,0]=3 254 B11R1.157 c1cc(nc(c1)F)CC(=O)O AB55215 [0,1,0,0,1,0|1,0,0]=3 255 B11R1.157 c1cnc(cc1CC(=O)O)Br AB31444 [0,1,0,0,1,0|1,0,0]=3 256 B11R1.157 c1cnc(cc1CC(=O)O)Cl AB31448 [0,1,0,0,1,0|1,0,0]=3 257 B11R1.157 c1cnc(cc1CC(=O)O)N AB31440 [0,1,0,0,1,0|1,0,0]=3 258 B11R1.157 c1cnc(nc1Br)CC(=O)O AB59073 [0,1,0,0,1,0|2,0,0]=4 259 B11R1.77 c1cc(oc1)C(CC(=O)O)N AB07979 [0,1,0,0,1,0|1,0,0]=3 260 B11R1.77 c1cc(oc1)[C@@H](CC(=O)O)N AB20746 [0,1,0,0,1,0|1,0,0]=3 261 B11R1.77 c1cc(oc1)[C@H](CC(=O)O)N AB20743 [0,1,0,0,1,0|1,0,0]=3 262 B11R1.77 c1cc(sc1)C(CC(=O)O)N AB04046 [0,1,0,0,1,0|1,0,0]=3 263 B11R1.77 c1cc(sc1)[C@@H](CC(=O)O)N AB17732 [0,1,0,0,1,0|1,0,0]=3 264 B11R1.77 c1cc(sc1)[C@H](CC(=O)O)N AB17799 [0,1,0,0,1,0|1,0,0]=3 265 B13R1.149 c1cc(cc(c1)Cl)OCCC(=O)O AB03979 [0,1,0,0,0,1|0,0,0]=2 266 B13R1.158 c1ccc(c(c1)NCCC(=O)O)Br AB52820 [0,1,0,0,0,1|0,0,0]=2 267 B13R1.158 c1ccc(c(c1)NCCC(=O)O)Cl AB07374 [0,1,0,0,0,1|0,0,0]=2 268 B13R1.158 c1ccc(c(c1)NCCC(=O)O)I AB44265 [0,1,0,0,0,1|0,0,0]=2 269 B13R1.351 C[C@H](C(=O)[O-])\N=C/c1ccccc1 AB72141 [0,1,0,0,0,1|0,0,2]=4 270 B13R1.351 c1cc(cnc1)CCC(C(=O)O)N AB21175 [0,1,0,0,0,1|1,0,0]=3 271 B13R1.351 c1cc(cnc1)CC[C@@H](C(=O)O)N AB34696 [0,1,0,0,0,1|1,0,0]=3 272 B13R1.351 c1cc(cnc1)CC[C@H](C(=O)O)N AB34692 [0,1,0,0,0,1|1,0,0]=3 273 B13R1.351 c1ccc(cc1)CCC(C(=O)O)N AB02512 [0,1,0,0,0,1|0,0,0]=2 274 B13R1.351 c1ccc(cc1)CC[C@@H](C(=O)O)N AB00246 [0,1,0,0,0,1|0,0,0]=2 275 B13R1.351 c1ccnc(c1)CCC(C(=O)O)N AB34675 [0,1,0,0,0,1|1,0,0]=3 276 B13R1.351 c1ccnc(c1)CC[C@@H](C(=O)O)N AB34679 [0,1,0,0,0,1|1,0,0]=3 277 B13R1.351 c1ccnc(c1)CC[C@H](C(=O)O)N AB34678 [0,1,0,0,0,1|1,0,0]=3 278 B13R1.351 c1cnccc1CCC(C(=O)O)N AB34710 [0,1,0,0,0,1|1,0,0]=3 279 B13R1.351 c1cnccc1CC[C@@H](C(=O)O)N AB34714 [0,1,0,0,0,1|1,0,0]=3 280 B13R1.351 c1cnccc1CC[C@H](C(=O)O)N AB34713 [0,1,0,0,0,1|1,0,0]=3 281 B13R1.513 CC(=O)OCCc1ccc(cc1)O AB51485 [0,1,0,0,0,1|1,0,0]=3 282 B13R1.513 c1cc(ccc1CCCC(=O)O)Br MB01227 [0,1,0,0,0,1|0,0,0]=2 283 B13R1.513 c1cc(ccc1NCCC(=O)O)Br AB51540 [0,1,0,0,0,1|0,0,0]=2 284 B13R1.513 c1cc(ccc1NCCC(=O)O)Cl AB07378 [0,1,0,0,0,1|0,0,0]=2 285 B13R1.513 c1cc(ccc1NCCC(=O)O)I AB52822 [0,1,0,0,0,1|0,0,0]=2 286 B13R1.718 COC(=O)COCc1ccccc1 AB63738 [0,1,0,0,0,1|0,0,0]=2 287 B13R1.718 COC(=O)NCCc1ccccc1 AB09088 [0,1,0,0,0,1|0,0,0]=2 288 B13R1.718 c1ccc(cc1)CONC(=O)CN AB24869 [0,1,0,0,0,1|2,0,0]=4 289 B13R1.3523 CC(C)(COCc1ccccc1)O AB84932 [0,1,0,0,0,1|1,0,1]=4 290 B13R1.3523 c1ccc(cc1)CCCS(=O)(=O)Cl AB28174 [0,1,0,0,0,1|1,0,1]=4 291 B13R1.3 CC(=O)COc1ccc(cc1)C#N AB26115 [0,2,0,0,0,0|2,0,0]=4 292 B13R1.3 CC(=O)COc1ccc(cc1)OC AB16833 [0,2,0,0,0,0|2,0,0]=4 293 B13R1.3 CNc1ccc(cc1)CCC(=O)O AB72168 [0,2,0,0,0,0|0,0,0]=2 294 B13R1.3 COc1ccc(cc1)CCC(=O)O AB00265 [0,2,0,0,0,0|0,0,0]=2 295 B13R1.3 c1cc(ccc1CCC(=O)O)C#N MB05759 [0,2,0,0,0,0|0,0,0]=2 296 B13R1.3 c1cc(ccc1CCC(=O)O)C=O MB05763 [0,2,0,0,0,0|0,0,0]=2 297 B13R1.3 c1cc(ccc1CCl)\C=C\C(=O)O MB09238 [0,2,0,0,0,0|0,0,2]=4 298 B13R1.3 c1cc(ccc1CO)OCC(=O)O AB02325 [0,2,0,0,0,0|1,0,0]=3 299 B13R1.3 c1cc(ccc1CO)\C=C\C(=O)O MB04671 [0,2,0,0,0,0|0,0,2]=4 300 B13R1.14 COC(=O)CCc1ccc(cc1)Br AB55324 [0,2,0,0,0,0|0,0,0]=2 301 B13R1.14 COC(=O)\C=C\c1ccc(cc1)Br AB04162 [0,2,0,0,0,0|0,0,2]=4 302 B13R1.132 Cc1ccc(cc1)C(CC(=O)O)N AB10334 [0,2,0,0,0,0|0,0,0]=2 303 B13R1.132 Cc1ccc(cc1)[C@H](CC(=O)O)N AB16419 [0,2,0,0,0,0|0,0,0]=2 304 B13R1.132 c1cc(ccc1C(CC(=O)O)N)Br AB04471 [0,2,0,0,0,0|0,0,0]=2 305 B13R1.132 c1cc(ccc1C(CC(=O)O)N)Cl AB03524 [0,2,0,0,0,0|0,0,0]=2 306 B13R1.132 c1cc(ccc1C(CC(=O)O)N)O AB04424 [0,2,0,0,0,0|0,0,0]=2 307 B13R1.132 c1cc(ccc1[C@@H](CC(=O)O)N)Br AB16414 [0,2,0,0,0,0|0,0,0]=2 308 B13R1.132 c1cc(ccc1[C@@H](CC(=O)O)N)Cl AB16416 [0,2,0,0,0,0|0,0,0]=2 309 B13R1.132 c1cc(ccc1[C@@H](CC(=O)O)N)F AB16447 [0,2,0,0,0,0|0,0,0]=2 310 B13R1.132 c1cc(ccc1[C@H](CC(=O)O)N)Br AB16442 [0,2,0,0,0,0|0,0,0]=2 311 B13R1.132 c1cc(ccc1[C@H](CC(=O)O)N)F AB16446 [0,2,0,0,0,0|0,0,0]=2 312 B13R1.132 c1cc(ccc1[C@H](CC(=O)O)N)O AB17825 [0,2,0,0,0,0|0,0,0]=2 313 B13R1.133 Cc1ccc(cc1)CC(C(=O)O)N AB21662 [0,2,0,0,0,0|0,0,0]=2 314 B13R1.133 Cc1ccc(cc1)C[C@@H](C(=O)O)N AB01742 [0,2,0,0,0,0|0,0,0]=2 315 B13R1.133 c1cc(ccc1CC(=O)C(=O)O)Br MB05635 [0,2,0,0,0,0|0,0,1]=3 316 B13R1.133 c1cc(ccc1CC(C(=O)O)N)Br AB00237 [0,2,0,0,0,0|0,0,0]=2 317 B13R1.133 c1cc(ccc1CC(C(=O)O)N)Cl AB00241 [0,2,0,0,0,0|0,0,0]=2 318 B13R1.133 c1cc(ccc1CC(C(=O)O)N)F AB00239 [0,2,0,0,0,0|0,0,0]=2 319 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Br AB02494 [0,2,0,0,0,0|0,0,0]=2 320 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Cl AB02502 [0,2,0,0,0,0|0,0,0]=2 321 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)O AB00245 [0,2,0,0,0,0|0,0,0]=2 322 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)Cl AB03058 [0,2,0,0,0,0|0,0,0]=2 323 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)F AB02498 [0,2,0,0,0,0|0,0,0]=2 324 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)O AB02505 [0,2,0,0,0,0|0,0,0]=2 325 B13R1.511 c1cc(c(cc1CCC(=O)O)Cl)Cl AB01193 [0,2,0,0,0,0|0,0,0]=2 326 B13R1.511 c1cc(c(cc1CCC(=O)O)F)F AB07245 [0,2,0,0,0,0|0,0,0]=2 327 B13R1.512 c1cc(ccc1CCS(=O)(=O)Cl)Br AB69816 [0,2,0,0,0,0|1,0,1]=4 328 B13R1.512 c1cc(ccc1CCS(=O)(=O)Cl)Cl AB20714 [0,2,0,0,0,0|1,0,1]=4 329 B13R1.512 c1cc(ccc1CCS(=O)(=O)Cl)F AB20717 [0,2,0,0,0,0|1,0,1]=4 330 B13R1.11 COC(=O)C[C@@H](c1ccccc1)N AB43040 [0,2,0,0,0,0|0,0,0]=2 331 B13R1.11 COC(=O)C[C@H](c1ccccc1)N AB43041 [0,2,0,0,0,0|0,0,0]=2 332 B13R1.15 COC(=O)CCc1cccc(c1)Cl