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Z1203581899 [1,0,0,0,0,0|3,0,0]=4 16 B8R0.23 CC(CC(=O)O)C(=O)N Z1203579878 [1,0,0,0,0,0|3,0,0]=4 17 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [1,0,0,0,0,0|2,0,0]=3 19 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [1,0,0,0,0,0|2,0,0]=3 20 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [1,0,0,0,0,0|2,0,0]=3 21 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [1,0,0,0,0,0|2,0,0]=3 22 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [1,0,0,0,0,0|1,0,0]=2 23 B8R0.23 NC(CC(F)F)C(=O)O Z1250080925 [1,0,0,0,0,0|3,0,0]=4 24 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [1,0,0,0,0,0|1,0,0]=2 25 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [1,0,0,0,0,0|1,0,0]=2 26 B8R0.23 O=C(O)CC(=O)C(=O)O Z271128590 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [1,0,0,0,0,0|2,0,0]=3 28 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [1,0,0,0,0,0|2,0,0]=3 29 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [1,0,0,0,0,0|2,0,0]=3 30 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [1,0,0,0,0,0|2,0,0]=3 31 B8R0.24 CCC(N)CS(=O)(=O)C Z3015223301 [1,0,0,0,0,0|2,0,1]=4 32 B8R0.24 O=S(=O)(O)CC(O)CO Z1896291473 [1,0,0,0,0,0|1,0,1]=3 33 B8R0.29 CC(=O)CCS(=O)(=O)C Z992965806 [1,0,0,0,0,0|2,0,0]=3 34 B8R0.29 CS(=O)(=O)/C=C/C(=O)O Z1868430518 [1,0,0,0,0,0|1,0,2]=4 35 B8R0.29 CS(=O)(=O)CCC(=O)O Z295403530 [1,0,0,0,0,0|1,0,0]=2 36 B8R0.29 CS(=O)(=O)NCC(=O)[O-] Z336481574 [1,0,0,0,0,0|2,0,1]=4 37 B8R0.29 NS(=O)(=O)CCC(=O)O Z327222556 [1,0,0,0,0,0|1,0,0]=2 38 B8R0.29 NS(=O)(=O)NCC(=O)O Z295879318 [1,0,0,0,0,0|2,0,0]=3 39 B8R0.29 O=C(O)CCS(=O)(=O)[O-] Z2301438443 [1,0,0,0,0,0|0,0,1]=2 40 B10R0.37 COC(=O)C(C)NS(=O)(=O)C Z56150739 [0,1,0,0,0,0|3,0,0]=4 41 B10R0.37 COC(=O)[C@H](C)NS(=O)(=O)C Z133653676 [0,1,0,0,0,0|3,0,0]=4 42 B10R0.67 CCS(=O)(=O)NC(C)C(=O)O Z53825283 [0,1,0,0,0,0|3,0,0]=4 43 B10R0.95 CS(=O)(=O)N[C@@H](CO)C(=O)O Z756471904 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 Z104341242 [0,0,0,1,0,0|2,0,0]=3 45 B8R0.27 CC(C(=O)O)S(=O)(=O)C Z295403352 [0,0,0,0,1,0|2,0,0]=3 46 B8R0.27 CC(C(=O)O)S(=O)(=O)O Z1262510815 [0,0,0,0,1,0|1,0,0]=2 47 B10R0.31 CS(=O)(=O)C[C@H](O)CC(=O)O Z3271509641 [0,0,0,0,0,1|2,0,0]=3 48 B10R0.92 CP(=O)(O)CCC(N)C(=O)O Z2737639744 [0,0,0,0,0,1|2,0,0]=3 49 B10R0.92 CS(=O)(=O)CCC(N)C(=O)N Z425449706 [0,0,0,0,0,1|2,0,0]=3 50 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O Z5517615815 [0,0,0,0,0,1|1,0,0]=2 51 B7R0.5 C=CCC(N)C(=O)O Z317024964 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.5 CCCC(N)C(=O)O Z317024724 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [2,0,0,0,0,0|2,0,0]=4 55 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.5 COCC(N)C(=O)O Z1613478163 [2,0,0,0,0,0|1,1,0]=4 57 B7R0.5 CSCC(N)C(=O)O Z317025996 [2,0,0,0,0,0|1,0,1]=4 58 B7R0.5 NC(CCF)C(=O)O Z2470036329 [2,0,0,0,0,0|2,0,0]=4 59 B7R0.5 NC(CCO)C(=O)O Z234896487 [2,0,0,0,0,0|1,0,0]=3 60 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [2,0,0,0,0,0|1,0,0]=3 62 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [2,0,0,0,0,0|1,0,0]=3 63 B7R0.6 CC(=O)CCC(=O)O Z104477318 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.6 CC(O)CCC(=O)O Z838959470 [2,0,0,0,0,0|2,0,0]=4 65 B7R0.6 CS(=O)CCC(=O)O Z667974346 [2,0,0,0,0,0|1,0,1]=4 66 B7R0.6 O=C(O)CCC(=O)O Z57127453 [2,0,0,0,0,0|1,0,0]=3 67 B7R0.8 CNCCS(=O)(=O)O Z3989262607 [2,0,0,0,0,0|2,0,0]=4 68 B7R0.8 CS(=O)(=O)CCCO Z1080376164 [2,0,0,0,0,0|1,0,1]=4 69 B7R0.8 NCCCS(=O)(=O)O Z1203578094 [2,0,0,0,0,0|1,0,1]=4 70 B7R0.8 NS(=O)(=O)CCCO Z1267897754 [2,0,0,0,0,0|1,0,1]=4 71 B7R0.9 CC(N)CS(=O)(=O)C Z1267881687 [2,0,0,0,0,0|1,0,1]=4 72 B7R0.9 CC(O)CS(=O)(=O)C Z991513264 [2,0,0,0,0,0|2,0,0]=4 73 B7R0.9 CC(O)CS(=O)(=O)[O-] Z3300698020 [2,0,0,0,0,0|1,0,1]=4 74 B7R0.9 NC(=O)CS(=O)(=O)N Z1203582027 [2,0,0,0,0,0|1,0,1]=4 75 B9R0.11 CC(O)(CC(=O)O)C(=O)O Z1255442426 [1,1,0,0,0,0|2,0,0]=4 76 B9R0.23 COC(=O)C(C)CC(=O)O Z1365493289 [1,1,0,0,0,0|2,0,0]=4 77 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [1,1,0,0,0,0|2,0,0]=4 78 B9R0.39 NCC(CC(=O)O)C(=O)O Z1532540523 [1,1,0,0,0,0|1,0,0]=3 79 B9R0.42 CCC(=O)CC(N)C(=O)O Z1820077230 [1,1,0,0,0,0|2,0,0]=4 80 B9R0.42 COC(=O)C[C@H](N)C(=O)O Z1079458540 [1,1,0,0,0,0|1,0,0]=3 81 B9R0.79 CC(C(=O)O)C(C)C(=O)O Z1205493640 [1,1,0,0,0,0|2,0,0]=4 82 B9R0.79 O=C(O)C(O)C(O)C(=O)O Z104473036 [1,1,0,0,0,0|2,0,0]=4 83 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Z1147451575 [1,1,0,0,0,0|2,0,0]=4 84 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Z1147451717 [1,1,0,0,0,0|2,0,0]=4 85 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O Z1255431202 [1,1,0,0,0,0|2,0,0]=4 86 B9R0.21 COC(=O)CCS(=O)(=O)N Z227905612 [1,1,0,0,0,0|1,0,0]=3 87 B9R0.21 COC(=O)CCS(=O)(=O)[O-] Z2684295464 [1,1,0,0,0,0|0,0,1]=3 88 B9R0.64 CCS(=O)(=O)NCC(=O)O Z54814318 [1,1,0,0,0,0|2,0,0]=4 89 B9R0.64 CNS(=O)(=O)CCC(=O)O Z351064476 [1,1,0,0,0,0|1,0,0]=3 90 B9R0.64 CNS(=O)(=O)NCC(=O)O Z1721258711 [1,1,0,0,0,0|2,0,0]=4 91 B9R0.80 CC(C)(C(=O)O)S(=O)(=O)C Z991513538 [0,1,0,0,1,0|2,0,0]=4 92 B11R0.290 COC(=O)C(N)CCS(=O)(=O)N Z2941405023 [0,1,0,0,0,1|1,0,0]=3 93 B11R0.302 CCS(=O)(=O)NC[C@H](O)C(=O)O Z1738571159 [0,1,0,0,0,1|2,0,0]=4 94 B11R0.313 COC(CCS(=O)(=O)C)C(=O)O Z3378119883 [0,1,0,0,0,1|2,0,0]=4 95 B11R0.64 COC(=O)C(C)C(C)S(=O)(=O)N Z1650725116 [0,2,0,0,0,0|2,0,0]=4 96 B11R0.186 CCOC(=O)C(N)CS(=O)(=O)C Z5267941883 [0,2,0,0,0,0|1,0,0]=3 97 B11R0.309 COC(=O)C(C)(C)CS(=O)(=O)N Z1335963281 [0,2,0,0,0,0|2,0,0]=4 98 