0 B9R0.57 C=C(OP(=O)([O-])O)C(=O)O Z2429425999 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.57 CC(CS(=O)(=O)C)C(=O)O Z732206758 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.57 CC(NS(=O)(=O)C)C(=O)O Z45674775 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.57 C[C@H](NS(=O)(=O)C)C(=O)O Z115596342 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Z1198149799 [0,0,0,0,0,0|1,0,1]=2 5 B9R0.57 O=C(O)C(O)CS(=O)(=O)O Z1198232967 [0,0,0,0,0,0|0,0,2]=2 6 B8R0.23 C/C(=C\C(=O)O)/C(=O)O Z104476308 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.23 C=C(CC(=O)O)C(=O)O Z57127539 [1,0,0,0,0,0|2,0,0]=3 8 B8R0.23 CC(C)CC(=O)C(=O)O Z975823226 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.23 O=C(O)/C=C(\I)/C(=O)O Z540727104 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.23 O=C(O)CC(=O)C(=O)O Z271128590 [1,0,0,0,0,0|1,0,0]=2 14 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [1,0,0,0,0,0|1,0,2]=4 15 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [1,0,0,0,0,0|1,1,1]=4 16 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [1,0,0,0,0,0|1,0,2]=4 17 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [1,0,0,0,0,0|1,0,2]=4 18 B8R0.24 O=C(CP(=O)(O)O)NO Z1999520090 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.24 O=S(=O)(O)CC(O)CO Z1896291473 [1,0,0,0,0,0|0,0,3]=4 20 B8R0.29 CC(=O)CCS(=O)(=O)C Z992965806 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.29 CS(=O)(=O)/C=C/C(=O)O Z1868430518 [1,0,0,0,0,0|1,0,1]=3 22 B8R0.29 CS(=O)(=O)CCC(=O)O Z295403530 [1,0,0,0,0,0|1,0,1]=3 23 B8R0.29 NS(=O)(=O)CC=C(Cl)Cl Z2380468973 [1,0,0,0,0,0|3,0,0]=4 24 B8R0.29 NS(=O)(=O)CCC(=O)O Z327222556 [1,0,0,0,0,0|1,0,1]=3 25 B8R0.29 NS(=O)(=O)NCC(=O)O Z295879318 [1,0,0,0,0,0|2,0,1]=4 26 B8R0.29 O=C(O)CCS(=O)(=O)[O-] Z2301438443 [1,0,0,0,0,0|0,0,2]=3 27 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 Z104341242 [0,0,0,1,0,0|2,0,1]=4 28 B8R0.27 CC(C(=O)O)S(=O)(=O)C Z295403352 [0,0,0,0,1,0|2,0,1]=4 29 B8R0.27 CC(C(=O)O)S(=O)(=O)O Z1262510815 [0,0,0,0,1,0|1,0,1]=3 30 B10R0.31 CS(=O)(=O)C[C@H](O)CC(=O)O Z3271509641 [0,0,0,0,0,1|1,0,2]=4 31 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O Z5517615815 [0,0,0,0,0,1|2,0,1]=4 32 B7R0.6 O=C(O)/C=C/C(=O)O Z57127460 [2,0,0,0,0,0|1,0,1]=4 33 B7R0.6 O=C(O)CCC(=O)O Z57127453 [2,0,0,0,0,0|1,0,1]=4 34 B7R0.9 CS(=O)(=O)CC(=O)O Z295402410 [2,0,0,0,0,0|1,0,0]=3 35 B7R0.9 NC(=O)CS(=O)(=O)N Z1203582027 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.9 NS(=O)(=O)CC(=O)O Z331472332 [2,0,0,0,0,0|1,0,0]=3 37 B7R0.9 O=C(O)CP(=O)(O)O Z277558864 [2,0,0,0,0,0|1,0,1]=4 38 B9R0.23 COC(=O)C(=O)CC(=O)C Z111869226 [1,1,0,0,0,0|2,0,0]=4 39 B9R0.42 C=C(CC(=O)OC)C(=O)O Z1201617378 [1,1,0,0,0,0|2,0,0]=4 40 B9R0.21 COC(=O)CCS(=O)(=O)N Z227905612 [1,1,0,0,0,0|1,0,1]=4 41 B9R0.21 COC(=O)CCS(=O)(=O)[O-] Z2684295464 [1,1,0,0,0,0|0,0,2]=4 42 B9R0.64 CNS(=O)(=O)CCC(=O)O Z351064476 [1,1,0,0,0,0|1,0,1]=4 43 B9R0.7 O=C(O)CCC(=O)C(=O)O Z57127547 [1,0,0,0,0,1|1,0,0]=3 44 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O Z1198157053 [1,0,0,0,0,1|2,0,0]=4 45 B9R0.56 CS(=O)(=O)CCCC(=O)O Z732206736 [1,0,0,0,0,1|1,0,1]=4 46 B9R0.56 CS(=O)(=O)NCCC(=O)O Z45674355 [1,0,0,0,0,1|1,0,1]=4 47 B9R0.56 NS(=O)(=O)CCCC(=O)O Z351064580 [1,0,0,0,0,1|1,0,1]=4