AB18124 [0,2,0,0,0,0|0,0,0]=2 333 B13R1.42 C=CNC(=O)OCc1ccccc1 AB17881 [0,2,0,0,0,0|2,0,0]=4 334 B13R1.135 COC(=O)C(Cc1ccccc1)N AB01980 [0,2,0,0,0,0|0,0,0]=2 335 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N AB01100 [0,2,0,0,0,0|0,0,0]=2 336 B13R1.148 Cc1cccc(c1)CC(C(=O)O)N AB21660 [0,2,0,0,0,0|0,0,0]=2 337 B13R1.148 Cc1cccc(c1)C[C@@H](C(=O)O)N AB02005 [0,2,0,0,0,0|0,0,0]=2 338 B13R1.148 Cc1cccc(c1)C[C@H](C(=O)O)N AB10080 [0,2,0,0,0,0|0,0,0]=2 339 B13R1.148 c1cc(cc(c1)Br)CC(C(=O)O)N AB21654 [0,2,0,0,0,0|0,0,0]=2 340 B13R1.148 c1cc(cc(c1)Br)C[C@@H](C(=O)O)N AB25927 [0,2,0,0,0,0|0,0,0]=2 341 B13R1.148 c1cc(cc(c1)Br)C[C@H](C(=O)O)N AB25926 [0,2,0,0,0,0|0,0,0]=2 342 B13R1.148 c1cc(cc(c1)Cl)CC(C(=O)O)N AB21649 [0,2,0,0,0,0|0,0,0]=2 343 B13R1.148 c1cc(cc(c1)Cl)C[C@@H](C(=O)O)N AB08125 [0,2,0,0,0,0|0,0,0]=2 344 B13R1.148 c1cc(cc(c1)Cl)C[C@H](C(=O)O)N AB09412 [0,2,0,0,0,0|0,0,0]=2 345 B13R1.148 c1cc(cc(c1)F)CC(C(=O)O)N AB00349 [0,2,0,0,0,0|0,0,0]=2 346 B13R1.148 c1cc(cc(c1)F)C[C@@H](C(=O)O)N AB02699 [0,2,0,0,0,0|0,0,0]=2 347 B13R1.148 c1cc(cc(c1)F)C[C@H](C(=O)O)N AB02698 [0,2,0,0,0,0|0,0,0]=2 348 B13R1.148 c1cc(cc(c1)O)CC(C(=O)O)N AB00236 [0,2,0,0,0,0|0,0,0]=2 349 B13R1.148 c1cc(cc(c1)O)C[C@@H](C(=O)O)N AB02492 [0,2,0,0,0,0|0,0,0]=2 350 B13R1.148 c1cc(cc(c1)O)C[C@H](C(=O)O)N AB15920 [0,2,0,0,0,0|0,0,0]=2 351 B13R1.202 Cc1ccccc1CC(C(=O)O)N AB09956 [0,2,0,0,0,0|0,0,0]=2 352 B13R1.202 Cc1ccccc1C[C@@H](C(=O)O)N AB02002 [0,2,0,0,0,0|0,0,0]=2 353 B13R1.202 Cc1ccccc1C[C@H](C(=O)O)N AB10076 [0,2,0,0,0,0|0,0,0]=2 354 B13R1.202 c1ccc(c(c1)CC(C(=O)O)N)Br AB21653 [0,2,0,0,0,0|0,0,0]=2 355 B13R1.202 c1ccc(c(c1)CC(C(=O)O)N)Cl AB01662 [0,2,0,0,0,0|0,0,0]=2 356 B13R1.202 c1ccc(c(c1)CC(C(=O)O)N)F AB00346 [0,2,0,0,0,0|0,0,0]=2 357 B13R1.202 c1ccc(c(c1)CC(C(=O)O)N)O AB01309 [0,2,0,0,0,0|0,0,0]=2 358 B13R1.202 c1ccc(c(c1)C[C@@H](C(=O)O)N)Br AB13181 [0,2,0,0,0,0|0,0,0]=2 359 B13R1.202 c1ccc(c(c1)C[C@@H](C(=O)O)N)F AB02697 [0,2,0,0,0,0|0,0,0]=2 360 B13R1.202 c1ccc(c(c1)C[C@@H](C(=O)O)N)O AB09421 [0,2,0,0,0,0|0,0,0]=2 361 B13R1.202 c1ccc(c(c1)C[C@H](C(=O)O)N)Br AB13184 [0,2,0,0,0,0|0,0,0]=2 362 B13R1.202 c1ccc(c(c1)C[C@H](C(=O)O)N)Cl AB02989 [0,2,0,0,0,0|0,0,0]=2 363 B13R1.202 c1ccc(c(c1)C[C@H](C(=O)O)N)F AB02696 [0,2,0,0,0,0|0,0,0]=2 364 B13R1.202 c1ccc(c(c1)C[C@H](C(=O)O)N)O AB21388 [0,2,0,0,0,0|0,0,0]=2 365 B13R1.418 c1cc(cnc1)CC(CN)C(=O)O AB35610 [0,2,0,0,0,0|1,0,0]=3 366 B13R1.418 c1cc(cnc1)C[C@@H](CN)C(=O)O AB35614 [0,2,0,0,0,0|1,0,0]=3 367 B13R1.418 c1cc(cnc1)C[C@H](CN)C(=O)O AB35615 [0,2,0,0,0,0|1,0,0]=3 368 B13R1.418 c1ccc(cc1)CC(CN)C(=O)O AB09206 [0,2,0,0,0,0|0,0,0]=2 369 B13R1.418 c1ccc(cc1)C[C@@H](CN)C(=O)O AB34723 [0,2,0,0,0,0|0,0,0]=2 370 B13R1.418 c1ccc(cc1)C[C@H](CN)C(=O)O AB34725 [0,2,0,0,0,0|0,0,0]=2 371 B13R1.418 c1ccnc(c1)CC(CN)C(=O)O AB35593 [0,2,0,0,0,0|1,0,0]=3 372 B13R1.418 c1ccnc(c1)C[C@@H](CN)C(=O)O AB35595 [0,2,0,0,0,0|1,0,0]=3 373 B13R1.418 c1ccnc(c1)C[C@H](CN)C(=O)O AB35597 [0,2,0,0,0,0|1,0,0]=3 374 B13R1.418 c1cnccc1CC(CN)C(=O)O AB35629 [0,2,0,0,0,0|1,0,0]=3 375 B13R1.418 c1cnccc1C[C@@H](CN)C(=O)O AB35633 [0,2,0,0,0,0|1,0,0]=3 376 B13R1.418 c1cnccc1C[C@H](CN)C(=O)O AB35635 [0,2,0,0,0,0|1,0,0]=3 377 B13R1.1073 CC(Cc1ccccc1)(C(=O)O)N AB01038 [0,2,0,0,0,0|0,0,0]=2 378 B13R1.1073 C[C@@](Cc1ccccc1)(C(=O)O)N AB04114 [0,2,0,0,0,0|0,0,0]=2 379 B13R1.1073 C[C@](Cc1ccccc1)(C(=O)O)N AB03937 [0,2,0,0,0,0|0,0,0]=2 380 B13R1.147 Cc1cccc(c1)C(CC(=O)O)N AB10462 [0,2,0,0,0,0|0,0,0]=2 381 B13R1.147 Cc1cccc(c1)[C@@H](CC(=O)O)N AB17753 [0,2,0,0,0,0|0,0,0]=2 382 B13R1.147 Cc1cccc(c1)[C@H](CC(=O)O)N AB17818 [0,2,0,0,0,0|0,0,0]=2 383 B13R1.147 c1cc(cc(c1)Br)C(CC(=O)O)N AB07928 [0,2,0,0,0,0|0,0,0]=2 384 B13R1.147 c1cc(cc(c1)Br)[C@@H](CC(=O)O)N AB17739 [0,2,0,0,0,0|0,0,0]=2 385 B13R1.147 c1cc(cc(c1)Cl)C(CC(=O)O)N AB06139 [0,2,0,0,0,0|0,0,0]=2 386 B13R1.147 c1cc(cc(c1)Cl)[C@@H](CC(=O)O)N AB17741 [0,2,0,0,0,0|0,0,0]=2 387 B13R1.147 c1cc(cc(c1)Cl)[C@H](CC(=O)O)N AB17809 [0,2,0,0,0,0|0,0,0]=2 388 B13R1.147 c1cc(cc(c1)F)C(CC(=O)O)N AB07051 [0,2,0,0,0,0|0,0,0]=2 389 B13R1.147 c1cc(cc(c1)F)[C@@H](CC(=O)O)N AB17745 [0,2,0,0,0,0|0,0,0]=2 390 B13R1.147 c1cc(cc(c1)F)[C@H](CC(=O)O)N AB17811 [0,2,0,0,0,0|0,0,0]=2 391 B13R1.147 c1cc(cc(c1)O)C(CC(=O)O)N AB10454 [0,2,0,0,0,0|0,0,0]=2 392 B13R1.147 c1cc(cc(c1)O)[C@@H](CC(=O)O)N AB17749 [0,2,0,0,0,0|0,0,0]=2 393 B13R1.147 c1cc(cc(c1)O)[C@H](CC(=O)O)N AB17812 [0,2,0,0,0,0|0,0,0]=2 394 B13R1.201 Cc1ccccc1C(CC(=O)O)N AB10460 [0,2,0,0,0,0|0,0,0]=2 395 B13R1.201 Cc1ccccc1[C@@H](CC(=O)O)N AB17728 [0,2,0,0,0,0|0,0,0]=2 396 B13R1.201 Cc1ccccc1[C@H](CC(=O)O)N AB17794 [0,2,0,0,0,0|0,0,0]=2 397 B13R1.201 c1ccc(c(c1)C(CC(=O)O)N)Br AB10446 [0,2,0,0,0,0|0,0,0]=2 398 B13R1.201 c1ccc(c(c1)C(CC(=O)O)N)Cl AB10448 [0,2,0,0,0,0|0,0,0]=2 399 B13R1.201 c1ccc(c(c1)C(CC(=O)O)N)F AB04657 [0,2,0,0,0,0|0,0,0]=2 400 B13R1.201 c1ccc(c(c1)C(CC(=O)O)N)O AB06619 [0,2,0,0,0,0|0,0,0]=2 401 B13R1.201 c1ccc(c(c1)[C@@H](CC(=O)O)N)Br AB17714 [0,2,0,0,0,0|0,0,0]=2 402 B13R1.201 c1ccc(c(c1)[C@@H](CC(=O)O)N)Cl AB17716 [0,2,0,0,0,0|0,0,0]=2 403 B13R1.201 c1ccc(c(c1)[C@@H](CC(=O)O)N)F AB17720 [0,2,0,0,0,0|0,0,0]=2 404 B13R1.201 c1ccc(c(c1)[C@@H](CC(=O)O)N)O AB17722 [0,2,0,0,0,0|0,0,0]=2 405 B13R1.201 c1ccc(c(c1)[C@H](CC(=O)O)N)Br AB17778 [0,2,0,0,0,0|0,0,0]=2 406 B13R1.201 c1ccc(c(c1)[C@H](CC(=O)O)N)Cl AB17779 [0,2,0,0,0,0|0,0,0]=2 407 B13R1.201 c1ccc(c(c1)[C@H](CC(=O)O)N)F AB17783 [0,2,0,0,0,0|0,0,0]=2 408 B13R1.201 c1ccc(c(c1)[C@H](CC(=O)O)N)O AB17787 [0,2,0,0,0,0|0,0,0]=2 