0 B13R2.435 B(c1cc2ccccc2[nH]1)(O)O BC215335 [0,0,0,0,0,0|1,0,1]=2 1 B13R2.435 CC(=O)c1nc2ccccc2o1 BC210036 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.435 CC(c1cc2ccccc2s1)O BC224959 [0,0,0,0,0,0|2,0,1]=3 3 B13R2.435 c1ccc2c(c1)CC(C2)C(=O)O BC685119 [0,0,0,0,0,0|1,0,2]=3 4 B13R2.435 c1ccc2c(c1)CC(N2)C(=O)O BC204510 [0,0,0,0,0,0|0,0,2]=2 5 B13R2.435 c1ccc2c(c1)C[C@@H](N2)C(=O)O BC210954 [0,0,0,0,0,0|0,0,2]=2 6 B13R2.435 c1ccc2c(c1)[nH]c(n2)C(=O)O BC677979 [0,0,0,0,0,0|1,0,0]=1 7 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)O BC226986 [0,0,0,0,0,0|1,0,0]=1 8 B12R2.32 CCc1[nH]c2ccccc2n1 BC219982 [1,0,0,0,0,0|2,0,1]=4 9 B12R2.32 CCc1cc2ccccc2[nH]1 BC671235 [1,0,0,0,0,0|1,0,1]=3 10 B12R2.32 c1ccc2c(c1)cc([nH]2)CO BC678894 [1,0,0,0,0,0|0,0,1]=2 11 B14R2.450 Cn1c2ccccc2nc1C(=O)O BC684046 [0,1,0,0,0,0|1,0,0]=2 12 B14R2.789 c1ccc2c(c1)CC(C2)(C(=O)O)N BC202469 [0,1,0,0,0,0|1,0,2]=4 13 B14R2.972 CC(c1cc2ccccc2s1)NO BC226183 [0,1,0,0,0,0|2,0,1]=4 14 B14R2.4529 B(c1cc2cc(ccc2s1)F)(O)O BC655247 [0,1,0,0,0,0|2,0,1]=4 15 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Br BC219791 [0,1,0,0,0,0|0,0,0]=1 16 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Cl BC201459 [0,1,0,0,0,0|0,0,0]=1 17 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)O BC677380 [0,1,0,0,0,0|0,0,0]=1 18 B14R2.4529 c1cc2c(cc1Br)cc([nH]2)C(=O)O BC202345 [0,1,0,0,0,0|0,0,0]=1 19 B14R2.4529 c1cc2nc(cn2cc1Br)C(=O)O BC256289 [0,1,0,0,0,0|1,0,1]=3 20 B14R2.7969 c1cc2c(c(c1)Br)OC(N2)C(=O)O BC600033 [0,1,0,0,0,0|1,0,1]=3 21 B14R2.7969 c1cc2c(c(c1)Cl)OC(C2)C(=O)O BC600035 [0,1,0,0,0,0|1,0,2]=4 22 B14R2.7969 c1cc2c(cc([nH]2)C(=O)O)c(c1)Br BC225101 [0,1,0,0,0,0|0,0,0]=1 23 B14R2.7969 c1cc2c(cc([nH]2)C(=O)O)c(c1)Cl BC225533 [0,1,0,0,0,0|0,0,0]=1 24 B14R2.7969 c1cc2c(cc([nH]2)C(=O)O)c(c1)F BC225534 [0,1,0,0,0,0|0,0,0]=1 25 B14R2.7969 c1cc2c(cc(s2)C(=O)O)c(c1)Cl BC683218 [0,1,0,0,0,0|1,0,0]=2 26 B14R2.7969 c1cc2cc([nH]c2c(c1)O)C(=O)O BC215480 [0,1,0,0,0,0|0,0,0]=1 27 B12R1.43 C=C(Cc1ccccc1)C(=O)O BC220589 [0,0,1,0,0,0|1,0,0]=2 28 B12R1.43 c1ccc(cc1)CC(C(=O)O)O BC224313 [0,0,1,0,0,0|1,0,2]=4 29 