0 B13R2.435 c1cc2cc(sc2nc1)C(=O)O CM10774 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.435 c1cncc2c1sc(c2)C(=O)O CM10782 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.32 c1cncn2c1nc(c2)C=O CM10608 [1,0,0,0,0,0|2,0,1]=4 3 B14R2.4529 Cc1ccc2c(c1)cc([nH]2)C(=O)O CM13617 [0,1,0,0,0,0|0,0,0]=1 4 B14R2.4529 Cc1ccc2cc(sc2c1)C(=O)O CM13912 [0,1,0,0,0,0|1,0,0]=2 5 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Br CM13591 [0,1,0,0,0,0|0,0,0]=1 6 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)F CM13608 [0,1,0,0,0,0|0,0,0]=1 7 B14R2.4529 c1cc(cc2c1cc(o2)C(=O)O)Br CM10749 [0,1,0,0,0,0|1,0,0]=2 8 B14R2.4529 c1cc(cc2c1cc(s2)C(=O)O)Br CM10506 [0,1,0,0,0,0|1,0,0]=2 9 B14R2.4529 c1cc2c(cc1Br)cc(o2)C(=O)O CM10748 [0,1,0,0,0,0|1,0,0]=2 10 B14R2.4529 c1cc2c(cc1Br)cc(s2)C(=O)O CM10713 [0,1,0,0,0,0|1,0,0]=2 11 B14R2.4529 c1cc2c(cc1Cl)cc(o2)C(=O)O CM10766 [0,1,0,0,0,0|1,0,0]=2 12 B14R2.4529 c1cc2c(cc1Cl)cc(s2)C(=O)O CM10714 [0,1,0,0,0,0|1,0,0]=2 13 B14R2.4529 c1cc2c(cc1F)cc([nH]2)C(=O)O CM13610 [0,1,0,0,0,0|0,0,0]=1 14 B14R2.4529 c1cc2c(cc1F)cc(o2)C(=O)O CM10767 [0,1,0,0,0,0|1,0,0]=2 15 B14R2.4529 c1cc2c(cc1F)cc(s2)C(=O)O CM10715 [0,1,0,0,0,0|1,0,0]=2 16 B14R2.7969 Cc1cccc2c1cc(s2)C(=O)O CM10546 [0,1,0,0,0,0|1,0,0]=2 17 B14R2.7969 Cc1cccc2c1sc(c2)C(=O)O CM10716 [0,1,0,0,0,0|1,0,0]=2 18 B14R2.7969 c1c2c(cncc2Br)sc1C(=O)O CM10776 [0,1,0,0,0,0|2,0,0]=3 19 B14R2.7969 c1c2c(cncc2Cl)sc1C(=O)O CM10777 [0,1,0,0,0,0|2,0,0]=3 20 B14R2.7969 c1c2c(cncc2sc1C(=O)O)F CM10778 [0,1,0,0,0,0|2,0,0]=3 21 B14R2.7969 c1cc(c2cc(sc2c1)C(=O)O)F CM10720 [0,1,0,0,0,0|1,0,0]=2 22 B14R2.7969 c1cc2c(cc(s2)C(=O)O)c(c1)Br CM10718 [0,1,0,0,0,0|1,0,0]=2 23 B14R2.7969 c1cc2cc([nH]c2c(c1)Cl)C(=O)O CM13596 [0,1,0,0,0,0|0,0,0]=1 24 B14R2.7969 c1cc2cc(sc2c(c1)Br)C(=O)O CM10717 [0,1,0,0,0,0|1,0,0]=2 25 B14R2.7969 c1cc2cc(sc2c(c1)F)C(=O)O CM10719 [0,1,0,0,0,0|1,0,0]=2 26 B12R1.43 CC(=Cc1ccccc1)[N+](=O)[O-] CM13917 [0,0,1,0,0,0|2,0,1]=4 27 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br CM13747 [0,0,1,0,0,0|1,0,2]=4 28 B14R2.768 c1ccc2c(c1)cc([nH]2)CC(=O)O CM14084 [0,0,0,0,0,1|0,0,0]=1 29 B13R1.164 c1cc(c(cc1Br)Cl)C=CC(=O)O CM13575 [0,1,1,0,0,0|1,0,0]=3 30 B13R1.893 c1cc(c(cc1F)C=CC(=O)O)F CM13577 [0,1,1,0,0,0|1,0,0]=3 31 B13R2.43 c1cc2c(cc1Br)cc(s2)C=O CM10618 [1,1,0,0,0,0|1,0,0]=3 32 B15R2.627 c1ccc2c(c1)c(=O)c(c[nH]2)C(=O)O CM14131 [0,1,0,0,0,1|0,0,0]=2 33 B15R2.7174 c1cc(cc2c1ccc(c2)O)C(=O)O CM10625 [0,1,0,0,0,1|1,0,0]=3 34 B15R2.1590 COC(=O)c1cc2cc(ncc2s1)Cl CM10780 [0,2,0,0,0,0|2,0,0]=4 35 B15R2.1590 COC(=O)c1cc2ccc(cc2s1)Br CM10507 [0,2,0,0,0,0|1,0,0]=3 36 B15R2.1598 COC(=O)c1cc2c(cncc2s1)F CM10779 [0,2,0,0,0,0|2,0,0]=4 37 B15R2.1598 COC(=O)c1cc2c(s1)cncc2Br CM10621 [0,2,0,0,0,0|2,0,0]=4 38 B15R2.1102 c1c2cc([nH]c2cc(c1F)F)C(=O)O CM13601 [0,2,0,0,0,0|0,0,0]=2 39 B15R2.4834 COc1ccc2c(c1)cc([nH]2)C(=O)O CM13614 [0,2,0,0,0,0|0,0,0]=2 40 B15R2.7254 c1cc(c(c2c1[nH]c(c2)C(=O)O)F)Cl CM13595 [0,2,0,0,0,0|0,0,0]=2 41 B15R2.15633 c1c(cc(c2c1[nH]c(c2)C(=O)O)F)F CM13600 [0,2,0,0,0,0|0,0,0]=2 42 B15R2.15633 c1c(cc2c(c1F)cc(s2)C(=O)O)Br CM10721 [0,2,0,0,0,0|1,0,0]=3 43 B13R2.72 c1ccc2c(c1)c(c[nH]2)C(=O)O CM13587 [0,0,1,1,0,0|2,0,0]=4 44 B13R2.430 c1cc(cc2c1cco2)C(=O)O CM10756 [0,0,1,1,0,0|2,0,0]=4 45 B13R2.430 c1cc(cc2c1ccs2)C(=O)O CM10726 [0,0,1,1,0,0|2,0,0]=4 46 B13R2.430 c1cc2c(cco2)cc1C(=O)O CM10755 [0,0,1,1,0,0|2,0,0]=4 47 B13R2.430 c1cc2c(ccs2)cc1C(=O)O CM10619 [0,0,1,1,0,0|2,0,0]=4 48 B13R2.5569 c1cc(c2ccoc2c1)C(=O)O CM10760 [0,0,1,1,0,0|2,0,0]=4