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O Z2470415380 [1,0,0,1,0,0|2,0,0]=4 99 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O Z802856442 [1,0,0,1,0,0|2,0,0]=4 100 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O Z1201624589 [1,0,0,1,0,0|2,0,0]=4 101 B9R1.35 O=C1CC(CO1)C(=O)O Z1205493721 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [1,0,0,1,0,0|2,0,0]=4 103 B9R1.36 N[C@@H]1CS(=O)(=O)C[C@H]1O Z2306829280 [1,0,0,1,0,0|1,0,1]=4 104 B9R1.152 NC1(CC(=O)C1)C(=O)O Z4578587092 [1,0,0,1,0,0|2,0,0]=4 105 B9R1.152 NC1(CC(C1)O)C(=O)O Z1255398009 [1,0,0,1,0,0|2,0,0]=4 106 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Z1198723936 [1,0,0,1,0,0|2,0,0]=4 107 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Z1955918485 [1,0,0,1,0,0|2,0,0]=4 108 B11R1.710 O=C(O)CC1CCS(=O)(=O)C1 Z57162030 [0,0,0,1,0,1|2,0,0]=4 109 B11R1.707 CS(=O)(=O)N1CC(C1)C(=O)O Z1201628846 [0,0,0,1,0,1|2,0,0]=4 110 B11R1.707 CS(=O)(=O)[C@H]1C[C@H](C1)C(=O)O Z2944218661 [0,0,0,1,0,1|2,0,0]=4 111 B11R1.727 O=C(O)C1CCS(=O)(=O)CC1 Z826527398 [0,0,0,1,0,1|2,0,0]=4 112 B11R1.727 O=C(O)C1CCS(=O)(=O)CN1 Z3353488989 [0,0,0,1,0,1|1,0,0]=3 113 B11R1.730 O=C(O)C1CS(=O)(=O)CCN1 Z1762997260 [0,1,0,1,0,0|1,0,0]=3 114 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [1,0,0,0,1,0|2,0,0]=4 115 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [1,0,0,0,1,0|2,0,0]=4 116 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [1,0,0,0,1,0|2,0,0]=4 117 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [1,0,0,0,1,0|2,0,0]=4 118 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [1,0,0,0,1,0|2,0,0]=4 119 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [1,0,0,0,0,1|2,0,0]=4 120 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [1,0,0,0,0,1|1,0,1]=4 121 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [1,0,0,0,0,1|2,0,0]=4 122 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [1,0,0,0,0,1|2,0,0]=4 123 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [1,0,0,0,0,1|2,0,0]=4 124 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [1,0,0,0,0,1|1,0,0]=3 125 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [1,0,0,0,0,1|1,0,0]=3 126 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [1,0,0,0,0,1|1,0,0]=3 127 B9R0.53 CC(CC(=O)O)CC(=O)O Z1041180516 [1,0,0,0,0,1|2,0,0]=4 128 B9R0.53 O=C(O)CC(O)CC(=O)O Z1198167174 [1,0,0,0,0,1|2,0,0]=4 129 B9R0.56 CC(=O)NCCS(=O)(=O)N Z747542504 [1,0,0,0,0,1|2,0,0]=4 130 B9R0.56 CS(=O)(=O)CCCC(=O)O Z732206736 [1,0,0,0,0,1|1,0,0]=3 131 B9R0.56 CS(=O)(=O)NCCC(=O)O Z45674355 [1,0,0,0,0,1|1,0,0]=3 132 B9R0.56 NS(=O)(=O)CCCC(=O)O Z351064580 [1,0,0,0,0,1|1,0,0]=3 133 B9R0.56 O=C(O)CCCP(=O)(O)O Z1255431129 [1,0,0,0,0,1|1,0,1]=4 134 B9R0.56 O=C(O)CNCP(=O)(O)O Z3225522739 [1,0,0,0,0,1|1,0,1]=4