409 B13R1.90 COc1ccccc1CCC(=O)O AB00262 [0,2,0,0,0,0|0,0,0]=2 410 B13R1.90 c1ccc(c(c1)CCC(=O)O)C=O MB05783 [0,2,0,0,0,0|0,0,0]=2 411 B13R1.150 c1cc(c(c(c1)Cl)Cl)CCC(=O)O AB30477 [0,2,0,0,0,0|0,0,0]=2 412 B13R1.150 c1cc(c(c(c1)F)F)CCC(=O)O AB20651 [0,2,0,0,0,0|0,0,0]=2 413 B13R1.643 CC(=O)COc1cccc(c1)C#N AB26142 [0,2,0,0,0,0|2,0,0]=4 414 B13R1.643 CC(=O)COc1cccc(c1)OC AB26139 [0,2,0,0,0,0|2,0,0]=4 415 B13R1.643 COc1cc(ccn1)CCC(=O)O AB61449 [0,2,0,0,0,0|1,0,0]=3 416 B13R1.643 COc1cccc(c1)CCC(=O)O AB01136 [0,2,0,0,0,0|0,0,0]=2 417 B13R1.643 COc1cccc(c1)CCC(=O)[O-] AB72173 [0,2,0,0,0,0|0,0,1]=3 418 B13R1.643 COc1cccc(n1)CCC(=O)O AB61453 [0,2,0,0,0,0|1,0,0]=3 419 B13R1.643 c1cc(cc(c1)C#N)CCC(=O)O MB05208 [0,2,0,0,0,0|0,0,0]=2 420 B13R1.643 c1cc(cc(c1)C=O)CCC(=O)O MB05769 [0,2,0,0,0,0|0,0,0]=2 421 B13R1.838 c1cc(cc(c1)Br)CCS(=O)(=O)Cl AB69813 [0,2,0,0,0,0|1,0,1]=4 422 B13R1.838 c1cc(cc(c1)Cl)CCS(=O)(=O)Cl AB20710 [0,2,0,0,0,0|1,0,1]=4 423 B13R1.3420 Cc1cc(cc(c1)CCC(=O)O)C MB06914 [0,2,0,0,0,0|0,0,0]=2 424 B11R2.1 B1(c2ccccc2CO1)O AB08148 [1,0,0,1,0,0|2,0,0]=4 425 B11R2.1 CN1CCc2c1cccc2 MB02030 [1,0,0,1,0,0|2,0,0]=4 426 B11R2.1 c1cc2c(nc1)C(=O)OC2 AB66596 [1,0,0,1,0,0|2,0,0]=4 427 B11R2.1 c1cc2c(nc1)CCC2=O PB12461 [1,0,0,1,0,0|1,0,0]=3 428 B11R2.1 c1cc2c(nc1)OCC2=O AB70107 [1,0,0,1,0,0|2,0,0]=4 429 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [1,0,0,1,0,0|1,0,0]=3 430 B11R2.1 c1ccc2c(c1)C(=O)N=N2 MB00163 [1,0,0,1,0,0|2,0,0]=4 431 B11R2.1 c1ccc2c(c1)CCC2N AB00328 [1,0,0,1,0,0|1,0,1]=4 432 B11R2.1 c1ccc2c(c1)CCN2N MB03088 [1,0,0,1,0,0|2,0,0]=4 433 B11R2.1 c1ccc2c(c1)CC[C@@H]2N AB04896 [1,0,0,1,0,0|1,0,1]=4 434 B11R2.1 c1ccc2c(c1)CC[C@H]2N AB04893 [1,0,0,1,0,0|1,0,1]=4 435 B11R2.1 c1ccc2c(c1)CNC2=O AB13096 [1,0,0,1,0,0|1,0,0]=3 436 B11R2.1 c1cncc2c1C(=O)NC2 AB66595 [1,0,0,1,0,0|2,0,0]=4 437 B11R2.1 c1cncc2c1CNC2=O PB33122 [1,0,0,1,0,0|2,0,0]=4 438 B11R2.4 c1ccc(cc1)C2CC2N AB00325 [1,0,0,1,0,0|1,0,1]=4 439 B11R2.20 c1ccc2c(c1)CCN=C2 AB01545 [1,0,0,1,0,0|2,0,0]=4 440 B11R2.20 c1ccc2c(c1)NCCO2 MB02357 [1,0,0,1,0,0|1,0,1]=4 441 B11R2.10 c1cc2c(nc1)CC(=O)N2 PB29192 [0,0,0,1,1,0|2,0,0]=4 442 B11R2.10 c1cc2c(nc1)NC(=O)C2 PB29419 [0,0,0,1,1,0|2,0,0]=4 443 B11R2.10 c1ccc2c(c1)CC(=O)N2 AB00523 [0,0,0,1,1,0|1,0,0]=3 444 B11R2.10 c1ccc2c(c1)cc(o2)Br MB02457 [0,0,0,1,1,0|1,0,1]=4 445 B11R2.10 c1ccc2c(c1)nc(o2)Cl AB00524 [0,0,0,1,1,0|2,0,0]=4 446 B11R2.10 c1cncc2c1CC(=O)N2 PB19637 [0,0,0,1,1,0|2,0,0]=4 447 B11R2.10 c1cncc2c1NC(=O)C2 PB17659 [0,0,0,1,1,0|2,0,0]=4 448 B13R2.10 c1ccc(cc1)C2=NC(=NC2)O AB53088 [0,0,0,1,0,1|1,0,1]=4 449 B13R2.10 c1ccc(cc1)C2CC(=O)NC2 AB09758 [0,0,0,1,0,1|1,0,0]=3 450 B13R2.10 c1ccc(cc1)C2CCC(=O)C2 AB03360 [0,0,0,1,0,1|1,0,0]=3 451 B13R2.10 c1ccc(cc1)[C@@H]2COC(=S)N2 