0 B10R0.92 CP(=O)(O)CCC(N)C(=O)O Z2737639744 [0,0,0,0,0,0|3,0,0]=3 1 B10R0.92 CS(=O)(=O)CCC(N)C(=O)N Z425449706 [0,0,0,0,0,0|3,0,0]=3 2 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O Z5517615815 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [1,0,0,0,0,0|3,0,0]=4 4 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [1,0,0,0,0,0|2,0,1]=4 5 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [1,0,0,0,0,0|3,0,0]=4 6 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [1,0,0,0,0,0|3,0,0]=4 7 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [1,0,0,0,0,0|3,0,0]=4 8 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [1,0,0,0,0,0|2,0,0]=3 9 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [1,0,0,0,0,0|2,0,0]=3 10 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [1,0,0,0,0,0|2,0,0]=3 11 B9R0.56 CS(=O)(=O)CCCC(=O)O Z732206736 [1,0,0,0,0,0|2,0,0]=3 12 B9R0.56 CS(=O)(=O)NCCC(=O)O Z45674355 [1,0,0,0,0,0|2,0,0]=3 13 B9R0.56 NS(=O)(=O)CCCC(=O)O Z351064580 [1,0,0,0,0,0|2,0,0]=3 14 B9R0.56 O=C(O)CCCP(=O)(O)O Z1255431129 [1,0,0,0,0,0|2,0,1]=4 15 B11R0.290 COC(=O)C(N)CCS(=O)(=O)N Z2941405023 [0,1,0,0,0,0|2,0,0]=3 16 B11R0.302 CCS(=O)(=O)NC[C@H](O)C(=O)O Z1738571159 [0,1,0,0,0,0|3,0,0]=4 17 B11R0.313 COC(CCS(=O)(=O)C)C(=O)O Z3378119883 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.707 CS(=O)(=O)N1CC(C1)C(=O)O Z1201628846 [0,0,0,1,0,0|3,0,0]=4 19 B11R1.707 CS(=O)(=O)[C@H]1C[C@H](C1)C(=O)O Z2944218661 [0,0,0,1,0,0|3,0,0]=4 20 B11R1.727 O=C(O)C1CCS(=O)(=O)CC1 Z826527398 [0,0,0,1,0,0|3,0,0]=4 21 B11R1.727 O=C(O)C1CCS(=O)(=O)CN1 Z3353488989 [0,0,0,1,0,0|2,0,0]=3 22 B9R0.57 CC(CS(=O)(=O)C)C(=O)O Z732206758 [0,0,0,0,1,0|2,0,0]=3 23 B9R0.57 CC(NS(=O)(=O)C)C(=O)O Z45674775 [0,0,0,0,1,0|3,0,0]=4 24 B9R0.57 C[C@H](NS(=O)(=O)C)C(=O)O Z115596342 [0,0,0,0,1,0|3,0,0]=4 25 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Z1198149799 [0,0,0,0,1,0|0,0,0]=1 26 B9R0.57 O=C(O)C(O)CS(=O)(=O)O Z1198232967 [0,0,0,0,1,0|1,0,0]=2 27 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [2,0,0,0,0,0|2,0,0]=4 28 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Z1198152810 [1,1,0,0,0,0|2,0,0]=4 29 B10R0.82 COC(=O)CC[C@H](N)C(=O)O Z1741982704 [1,1,0,0,0,0|2,0,0]=4 30 B10R0.93 C=C(CC(N)C(=O)O)C(=O)O Z3444602422 [1,1,0,0,0,0|2,0,0]=4 31 B10R0.31 CS(=O)(=O)C[C@H](O)CC(=O)O Z3271509641 [1,1,0,0,0,0|2,0,0]=4 32 B10R0.60 COC(=O)CCCS(=O)(=O)N Z734460660 [1,1,0,0,0,0|2,0,0]=4 33 B10R0.65 CCS(=O)(=O)NCCC(=O)O Z53825543 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 Z104341242 [1,0,0,1,0,0|2,0,0]=4 35 B10R1.371 O=C(O)CC1CS(=O)(=O)C1 Z1551962059 [1,0,0,1,0,0|2,0,0]=4 36 B12R1.2203 NC(C(=O)O)C1CCS(=O)(=O)C1 Z4602860434 [0,0,0,1,0,1|2,0,0]=4 37 B12R1.3097 NC1(CCCS(=O)(=O)C1)C(=O)O Z2216303132 [0,0,0,1,0,1|2,0,0]=4 38 B12R1.1831 NC1(CCS(=O)(=O)C1)CC(=O)O Z2238510843 [0,0,0,1,0,1|2,0,0]=4 39 B12R1.1704 COC(=O)C1CCS(=O)(=O)CN1 Z3624634519 [0,1,0,1,0,0|2,0,0]=4 40 B12R1.1737 COC(=O)C1(CCS(=O)(=O)C1)N Z3727505851 [0,1,0,1,0,0|2,0,0]=4 41 B12R1.3088 NC1(CCS(=O)(=O)CC1)C(=O)O Z826527348 [0,1,0,1,0,0|2,0,0]=4 42 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [1,0,0,0,1,0|2,0,0]=4 43 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [1,0,0,0,1,0|2,0,0]=4 44 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [1,0,0,0,1,0|2,0,0]=4 45 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [1,0,0,0,1,0|2,0,0]=4 46 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [1,0,0,0,1,0|1,0,0]=3 47 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [1,0,0,0,1,0|1,0,0]=3 48 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [1,0,0,0,1,0|1,0,0]=3 49 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [1,0,0,0,1,0|2,0,0]=4 50 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [1,0,0,0,1,0|2,0,0]=4 51 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [1,0,0,0,1,0|2,0,0]=4 52 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [1,0,0,0,1,0|2,0,0]=4 53 B8R0.24 O=S(=O)(O)CC(O)CO Z1896291473 [1,0,0,0,1,0|1,0,1]=4 54 B8R0.27 CC(C(=O)O)S(=O)(=O)C Z295403352 [0,0,0,0,2,0|2,0,0]=4 55 B8R0.27 CC(C(=O)O)S(=O)(=O)O Z1262510815 [0,0,0,0,2,0|1,0,0]=3 56 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Z1222399234 [1,0,0,0,0,1|1,0,0]=3 57 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Z1255486317 [1,0,0,0,0,1|2,0,0]=4