0 B12R1.43 C[C@@H](C(=O)Nc1ccccc1)O AB72181 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.43 c1ccc(cc1)CC(C(=O)O)N AB02573 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N AB02575 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Br AB04813 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N AB00345 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.40 COC(=N)Cc1ccccc1 AB01554 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.40 c1ccc(cc1)CC(=O)C=O AB50241 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.91 B(\C=C\c1ccccc1)(O)O AB07818 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.91 CC(=O)OCc1cccnc1 AB49310 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [1,0,0,0,0,0|0,0,0]=1 10 B13R1.133 c1cc(ccc1CC(=O)C(=O)O)Br MB05635 [0,1,0,0,0,0|2,0,1]=4 11 B13R1.135 COC(=O)C(Cc1ccccc1)N AB01980 [0,1,0,0,0,0|1,0,2]=4 12 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N AB01100 [0,1,0,0,0,0|1,0,2]=4 13 B13R1.418 c1ccc(cc1)CC(CN)C(=O)O AB09206 [0,1,0,0,0,0|1,0,2]=4 14 B13R1.418 c1ccc(cc1)C[C@@H](CN)C(=O)O AB34723 [0,1,0,0,0,0|1,0,2]=4 15 B13R1.418 c1ccc(cc1)C[C@H](CN)C(=O)O AB34725 [0,1,0,0,0,0|1,0,2]=4 16 B13R1.1073 CC(Cc1ccccc1)(C(=O)O)N AB01038 [0,1,0,0,0,0|1,0,2]=4 17 B13R1.1073 C[C@@](Cc1ccccc1)(C(=O)O)N AB04114 [0,1,0,0,0,0|1,0,2]=4 18 B13R1.1073 C[C@](Cc1ccccc1)(C(=O)O)N AB03937 [0,1,0,0,0,0|1,0,2]=4 19 B13R2.369 CC1C(=O)Nc2ccccc2N1 PB10143 [0,0,0,1,0,0|2,0,1]=4 20 B13R2.369 CC1Cc2ccccc2NC1=O MB08929 [0,0,0,1,0,0|1,0,2]=4 21 B13R2.369 Cc1c(=O)oc2ccccc2n1 AB09692 [0,0,0,1,0,0|2,0,0]=3 22 B13R2.369 Cc1cc2ccccc2nc1N AB05768 [0,0,0,1,0,0|2,0,0]=3 23 B13R2.369 c1ccc2=NC(=O)C(=O)N=c2c1 AB06251 [0,0,0,1,0,0|3,0,0]=4 24 B13R2.369 c1ccc2=NC(=O)C(C=c2c1)Br MB06803 [0,0,0,1,0,0|2,0,1]=4 25 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)Br PB24640 [0,0,0,1,0,0|3,0,0]=4 26 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Br PB20265 [0,0,0,1,0,0|3,0,0]=4 27 B13R2.369 c1ccc2cc(c(cc2c1)Br)Br PB10042 [0,0,0,1,0,0|2,0,1]=4 28 B13R2.369 c1ccc2cc(c(cc2c1)Br)I CB10892 [0,0,0,1,0,0|2,0,1]=4 29 B13R2.435 C1=CC2C=C(N=C2C=C1)C(=O)O AB00454 [0,0,0,1,0,0|2,0,1]=4 30 B13R2.435 CC(=O)C1=NC2=C(=C1)C=CC=C2 