CB10902 [0,0,0,1,0,1|1,1,0]=4 452 B13R2.31 c1ccc(cc1)CN2CC(C2)O PB10180 [0,0,0,1,0,1|1,0,1]=4 453 B13R2.72 CC(=O)C1=c2ccccc2=NC1 AB00460 [0,0,0,1,0,1|1,0,1]=4 454 B13R2.72 c1ccc2c(c1)C(CN2)C(=O)O AB16477 [0,0,0,1,0,1|0,0,0]=2 455 B13R2.72 c1ccc2c(c1)C(CO2)C(=O)O AB45862 [0,0,0,1,0,1|0,0,0]=2 456 B13R2.72 c1ccc2c(c1)CCC2C(=O)O AB01304 [0,0,0,1,0,1|0,0,0]=2 457 B13R2.72 c1ccc2c(c1)CNC2C(=O)O AB08706 [0,0,0,1,0,1|0,0,0]=2 458 B13R2.72 c1ccc2c(c1)c(co2)C(=O)O AB07951 [0,0,0,1,0,1|0,0,2]=4 459 B13R2.72 c1ccc2c(c1)c(no2)C(=O)O AB26306 [0,0,0,1,0,1|1,0,1]=4 460 B13R2.72 c1ccc2c(c1)c(ns2)C(=O)O AB09662 [0,0,0,1,0,1|1,0,1]=4 461 B13R2.163 c1ccc2c(c1)CCNC(=O)C2 MB01179 [0,0,0,1,0,1|1,0,0]=3 462 B13R2.163 c1ccc2c(c1)CCNC(=O)N2 AB65832 [0,0,0,1,0,1|1,0,0]=3 463 B13R2.423 B(C1CC1c2ccccc2)(O)O AB14743 [0,0,0,1,0,1|1,0,1]=4 464 B13R2.423 B([C@H]1C[C@@H]1c2ccccc2)(O)O AB29955 [0,0,0,1,0,1|1,0,1]=4 465 B13R2.147 c1cc(ccc1C2CC(=O)C2)Br PB24838 [0,1,0,1,0,0|1,0,0]=3 466 B13R2.155 Cc1cc2c(nc1)CCC(=O)C2 AB61018 [0,1,0,1,0,0|2,0,0]=4 467 B13R2.155 Cc1ccc2c(c1)NC(=O)CO2 AB09061 [0,1,0,1,0,0|2,0,0]=4 468 B13R2.155 Cc1ccc2c(n1)NC(=O)CC2 AB70359 [0,1,0,1,0,0|2,0,0]=4 469 B13R2.155 c1c(cnc2c1CC(=O)CC2)Br AB69367 [0,1,0,1,0,0|2,0,0]=4 470 B13R2.155 c1c(cnc2c1CC(=O)CC2)Cl AB61013 [0,1,0,1,0,0|2,0,0]=4 471 B13R2.155 c1c(cnc2c1CC(=O)CC2)F AB68743 [0,1,0,1,0,0|2,0,0]=4 472 B13R2.155 c1cc2c(cc1Br)CC(=O)CC2 AB17100 [0,1,0,1,0,0|1,0,0]=3 473 B13R2.155 c1cc2c(cc1Br)CC(=O)CO2 AB56614 [0,1,0,1,0,0|2,0,0]=4 474 B13R2.155 c1cc2c(cc1Br)NC(=O)CO2 AB06108 [0,1,0,1,0,0|2,0,0]=4 475 B13R2.155 c1cc2c(cc1Cl)CC(=O)CC2 AB17122 [0,1,0,1,0,0|1,0,0]=3 476 B13R2.155 c1cc2c(cc1Cl)CC(=O)CO2 AB56616 [0,1,0,1,0,0|2,0,0]=4 477 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 AB04397 [0,1,0,1,0,0|2,0,0]=4 478 B13R2.155 c1cc2c(cc1F)CC(=O)CC2 AB17129 [0,1,0,1,0,0|1,0,0]=3 479 B13R2.155 c1cc2c(cc1F)CC(=O)CO2 AB56620 [0,1,0,1,0,0|2,0,0]=4 480 B13R2.155 c1cc2c(cc1F)NC(=O)CO2 AB14546 [0,1,0,1,0,0|2,0,0]=4 481 B13R2.155 c1cc2c(cc1I)NC(=O)CO2 MB04727 [0,1,0,1,0,0|2,0,0]=4 482 B13R2.155 c1cc2c(cc1N)CC(=O)CC2 AB21791 [0,1,0,1,0,0|1,0,0]=3 483 B13R2.155 c1cc2c(cc1N)NC(=O)CC2 MB04272 [0,1,0,1,0,0|1,0,0]=3 484 B13R2.155 c1cc2c(cc1O)CC(=O)CC2 AB17138 [0,1,0,1,0,0|1,0,0]=3 485 B13R2.155 c1cc2c(cc1O)NC(=O)CC2 AB25068 [0,1,0,1,0,0|1,0,0]=3 486 B13R2.155 c1cc2c(cc1O)NC(=O)CO2 AB64531 [0,1,0,1,0,0|2,0,0]=4 487 B13R2.32 c1ccc2c(c1)CCC(C2O)Br MB00774 [0,1,0,1,0,0|1,0,1]=4 488 B13R2.57 c1ccc2c(c1)C=C(CO2)C=O AB09669 [0,1,0,1,0,0|2,0,0]=4 489 B13R2.57 c1ccc2c(c1)CCC(O2)CN AB60224 [0,1,0,1,0,0|1,0,1]=4 490 B13R2.57 c1ccc2c(c1)OCC(O2)C=O AB11943 [0,1,0,1,0,0|1,0,1]=4 491 B13R2.369 CC1C(=O)Nc2ccccc2N1 PB10143 [0,1,0,1,0,0|2,0,0]=4 492 B13R2.369 