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)Cl BC636160 [0,0,1,0,0,0|1,0,2]=4 30 B12R1.43 c1cnccc1C[C@H](C(=O)O)N BC225171 [0,0,1,0,0,0|1,0,2]=4 31 B12R1.125 Cc1ccccc1CCC(=O)O BC684657 [0,0,1,0,0,0|1,0,2]=4 32 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br BC687835 [0,0,1,0,0,0|1,0,2]=4 33 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl BC684352 [0,0,1,0,0,0|1,0,2]=4 34 B12R2.3190 c1ccc2c(c1)CC2C(=O)O BC225119 [0,0,0,0,1,0|0,0,2]=3 35 B14R2.768 c1ccc2c(c1)nc(s2)CC(=O)O BC681689 [0,0,0,0,0,1|1,0,1]=3 36 B14R2.781 B(c1cc2ccccc2nc1)(O)O BC228122 [0,0,0,0,0,1|1,0,2]=4 37 B14R2.781 B(c1ccc2ccccc2c1)(O)O BC215334 [0,0,0,0,0,1|2,0,1]=4 38 B14R2.781 B(c1ccc2ccccc2n1)(O)O BC228123 [0,0,0,0,0,1|1,0,2]=4 39 B14R2.781 c1cc(cc2c1ccnc2)C(=O)O BC679509 [0,0,0,0,0,1|2,0,0]=3 40 B14R2.781 c1cc(nc2c1cncc2)C(=O)O BC223657 [0,0,0,0,0,1|1,0,1]=3 41 B14R2.781 c1cc2c(cc1C(=O)O)nccn2 BC224612 [0,0,0,0,0,1|3,0,0]=4 42 B14R2.781 c1cc2c(ccc(n2)C(=O)O)nc1 BC645228 [0,0,0,0,0,1|1,0,1]=3 43 B14R2.781 c1cc2cc(ccc2nc1)C(=O)O BC223298 [0,0,0,0,0,1|2,0,0]=3 44 B14R2.781 c1cc2ccc(cc2nc1)C(=O)O BC228629 [0,0,0,0,0,1|2,0,0]=3 45 B14R2.781 c1ccc2c(c1)CC[C@@H](C2)C(=O)O BC226206 [0,0,0,0,0,1|1,0,2]=4 46 B14R2.781 c1ccc2c(c1)C[C@@H](NC2)C(=O)O BC210159 [0,0,0,0,0,1|0,0,2]=3 47 B14R2.781 c1ccc2c(c1)OCC(O2)C(=O)O BC209529 [0,0,0,0,0,1|1,0,2]=4 48 B14R2.781 c1ccc2cc(ccc2c1)C(=O)O BC201280 [0,0,0,0,0,1|1,0,0]=2 49 B14R2.781 c1ccc2cnc(cc2c1)C(=O)O BC225251 [0,0,0,0,0,1|0,0,1]=2 50 B14R2.781 c1ccc2cnc(cc2c1)C(=O)O BC677958 [0,0,0,0,0,1|0,0,1]=2 51 B11R1.91 c1cc(cnc1)\C=C\C(=O)O BC204442 [1,0,1,0,0,0|1,0,0]=3 52 B11R1.91 c1cc(cnc1)\C=C\C(=O)O BC630675 [1,0,1,0,0,0|1,0,0]=3 53 B11R1.91 c1ccc(cc1)\C=C\C(=O)Cl BC651782 [1,0,1,0,0,0|1,0,0]=3 54 B11R1.91 c1cnccc1\C=C\C(=O)O BC204449 [1,0,1,0,0,0|1,0,0]=3 55 B11R1.17 c1ccc(c(c1)\C=C\C=O)F BC245599 [1,0,1,0,0,0|1,0,0]=3 56 B11R2.10 Cc1cc2ccccc2[nH]1 BC200996 [2,0,0,0,0,0|0,0,1]=3 57 B11R2.10 Cc1cc2ccccc2o1 BC600174 [2,0,0,0,0,0|1,0,1]=4 58 B11R2.10 Cc1cc2ccccc2o1 BC600186 [2,0,0,0,0,0|1,0,1]=4 59 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 BC214905 [2,0,0,0,0,0|2,0,0]=4 60 B11R2.10 c1cc2c(nc1)CC(=O)N2 BC684571 [2,0,0,0,0,0|1,0,1]=4 61 B11R2.10 c1cc2cc([nH]c2nc1)Br BC681985 [2,0,0,0,0,0|2,0,0]=4 62 B11R2.10 c1ccc2=NC(=O)N=c2c1 BC219990 [2,0,0,0,0,0|1,0,1]=4 63 B11R2.10 c1ccc2c(c1)CC(=O)C2 BC214987 [2,0,0,0,0,0|1,0,1]=4 64 B11R2.10 c1ccc2c(c1)[nH]c(=O)o2 BC200827 [2,0,0,0,0,0|1,0,0]=3 65 B11R2.10 c1ccc2c(c1)[nH]c(n2)S BC201300 [2,0,0,0,0,0|1,1,0]=4 66 B11R2.10 c1ccn2c(c1)cc(n2)O BC638899 [2,0,0,0,0,0|1,0,1]=4 67 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)O BC675189 [0,1,1,0,0,0|0,0,2]=4 68 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)Br BC213761 [0,1,1,0,0,0|0,0,2]=4 69 B13R1.135 COC(=O)C(=C)Cc1ccccc1 BC214990 [0,1,1,0,0,0|1,0,0]=3 70 B13R1.148 c1cc(cc(c1)O)CC(C(=O)O)N BC215052 [0,1,1,0,0,0|0,0,2]=4 71 B13R1.148 c1cc(cc(c1)O)C[C@@H](C(=O)O)N BC227224 [0,1,1,0,0,0|0,0,2]=4 72 B13R1.148 c1cc(cc(c1)O)C[C@H](C(=O)O)N BC227225 [0,1,1,0,0,0|0,0,2]=4 73 B13R1.202 c1ccc(c(c1)C[C@@H](C(=O)O)N)Cl BC227232 [0,1,1,0,0,0|0,0,2]=4 74 B13R2.43 c1cc2c(cc1Br)cc([nH]2)C#N BC600792 [1,1,0,0,0,0|1,0,1]=4 75 B13R2.43 c1cc2c(cc1Br)cc([nH]2)CO BC682747 [1,1,0,0,0,0|0,0,1]=3 76 B15R2.984 CN1Cc2ccccc2CC1C(=O)O BC689546 [0,1,0,0,0,1|0,0,2]=4 77 B15R2.984 c1ccc2c(c1)cc(c(=O)[nH]2)C(=O)O BC204675 [0,1,0,0,0,1|0,0,0]=2 78 B15R2.984 c1ccc2cc(c(cc2c1)C(=O)O)O BC676778 [0,1,0,0,0,1|1,0,0]=3 79 B15R2.7180 c1cc(=O)[nH]c2c1cc(cc2)C(=O)O BC205074 [0,1,0,0,0,1|2,0,0]=4 80 B15R2.7180 c1cc(cc2c1cc(cc2)Br)C(=O)O BC205584 [0,1,0,0,0,1|1,0,0]=3 81 B15R2.7180 c1cc(nc2c1cc(cc2)Br)C(=O)O BC683689 [0,1,0,0,0,1|0,0,1]=3 82 B15R2.7180 c1cc2c(cc1O)CN[C@H](C2)C(=O)O BC202073 [0,1,0,0,0,1|0,0,2]=4 83 B15R2.13598 c1cc2cc(ccc2c(c1)Cl)C(=O)O BC600050 [0,1,0,0,0,1|1,0,0]=3 84 B15R2.1356 CCOC(=O)[C@@H]1Cc2ccccc2N1 BC220723 [0,2,0,0,0,0|0,0,2]=4 85 B15R2.1356 CCOC(=O)c1[nH]c2ccccc2n1 BC223820 [0,2,0,0,0,0|1,0,0]=3 86 B15R2.1598 COC(=O)C1Nc2cccc(c2O1)Cl BC600037 [0,2,0,0,0,0|1,0,1]=4 87 B15R2.1102 c1c2cc([nH]c2cc(c1F)F)C(=O)O BC202347 [0,2,0,0,0,0|0,0,0]=2 88 B15R2.4834 COc1ccc2c(c1)cc([nH]2)C(=O)O BC215320 [0,2,0,0,0,0|0,0,0]=2 89 B15R2.15633 c1c(cc(c2c1[nH]c(c2)C(=O)O)F)F