AB10369 [0,0,0,1,0,0|1,0,1]=3 31 B13R2.435 c1cc2c(cc(s2)C(=O)O)nc1 PB10995 [0,0,0,1,0,0|3,0,0]=4 32 B13R2.435 c1cc2cc(sc2nc1)C(=O)O PB30897 [0,0,0,1,0,0|3,0,0]=4 33 B13R2.435 c1ccc2c(c1)CC(O2)C(=O)O AB13115 [0,0,0,1,0,0|2,0,1]=4 34 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)O AB00533 [0,0,0,1,0,0|2,0,0]=3 35 B13R2.435 c1ccc2c(c1)nc(o2)C(=O)O AB28059 [0,0,0,1,0,0|3,0,0]=4 36 B13R2.435 c1ccc2c(c1)nc(s2)C(=O)O PB19998 [0,0,0,1,0,0|3,0,0]=4 37 B13R2.435 c1ccn2c(c1)cc(n2)C(=O)N AB19632 [0,0,0,1,0,0|3,0,0]=4 38 B13R2.435 c1ccn2c(c1)cc(n2)C(=O)O AB28488 [0,0,0,1,0,0|3,0,0]=4 39 B13R2.435 c1ccn2cc(cc2c1)C(=O)O AB05495 [0,0,0,1,0,0|2,0,1]=4 40 B13R2.435 c1ccn2cc(nc2c1)C(=O)O AB14484 [0,0,0,1,0,0|3,0,0]=4 41 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N AB02597 [0,0,0,0,1,0|2,0,1]=4 42 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N AB00920 [0,0,0,0,1,0|2,0,1]=4 43 B13R1.351 C[C@H](C(=O)[O-])\N=C/c1ccccc1 AB72141 [0,0,0,0,0,1|1,0,1]=3 44 B10R1.17 c1ccc(cc1)CCC=O AB00823 [2,0,0,0,0,0|0,0,2]=4 45 B10R1.18 CC(=O)Cc1ccccn1 AB03323 [2,0,0,0,0,0|1,0,1]=4 46 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [2,0,0,0,0,0|1,0,1]=4 47 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [2,0,0,0,0,0|1,0,1]=4 48 B10R1.18 CC(=O)Nc1ccncc1 AB06982 [2,0,0,0,0,0|2,0,0]=4 49 B12R1.21 CC(=O)COc1ccc(cc1)Br AB26100 [1,1,0,0,0,0|1,0,1]=4 50 B12R1.21 CC(=O)COc1ccc(cc1)Cl AB26096 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.21 CC(=O)COc1ccc(cc1)F AB26104 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.21 CC(=O)COc1ccc(cc1)I AB26107 [1,1,0,0,0,0|1,0,1]=4 53 B12R1.21 Cc1ccc(cc1)OCC(=O)C AB26110 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Br AB00374 [1,1,0,0,0,0|1,0,0]=3 55 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Cl AB00377 [1,1,0,0,0,0|1,0,0]=3 56 B12R1.21 c1cc(ccc1\C=C\C(=O)O)F AB00375 [1,1,0,0,0,0|1,0,0]=3 57 B12R1.21 c1cc(ccc1\C=C\[N+](=O)[O-])Cl CB10126 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.27 c1ccc(cc1)COC(=O)CN CB10135 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.226 CC(=O)COc1cccc(c1)Br AB26134 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.226 