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N=C(N)NCCC(=O)O Z959165114 [1,0,0,0,0,0|1,0,0]=2 17 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [1,0,0,0,0,0|1,0,2]=4 18 B8R0.28 NC(=O)NCCC(=O)O Z56347556 [1,0,0,0,0,0|0,0,2]=3 19 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [1,0,0,0,0,0|2,0,0]=3 20 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [1,0,0,0,0,0|3,0,0]=4 21 B8R0.28 O=C(O)COCC(=O)O Z57965384 [1,0,0,0,0,0|3,0,0]=4 22 B8R0.28 O=C(O)CSCC(=O)O Z104478584 [1,0,0,0,0,0|3,0,0]=4 23 B10R0.43 CC(C)(CCC(=O)O)C(=O)O Z1255464958 [0,1,0,0,0,0|3,0,0]=4 24 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Z1198152810 [0,1,0,0,0,0|3,0,0]=4 25 B10R0.82 COC(=O)CC[C@H](N)C(=O)O Z1741982704 [0,1,0,0,0,0|3,0,0]=4 26 B10R0.93 C=C(CC(N)C(=O)O)C(=O)O Z3444602422 [0,1,0,0,0,0|3,0,0]=4 27 B10R0.93 CC(CC(C)C(=O)O)C(=O)O Z1255485193 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.13 NC1=NCC(CC1)C(=O)O Z2378836818 [0,0,0,1,0,0|3,0,0]=4 29 B10R1.13 NC1=NCC(CN1)C(=O)O Z2379964091 [0,0,0,1,0,0|2,0,0]=3 30 B10R1.13 O=C1CCC(CN1)C(=O)O Z317054072 [0,0,0,1,0,0|2,0,1]=4 31 B10R1.13 O=C1CNC(CN1)C(=O)O Z1198278656 [0,0,0,1,0,0|2,0,1]=4 32 B10R1.349 NC(=O)N1CC(C1)C(=O)O Z1217191917 [0,0,0,1,0,0|1,0,2]=4 33 B10R1.470 CC1(CNC(=O)C1)C(=O)O Z1642347436 [0,0,0,1,0,0|2,0,1]=4 34 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [0,0,0,0,1,0|3,0,0]=4 35 B8R0.23 C=C(CC(=O)O)C(=O)O Z57127539 [0,0,0,0,1,0|2,0,1]=4 36 B8R0.23 C=C(Cl)CC(N)C(=O)O Z2689845474 [0,0,0,0,1,0|3,0,0]=4 37 B8R0.23 CC(=O)NC(C)C(=O)O Z104483794 [0,0,0,0,1,0|2,0,1]=4 38 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Z98655371 [0,0,0,0,1,0|2,0,1]=4 39 B8R0.23 CC(=O)N[C@H](C)C(=O)O Z829930658 [0,0,0,0,1,0|2,0,1]=4 40 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [0,0,0,0,1,0|1,0,2]=4 41 B8R0.23 CC(CC(=O)O)C(=O)N Z1203579878 [0,0,0,0,1,0|3,0,0]=4 42 B8R0.23 CC(NC(=O)N)C(=O)O Z56858169 [0,0,0,0,1,0|1,0,2]=4 43 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [0,0,0,0,1,0|1,0,2]=4 44 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [0,0,0,0,1,0|1,0,2]=4 45 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [0,0,0,0,1,0|1,0,2]=4 46 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [0,0,0,0,1,0|3,0,0]=4 47 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [0,0,0,0,1,0|2,0,0]=3 48 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [0,0,0,0,1,0|2,0,0]=3 49 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [0,0,0,0,1,0|2,0,0]=3 50 B8R0.23 O=C(O)CC(=O)C(=O)O Z271128590 [0,0,0,0,1,0|2,0,1]=4 51 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,0,0,0,1,0|2,0,0]=3 52 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [0,0,0,0,1,0|2,0,0]=3 53 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,0,0,0,1,0|2,0,0]=3 54 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,0,0,0,1,0|2,0,0]=3 55 B10R0.96 CC(CCC(=O)O)CC(=O)O