CC1Cc2ccccc2NC1=O MB08929 [0,1,0,1,0,0|1,0,0]=3 493 B13R2.369 Cc1c(=O)oc2ccccc2n1 AB09692 [0,1,0,1,0,0|1,0,1]=4 494 B13R2.369 c1ccc2=NC(=O)C(C=c2c1)Br MB06803 [0,1,0,1,0,0|1,0,1]=4 495 B13R2.369 c1ccc2=NC(=O)C(N=c2c1)Cl PB24182 [0,1,0,1,0,0|2,0,0]=4 496 B13R2.369 c1ccc2=NC(=O)C(N=c2c1)N PB34919 [0,1,0,1,0,0|2,0,0]=4 497 B13R2.435 c1ccc2c(c1)CC(O2)C(=O)O AB13115 [0,1,0,1,0,0|0,0,0]=2 498 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)O AB00533 [0,1,0,1,0,0|0,0,2]=4 499 B13R2.435 c1ccc2c(c1)nc(o2)C(=O)O AB28059 [0,1,0,1,0,0|1,0,1]=4 500 B13R2.435 c1ccc2c(c1)nc(s2)C(=O)O PB19998 [0,1,0,1,0,0|1,0,1]=4 501 B13R2.328 CC1CC(=O)Nc2c1cccc2 MB08925 [0,1,0,1,0,0|1,0,0]=3 502 B13R2.328 CN1CC(=O)Nc2c1cccc2 MB12301 [0,1,0,1,0,0|2,0,0]=4 503 B13R2.328 c1ccc2=NC(=O)CC(=c2c1)Cl MB03587 [0,1,0,1,0,0|1,0,1]=4 504 B13R2.328 c1ccc2=NC(=O)CC(=c2c1)N MB03581 [0,1,0,1,0,0|1,0,1]=4 505 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)N MB00371 [0,1,0,1,0,0|0,0,2]=4 506 B13R2.5179 Cc1cccc2c1OCC(=O)N2 AB53068 [0,1,0,1,0,0|2,0,0]=4 507 B13R2.5179 c1cc(c2c(c1)NC(=O)CO2)N MB08392 [0,1,0,1,0,0|2,0,0]=4 508 B13R2.5179 c1cc2c(c(c1)Br)CCC(=O)C2 AB17098 [0,1,0,1,0,0|1,0,0]=3 509 B13R2.5179 c1cc2c(c(c1)Br)OCC(=O)N2 AB50082 [0,1,0,1,0,0|2,0,0]=4 510 B13R2.5179 c1cc2c(c(c1)Cl)CCC(=O)C2 AB17118 [0,1,0,1,0,0|1,0,0]=3 511 B13R2.5179 c1cc2c(c(c1)Cl)OCC(=O)N2 AB43540 [0,1,0,1,0,0|2,0,0]=4 512 B13R2.5179 c1cc2c(c(c1)F)CCC(=O)C2 AB17125 [0,1,0,1,0,0|1,0,0]=3 513 B13R2.5179 c1cc2c(c(c1)F)OCC(=O)N2 AB53069 [0,1,0,1,0,0|2,0,0]=4 514 B13R2.5179 c1cc2c(c(c1)O)CCC(=O)C2 MB03115 [0,1,0,1,0,0|1,0,0]=3 515 B13R2.5179 c1cc2c(c(c1)O)OCC(=O)N2 AB65028 [0,1,0,1,0,0|2,0,0]=4 516 B13R2.5179 c1cnc(c2c1NC(=O)CC2)Cl AB73018 [0,1,0,1,0,0|2,0,0]=4 517 B13R2.162 Cc1cccc2c1NC(=O)CC2 MB01240 [0,1,0,1,0,0|1,0,0]=3 518 B13R2.162 Cc1cccc2c1NC(=O)CO2 AB65924 [0,1,0,1,0,0|2,0,0]=4 519 B13R2.162 c1c2c(c(cn1)Br)NC(=O)CC2 CB11082 [0,1,0,1,0,0|2,0,0]=4 520 B13R2.162 c1cc(c2c(c1)OCC(=O)N2)N MB09230 [0,1,0,1,0,0|2,0,0]=4 521 B13R2.162 c1cc(c2c(c1)OCC(=O)N2)O MB08401 [0,1,0,1,0,0|2,0,0]=4 522 B13R2.162 c1cc2c(c(c1)Br)CC(=O)CC2 AB13241 [0,1,0,1,0,0|1,0,0]=3 523 B13R2.162 c1cc2c(c(c1)Br)NC(=O)CO2 AB72665 [0,1,0,1,0,0|2,0,0]=4 524 B13R2.162 c1cc2c(c(c1)Cl)CC(=O)CC2 AB17123 [0,1,0,1,0,0|1,0,0]=3 525 B13R2.162 c1cc2c(c(c1)Cl)NC(=O)CO2 AB65030 [0,1,0,1,0,0|2,0,0]=4 526 B13R2.162 c1cc2c(c(c1)F)CC(=O)CC2 AB17130 [0,1,0,1,0,0|1,0,0]=3 527 B13R2.162 c1cc2c(c(c1)O)NC(=O)CC2 AB22449 [0,1,0,1,0,0|1,0,0]=3 528 B13R2.3683 Cc1ccc2=NC(=O)CC=c2c1 AB43959 [0,1,0,1,0,0|1,0,1]=4 529 B13R2.3683 Cc1ccc2c(c1)OCC(=O)C2 AB56631 [0,1,0,1,0,0|2,0,0]=4 530 B13R2.3683 Cc1ccc2c(c1)OCC(=O)N2 AB12998 [0,1,0,1,0,0|2,0,0]=4 531 B13R2.3683 Cc1ccc2c(n1)CCC(=O)C2 AB61021 [0,1,0,1,0,0|2,0,0]=4 532 B13R2.3683 c1c(cnc2c1CCC(=O)N2)Br AB22237 [0,1,0,1,0,0|2,0,0]=4 533 B13R2.3683 c1cc(nc2c1CC(=O)CC2)Br AB74009 [0,1,0,1,0,0|2,0,0]=4 534 B13R2.3683 c1cc(nc2c1CC(=O)CC2)Cl AB74006 [0,1,0,1,0,0|2,0,0]=4 535 B13R2.3683 c1cc(nc2c1CC(=O)CC2)N AB74012 [0,1,0,1,0,0|2,0,0]=4 536 B13R2.3683 c1cc(nc2c1CC(=O)CC2)O AB61025 [0,1,0,1,0,0|2,0,0]=4 537 B13R2.3683 c1cc2=NC(=O)CC=c2cc1Cl MB02518 [0,1,0,1,0,0|1,0,1]=4 538 B13R2.3683 c1cc2=NC(=O)CC=c2cc1F AB43955 [0,1,0,1,0,0|1,0,1]=4 539 B13R2.3683 c1cc2=NC(=O)CC=c2cc1N MB01653 [0,1,0,1,0,0|1,0,1]=4 540 B13R2.3683 c1cc2=NC(=O)CC=c2cc1O AB16464 [0,1,0,1,0,0|1,0,1]=4 541 B13R2.3683 c1cc2c(cc1Br)CCC(=O)C2 AB05455 [0,1,0,1,0,0|1,0,0]=3 542 B13R2.3683 c1cc2c(cc1Br)CCC(=S)N2 AB43954 [0,1,0,1,0,0|1,1,0]=4 543 B13R2.3683 c1cc2c(cc1Br)OCC(=O)C2 AB56634 [0,1,0,1,0,0|2,0,0]=4 544 B13R2.3683 c1cc2c(cc1Br)OCC(=O)N2 AB42341 [0,1,0,1,0,0|2,0,0]=4 545 B13R2.3683 c1cc2c(cc1Cl)CCC(=O)C2 AB16018 [0,1,0,1,0,0|1,0,0]=3 546 B13R2.3683 c1cc2c(cc1Cl)OCC(=O)C2 AB56636 [0,1,0,1,0,0|2,0,0]=4 547 B13R2.3683 c1cc2c(cc1Cl)OCC(=O)N2 AB12999 [0,1,0,1,0,0|2,0,0]=4 548 B13R2.3683 c1cc2c(cc1F)CCC(=O)C2 AB12639 [0,1,0,1,0,0|1,0,0]=3 549 B13R2.3683 c1cc2c(cc1F)CCC(C2)O AB19247 [0,1,0,1,0,0|1,0,1]=4 550 B13R2.3683 c1cc2c(cc1F)OCC(=O)C2 AB56639 [0,1,0,1,0,0|2,0,0]=4 551 B13R2.3683 c1cc2c(cc1F)OCC(=O)N2 AB42343 [0,1,0,1,0,0|2,0,0]=4 552 B13R2.3683 c1cc2c(cc1I)OCC(=O)N2 MB04728 [0,1,0,1,0,0|2,0,0]=4 553 B13R2.3683 c1cc2c(cc1N)CCC(=O)N2 AB06458 [0,1,0,1,0,0|1,0,0]=3 554 B13R2.3683 c1cc2c(cc1N)OCC(=O)N2 MB02829 [0,1,0,1,0,0|2,0,0]=4 555 B13R2.3683 c1cc2c(cc1O)CCC(=O)C2 MB03486 [0,1,0,1,0,0|1,0,0]=3 556 B13R2.3683 c1cc2c(cc1O)OCC(=O)N2 MB11352 [0,1,0,1,0,0|2,0,0]=4 557 B9R1.6 CC(=O)c1ccccn1 AB00686 [0,0,0,0,2,0|2,0,0]=4 558 B9R1.6 CC(=O)c1cccnc1 AB00750 [0,0,0,0,2,0|2,0,0]=4 559 B9R1.6 CC(=O)c1ccncc1 AB00760 [0,0,0,0,2,0|2,0,0]=4 560 B9R1.6 c1c(cncn1)C(=O)O PB23195 [0,0,0,0,2,0|2,0,0]=4 561 B9R1.6 c1cc(nnc1)C(=O)O PB21767 [0,0,0,0,2,0|2,0,0]=4 562 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [0,0,0,0,2,0|2,0,0]=4 563 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [0,0,0,0,2,0|1,0,0]=3 564 B9R1.6 c1cnc(cn1)C(=O)O PB27363 [0,0,0,0,2,0|2,0,0]=4 565 B9R1.6 c1cnc(nc1)C(=O)O PB18516 [0,0,0,0,2,0|2,0,0]=4 566 B9R1.6 c1cnccc1C(=O)O AB00757 [0,0,0,0,2,0|1,0,0]=3 567 B9R1.6 c1cncnc1C(=O)O PB29023 [0,0,0,0,2,0|2,0,0]=4 568 B9R1.6 c1cnncc1C(=O)O PB17054 [0,0,0,0,2,0|2,0,0]=4 569 B9R1.13 c1cc(sc1)CC(=O)O PB27359 [0,0,0,0,2,0|1,0,0]=3 570 B9R1.13 c1cn(cn1)CC(=O)O AB09874 [0,0,0,0,2,0|2,0,0]=4 571 B9R1.13 c1csc(n1)CC(=O)O PB23269 [0,0,0,0,2,0|2,0,0]=4 572 B9R1.13 c1cscc1CC(=O)O PB28939 [0,0,0,0,2,0|1,0,0]=3 573 B13R1.337 c1ccc(cc1)NCCCC(=O)O AB55233 [0,0,0,0,0,2|0,0,0]=2