CC(=O)COc1cccc(c1)Cl AB26133 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.226 CC(=O)COc1cccc(c1)F AB26135 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.226 Cc1cccc(c1)OCC(=O)C AB26138 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.226 c1cc(cc(c1)Br)\C=C\[N+](=O)[O-] AB04985 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O AB00370 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)Br CB10378 [0,1,0,0,1,0|2,0,0]=4 66 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)Cl AB24958 [0,1,0,0,1,0|2,0,0]=4 67 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)F AB28722 [0,1,0,0,1,0|2,0,0]=4 68 B12R1.225 CC(c1cccc(c1)Cl)C(=O)O AB14392 [0,1,0,0,1,0|1,0,1]=4 69 B12R1.253 CC(c1ccccc1)(C(=O)O)N AB04677 [0,1,0,0,1,0|1,0,1]=4 70 B12R1.253 C[C@@](c1ccccc1)(C(=O)O)N AB33357 [0,1,0,0,1,0|1,0,1]=4 71 B12R1.253 C[C@@](c1ccccc1)(C(=O)O)O AB02735 [0,1,0,0,1,0|1,0,1]=4 72 B12R1.253 C[C@](c1ccccc1)(C(=O)O)N AB33354 [0,1,0,0,1,0|1,0,1]=4 73 B12R1.253 C[C@](c1ccccc1)(C(=O)O)O AB02737 [0,1,0,0,1,0|1,0,1]=4 74 B12R1.478 CNC(c1ccccc1)C(=O)O AB08751 [0,1,0,0,1,0|1,0,1]=4 75 B12R1.478 c1ccc(cc1)C(CN)C(=O)O AB11929 [0,1,0,0,1,0|1,0,1]=4 76 B12R1.478 c1ccc(cc1)[C@H](CN)C(=O)O AB62462 [0,1,0,0,1,0|1,0,1]=4 77 B14R1.415 C[C@H](C(=O)O)NC(=O)c1ccccc1 AB02521 [0,1,0,0,0,1|1,0,1]=4 78 B14R1.756 CC(C(=O)OC)NCc1ccccc1 AB66346 [0,1,0,0,0,1|0,0,2]=4 79 B14R1.3 C\C(=C/c1ccc(cc1)OC)\[N+](=O)[O-] AB03777 [0,2,0,0,0,0|2,0,0]=4 80 B14R1.1031 COC(=O)[C@@H](Cc1ccccc1)CN MB69440 [0,2,0,0,0,0|0,0,2]=4 81 B14R1.550 c1ccc(c(c1)\C=C(/C#N)\C(=O)O)Cl AB51103 [0,2,0,0,0,0|1,0,1]=4 82 B12R2.18 CN1Cc2ccccc2C1=O MB00364 [1,0,0,1,0,0|1,0,1]=4 83 B12R2.18 Cn1c(=O)c2ccccc2[nH]1 MB14910 [1,0,0,1,0,0|2,0,0]=4 84 B12R2.24 Cc1cnc2ccccc2n1 CB10047 [1,0,0,1,0,0|2,0,0]=4 85 B12R2.24 c1ccc2c(c1)cc(cn2)Br AB00810 [1,0,0,1,0,0|2,0,0]=4 86 B12R2.32 C1=CC2C=C(N=C2C=C1)C=O AB12824 [1,0,0,1,0,0|1,0,1]=4 87 B12R2.32 c1ccc2c(c1)cc(o2)C=O CB10104 [1,0,0,1,0,0|1,0,0]=3 88 B12R2.32 c1ccc2c(c1)nc(s2)C=O AB06418 [1,0,0,1,0,0|2,0,0]=4 89 B12R2.32 c1ccn2c(c1)cc(n2)C=O AB19635 [1,0,0,1,0,0|2,0,0]=4 90 B12R2.32 c1ccn2cc(cc2c1)C=O AB60664 [1,0,0,1,0,0|1,0,1]=4 91 B12R2.22 