Z104477714 [0,0,0,0,0,1|3,0,0]=4 56 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Z1222399234 [0,0,0,0,0,1|3,0,0]=4 57 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Z1255486317 [0,0,0,0,0,1|3,0,0]=4 58 B7R0.4 C=CCCCC(=O)O Z1205493561 [2,0,0,0,0,0|2,0,0]=4 59 B7R0.4 CCNCCC(=O)O Z1869802098 [2,0,0,0,0,0|1,0,1]=4 60 B7R0.5 C=CCC(N)C(=O)O Z317024964 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [2,0,0,0,0,0|2,0,0]=4 62 B7R0.5 CC(NC=O)C(=O)O Z56757230 [2,0,0,0,0,0|1,0,1]=4 63 B7R0.5 CNCC(C)C(=O)O Z1270387301 [2,0,0,0,0,0|1,0,1]=4 64 B7R0.5 NC(CCO)C(=O)O Z234896487 [2,0,0,0,0,0|1,0,1]=4 65 B7R0.5 NCCC(F)C(=O)O Z3235903750 [2,0,0,0,0,0|0,0,2]=4 66 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [2,0,0,0,0,0|1,0,1]=4 67 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [2,0,0,0,0,0|1,0,1]=4 68 B9R0.1 CCC(=O)NCCC(=O)O Z85914366 [1,1,0,0,0,0|1,0,1]=4 69 B9R0.1 COC(=O)CCCC(=O)O Z203045008 [1,1,0,0,0,0|2,0,0]=4 70 B9R0.1 COC(=O)NCCC(=O)O Z192954732 [1,1,0,0,0,0|1,0,0]=3 71 B9R0.1 O=C(O)CCNC(=O)CO Z1203746027 [1,1,0,0,0,0|1,0,0]=3 72 B9R0.53 CC(CC(=O)O)CC(=O)O Z1041180516 [1,1,0,0,0,0|2,0,0]=4 73 B9R0.53 CC(CC(=O)O)NC(=O)N Z398943198 [1,1,0,0,0,0|0,0,2]=4 74 B9R0.53 O=C(O)CC(O)CC(=O)O Z1198167174 [1,1,0,0,0,0|2,0,0]=4 75 B9R0.11 CC(O)(CC(=O)O)C(=O)O Z1255442426 [0,1,0,0,1,0|2,0,0]=4 76 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [0,1,0,0,1,0|2,0,0]=4 77 B9R0.39 N=C(N)NC(CS)C(=O)O Z1262518379 [0,1,0,0,1,0|2,0,0]=4 78 B9R0.39 NCC(CC(=O)O)C(=O)O Z1532540523 [0,1,0,0,1,0|2,0,0]=4 79 B9R0.79 CC(C(=O)O)C(C)C(=O)O Z1205493640 [0,1,0,0,1,0|2,0,0]=4 80 B9R0.79 O=C(O)C(O)C(O)C(=O)O Z104473036 [0,1,0,0,1,0|2,0,0]=4 81 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Z1147451575 [0,1,0,0,1,0|2,0,0]=4 82 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Z1147451717 [0,1,0,0,1,0|2,0,0]=4 83 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O Z1255431202 [0,1,0,0,1,0|2,0,0]=4 84 B9R1.6 O=C(O)C1CN=CNC1 Z2327883697 [1,0,0,1,0,0|1,0,0]=3 85 B9R1.35 O=C1CC(CN1)C(=O)O Z239137534 [1,0,0,1,0,0|1,0,1]=4 86 B9R1.35 O=C1NCC(N1)C(=O)O Z1162470818 [1,0,0,1,0,0|1,0,1]=4 87 B9R1.35 O=C1NCC(O1)C(=O)O Z1203735066 [1,0,0,1,0,0|1,0,1]=4 88 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Z1198723936 [1,0,0,1,0,0|2,0,0]=4 89 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Z1955918485 [1,0,0,1,0,0|2,0,0]=4 90 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,0,0,0,2,0|2,0,0]=4 91 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,0,0,0,2,0|2,0,0]=4 92 B9R0.55 NC(=O)NCCCC(=O)O Z56912008 [1,0,0,0,0,1|0,0,2]=4 93 B9R0.55 O=C(O)CCCCC(=O)O Z57127533 [1,0,0,0,0,1|2,0,0]=4 94 B11R0.29 N=C(N)NCCCC(N)C(=O)O Z56896349 [0,0,0,0,0,2|2,0,0]=4 95 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Z1201618596 [0,0,0,0,0,2|2,0,0]=4 96 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Z1143220275 [0,0,0,0,0,2|2,0,0]=4