BC202346 [0,2,0,0,0,0|0,0,0]=2 90 B15R2.20824 COc1cccc2c1cc([nH]2)C(=O)O BC213143 [0,2,0,0,0,0|0,0,0]=2 91 B13R2.369 c1ccc2cc(c(cc2c1)O)O BC213423 [0,0,1,1,0,0|2,0,0]=4 92 B13R2.5179 Cc1ccc2c(cccc2n1)N BC215778 [0,0,1,1,0,0|2,0,0]=4 93 B13R2.5179 c1cc2c(ccc(n2)O)c(c1)O BC256294 [0,0,1,1,0,0|2,0,0]=4 94 B13R2.5179 c1cc2cc(ccc2c(c1)O)O BC204477 [0,0,1,1,0,0|2,0,0]=4 95 B13R2.72 c1ccc2c(c1)c(c[nH]2)C(=O)O BC203227 [0,0,1,1,0,0|2,0,0]=4 96 B13R2.72 c1ccc2c(c1)c(cs2)C(=O)O BC222299 [0,0,1,1,0,0|2,0,0]=4 97 B13R2.72 c1ccc2c(c1)c(n[nH]2)C(=O)O BC205473 [0,0,1,1,0,0|1,0,1]=4 98 B13R2.5569 c1c[nH]c2c1ccnc2C(=O)O BC263990 [0,0,1,1,0,0|1,0,1]=4 99 B13R2.5569 c1cc(c2cc[nH]c2c1)C(=O)O BC215881 [0,0,1,1,0,0|2,0,0]=4 100 B13R2.5569 c1cc2cc[nH]c2c(c1)C(=O)O BC207873 [0,0,1,1,0,0|2,0,0]=4 101 B11R1.36 C=C(c1ccccc1)C(=O)O BC653116 [0,0,1,0,1,0|0,0,0]=2 102 B11R1.36 c1ccc(cc1)C(=O)C(=O)O BC215722 [0,0,1,0,1,0|1,0,0]=3 103 B11R1.36 c1ccc(cc1)C(C(=O)N)N BC216078 [0,0,1,0,1,0|1,0,1]=4 104 B11R1.36 c1ccc(cc1)C(C(=O)O)O BC204233 [0,0,1,0,1,0|1,0,1]=4 105 B11R1.36 c1ccc(cc1)C(C(=O)O)O BC250758 [0,0,1,0,1,0|1,0,1]=4 106 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N BC675296 [0,0,1,0,1,0|0,0,1]=3 107 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O BC677633 [0,0,1,0,1,0|1,0,1]=4 108 B11R1.86 c1ccc(c(c1)CC(=O)O)Br BC210254 [0,0,1,0,1,0|1,0,1]=4 109 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl BC675213 [0,0,1,0,1,0|1,0,1]=4 110 B13R1.348 c1ccc(cc1)NC(=O)CC(=O)O BC216422 [0,0,1,0,0,1|1,0,0]=3 111 B13R1.351 c1ccc(cc1)CCC(=O)C(=O)O BC216574 [0,0,1,0,0,1|1,0,1]=4 112 B13R2.57 C=Cc1ccc2ccccc2c1 BC221101 [1,0,0,0,0,1|2,0,0]=4 113 B13R2.57 c1cc2cc(ccc2nc1)C=O BC223299 [1,0,0,0,0,1|2,0,0]=4 114 B13R2.57 c1cc2ccc(cc2nc1)C=O BC228633 [1,0,0,0,0,1|2,0,0]=4 115 B13R2.57 c1ccc2c(c1)cc(cn2)C=O BC228631 [1,0,0,0,0,1|0,0,1]=3 116 B13R2.57 c1ccc2c(c1)ccc(n2)C=O BC228630 [1,0,0,0,0,1|0,0,1]=3 117 B13R2.57 c1ccc2cc(ccc2c1)C=O BC201281 [1,0,0,0,0,1|1,0,0]=3 118 B15R2.1668 c1cc2cc(ccc2nc1)CC(=O)O BC223297 [0,0,0,0,0,2|2,0,0]=4 119 B15R2.1668 c1cc2ccc(nc2nc1)CC(=O)O BC680170 [0,0,0,0,0,2|1,0,1]=4