c1ccc(cc1)C2CC(=O)C2 PB26115 [1,0,0,1,0,0|0,0,2]=4 92 B12R2.22 c1ccc(cc1)C2CC(=O)N2 AB10995 [1,0,0,1,0,0|1,0,1]=4 93 B14R2.19 c1ccc(cc1)CN2CCC(=O)C2 PB19844 [0,0,0,1,0,1|1,0,1]=4 94 B14R2.768 CC(=O)Nc1cc2ccccc2o1 AB63465 [0,0,0,1,0,1|1,0,0]=3 95 B14R2.768 CC(=O)OC1Cc2ccccc2C1 AB66196 [0,0,0,1,0,1|0,0,2]=4 96 B14R2.768 c1ccc2c(c1)CC(=CC(=O)O)C2 AB18149 [0,0,0,1,0,1|1,0,1]=4 97 B14R2.781 CC(=O)c1cc2ccccc2cn1 AB25777 [0,0,0,1,0,1|0,0,1]=3 98 B14R2.781 c1ccc2c(c1)ccc(n2)C(=O)O AB00802 [0,0,0,1,0,1|2,0,0]=4 99 B14R2.781 c1ccc2c(c1)ncc(n2)C(=O)O CB10089 [0,0,0,1,0,1|2,0,0]=4 100 B14R2.781 c1ccc2cnc(cc2c1)C(=O)O AB02856 [0,0,0,1,0,1|1,0,1]=4 101 B14R2.4529 Cc1ccc2c(c1)cc(o2)C(=O)O MB02658 [0,1,0,1,0,0|2,0,0]=4 102 B14R2.4529 Cc1ccc2cc(oc2c1)C(=O)O MB05116 [0,1,0,1,0,0|2,0,0]=4 103 B14R2.4529 c1cc(cc2c1cc(o2)C(=O)O)Br MB02552 [0,1,0,1,0,0|2,0,0]=4 104 B14R2.4529 c1cc(cc2c1cc(s2)C(=O)O)Br PB14483 [0,1,0,1,0,0|2,0,0]=4 105 B14R2.4529 c1cc2c(cc1Br)cc(o2)C(=O)O MB00634 [0,1,0,1,0,0|2,0,0]=4 106 B14R2.4529 c1cc2c(cc1Cl)cc(o2)C(=O)O MB00499 [0,1,0,1,0,0|2,0,0]=4 107 B14R2.4529 c1cc2c(cc1F)cc(o2)C(=O)O MB06881 [0,1,0,1,0,0|2,0,0]=4 108 B14R2.8239 Cc1cc2cc(ccc2nc1Cl)Br AB12569 [0,1,0,1,0,0|2,0,0]=4 109 B14R2.8239 Cc1cc2cc(ccc2nc1Cl)Cl AB42139 [0,1,0,1,0,0|2,0,0]=4 110 B14R2.8239 Cc1cc2cc(ccc2nc1Cl)F AB51948 [0,1,0,1,0,0|2,0,0]=4 111 B14R2.8239 Cc1cc2cc(ccc2nc1N)Br AB05791 [0,1,0,1,0,0|2,0,0]=4 112 B14R2.8239 Cc1cc2cc(ccc2nc1N)Cl AB05783 [0,1,0,1,0,0|2,0,0]=4 113 B14R2.8239 Cc1cc2cc(ccc2nc1N)F AB05794 [0,1,0,1,0,0|2,0,0]=4 114 B14R2.8239 Cc1cc2ccc(cc2nc1Cl)Br AB51952 [0,1,0,1,0,0|2,0,0]=4 115 B14R2.8239 Cc1cc2ccc(cc2nc1Cl)Cl AB51955 [0,1,0,1,0,0|2,0,0]=4 116 B14R2.8239 Cc1cc2ccc(cc2nc1Cl)F AB51968 [0,1,0,1,0,0|2,0,0]=4 117 B14R2.8239 Cc1cc2ccc(cc2nc1N)Br AB05830 [0,1,0,1,0,0|2,0,0]=4 118 B14R2.8239 Cc1cc2ccc(cc2nc1N)Cl AB05787 [0,1,0,1,0,0|2,0,0]=4 119 B14R2.8239 Cc1cc2ccc(cc2nc1N)F AB05796 [0,1,0,1,0,0|2,0,0]=4 120 B14R2.8239 Cc1cc2ccc(cc2oc1=O)O AB50338 [0,1,0,1,0,0|1,0,0]=3 121 B14R2.8239 Cc1ccc2c(c1)cc(c(n2)Cl)C AB42073 [0,1,0,1,0,0|2,0,0]=4 122 B14R2.8239 Cc1ccc2c(c1)cc(c(n2)N)C AB05771 [0,1,0,1,0,0|2,0,0]=4 123 B14R2.8239 Cc1ccc2cc(c(cc2n1)C)C AB45155 [0,1,0,1,0,0|2,0,0]=4 124 B14R2.8239 Cc1ccc2cc(c(nc2c1)Cl)C AB11873 [0,1,0,1,0,0|2,0,0]=4 125 B14R2.8239 Cc1ccc2cc(c(nc2c1)N)C AB05775 [0,1,0,1,0,0|2,0,0]=4 126 B14R2.30 c1ccc(cc1)CN2CCCC2=O AB00299 [0,1,0,1,0,0|1,0,1]=4 127 B14R2.972 COC(=O)C1=NC2=C(=C1)C=CC=C2 AB06098 [0,1,0,1,0,0|1,0,1]=4 128 B14R2.972 c1ccc2c(c1)cc(o2)C(=O)C=O AB48663 [0,1,0,1,0,0|1,0,1]=4 129 B14R2.972 c1ccc2c(c1)cc(o2)C(=O)C=O AB51076 [0,1,0,1,0,0|1,0,1]=4 130 B14R2.972 c1ccc2c(c1)cc(s2)C(=O)C=O AB48667 [0,1,0,1,0,0|1,0,1]=4 131 B14R2.1128 CCc1cc2ccccc2nc1N AB05805 [0,1,0,1,0,0|2,0,0]=4 132 B14R2.1128 c1ccc2c(c1)cc(c(n2)Br)CN AB60208 [0,1,0,1,0,0|2,0,0]=4 133 B14R2.1128 c1ccc2c(c1)cc(c(n2)C=O)Br AB46109 [0,1,0,1,0,0|2,0,0]=4 134 B14R2.1128 c1ccc2c(c1)cc(c(n2)Cl)CCl AB22936 [0,1,0,1,0,0|2,0,0]=4 135 B14R2.8188 Cc1c(nc2ccccc2c1Cl)C AB50456 [0,1,0,1,0,0|1,0,0]=3 136 B14R2.8188 Cc1c(nc2ccccc2c1O)C AB50455 [0,1,0,1,0,0|1,0,0]=3 137 B14R2.8188 c1ccc2c(c1)CC(=O)N(C2=O)N MB02175 [0,1,0,1,0,0|2,0,0]=4 138 B14R2.7969 CC(=O)n1cc2c(n1)cccc2Br MB69229 [0,1,0,1,0,0|2,0,0]=4 139 B14R2.7969 Cc1cccc2c1oc(c2)C(=O)O MB09960 [0,1,0,1,0,0|2,0,0]=4 140 B14R2.7969 c1cc2c(cc(s2)C(=O)O)c(c1)Br PB18598 [0,1,0,1,0,0|2,0,0]=4 141 B14R2.7969 c1cc2cc(oc2c(c1)Br)C(=O)O MB08955 [0,1,0,1,0,0|2,0,0]=4 142 B14R2.7969 c1cc2cc(sc2c(c1)Br)C(=O)O PB28381 [0,1,0,1,0,0|2,0,0]=4 143 B14R2.28472 Cc1cc2c(ccnc2cc1C)Cl AB52102 [0,1,0,1,0,0|2,0,0]=4 144 B14R2.28472 Cc1cc2c(ccnc2cc1C)N AB52053 [0,1,0,1,0,0|2,0,0]=4 145 B14R2.28472 Cc1cc2c(ccnc2cc1C)O AB05728 [0,1,0,1,0,0|2,0,0]=4 146 B14R2.28472 Cc1cccc2c1nc(c(c2)C)Cl AB42069 [0,1,0,1,0,0|2,0,0]=4 147 B14R2.28472 Cc1cccc2c1nc(c(c2)C)N AB05779 [0,1,0,1,0,0|2,0,0]=4 148 B14R2.450 Cn1c2ccccc2nc1C(=O)O AB09980 [0,1,0,1,0,0|2,0,0]=4 149 B10R1.15 c1cc(cnc1)C(=O)C=O AB62325 [1,0,0,0,1,0|2,0,0]=4 150 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [1,0,0,0,1,0|1,0,0]=3 151 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [1,0,0,0,1,0|1,0,0]=3 152 B10R1.15 c1ccnc(c1)C(=O)C=O AB62330 [1,0,0,0,1,0|2,0,0]=4 153 B10R1.15 c1cnccc1C(=O)C=O AB62328 [1,0,0,0,1,0|2,0,0]=4 154 B10R1.66 c1cscc1\C=C\C(=O)Cl AB16567 [1,0,0,0,1,0|2,0,0]=4