0 B9R0.7 C=C(CCN(C)C)C(=O)O Z2582507950 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.7 CC(C)C(=O)NCC(=O)O Z85886685 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.7 CC(S)C(=O)NCC(=O)O Z2681891170 [0,0,0,0,0,0|2,1,1]=4 4 B9R0.7 CN(C)C(=O)CCC(=O)O Z270759422 [0,0,0,0,0,0|3,0,0]=3 5 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [0,0,0,0,0,0|2,0,1]=3 8 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [0,0,0,0,0,0|2,0,1]=3 9 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [0,0,0,0,0,0|1,0,1]=2 10 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [0,0,0,0,0,0|1,0,1]=2 11 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [0,0,0,0,0,0|1,0,1]=2 12 B9R0.7 O=C(O)C(=O)NCC(F)F Z1493061625 [0,0,0,0,0,0|3,0,1]=4 13 B9R0.7 O=C(O)CCC(=O)C(=O)O Z57127547 [0,0,0,0,0,0|0,0,0]=0 14 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] Z3767523054 [0,0,0,0,0,0|0,0,4]=4 15 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.9 C=CC(N)CCC(=O)O Z1255431434 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [1,0,0,0,0,0|1,0,1]=3 18 B8R0.9 CCC(=O)NCC(=O)O Z85886715 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.9 CNC(=O)CCC(=O)O Z429593572 [1,0,0,0,0,0|2,0,0]=3 20 B8R0.9 CNC(=O)NCC(=O)O Z223126780 [1,0,0,0,0,0|3,0,0]=4 21 B8R0.9 COC(=O)CCC(=O)O Z57663583 [1,0,0,0,0,0|2,0,0]=3 22 B8R0.9 COC(=O)NCC(=O)O Z111492620 [1,0,0,0,0,0|3,0,0]=4 23 B8R0.9 NCC(=O)CCC(=O)O Z1741972992 [1,0,0,0,0,0|1,0,1]=3 24 B8R0.9 NCC(=O)NCC(=O)O Z56896934 [1,0,0,0,0,0|2,0,1]=4 25 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [1,0,0,0,0,0|2,0,0]=3 26 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [1,0,0,0,0,0|1,0,1]=3 27 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [1,0,0,0,0,0|2,0,0]=3 28 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [1,0,0,0,0,0|2,0,0]=3 29 B8R0.28 N=C(N)NCCC(=O)O Z959165114 [1,0,0,0,0,0|3,0,0]=4 30 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [1,0,0,0,0,0|1,0,1]=3 31 B8R0.28 NC(=O)CNCC(=O)O Z4658099947 [1,0,0,0,0,0|2,0,1]=4 32 B8R0.28 NC(=O)CSCC(=O)O Z19691778 [1,0,0,0,0,0|2,0,1]=4 33 B8R0.28 NC(=O)NCCC(=O)O Z56347556 [1,0,0,0,0,0|2,0,0]=3 34 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [1,0,0,0,0,0|0,0,1]=2 35 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [1,0,0,0,0,0|1,0,1]=3 36 B8R0.28 O=C(O)COCC(=O)O Z57965384 [1,0,0,0,0,0|1,0,1]=3 37 B8R0.28 O=C(O)CSCC(=O)O Z104478584 [1,0,0,0,0,0|1,0,1]=3 38 B10R0.12 CC(C)(C)C(=O)CCC(=O)O Z838955688 [0,1,0,0,0,0|2,0,1]=4 39 B10R0.43 CC(=O)C(C)(C)CCC(=O)O Z1262511309 [0,1,0,0,0,0|2,0,1]=4 40 B10R0.43 CC(=O)CCC(C)(C)C(=O)O Z1255406328 [0,1,0,0,0,0|2,0,1]=4 41 B10R0.43 CC(C)(CCC(=O)O)C(=O)O Z1255464958 [0,1,0,0,0,0|1,0,1]=3 42 B10R0.43 CC(C)(SCC(=O)O)C(=O)O Z1251354570 [0,1,0,0,0,0|2,0,1]=4 43 B10R0.57 COC(=O)C(N)CCC(=O)N Z3251990215 [0,1,0,0,0,0|2,0,1]=4 44 B10R0.82 C=C(CCC(=O)OC)C(=O)O Z1262513566 [0,1,0,0,0,0|1,0,0]=2 45 B10R0.82 COC(=O)CCC(=O)C(C)C Z838955646 [0,1,0,0,0,0|2,0,1]=4 46 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Z1198152810 [0,1,0,0,0,0|1,0,1]=3 47 B10R0.82 COC(=O)CC[C@H](N)C(=O)O Z1741982704 [0,1,0,0,0,0|1,0,1]=3 48 B10R0.92 CP(=O)(O)CCC(N)C(=O)O Z2737639744 [0,1,0,0,0,0|2,0,1]=4 49 B10R0.93 C=C(CC(N)C(=O)O)C(=O)O Z3444602422 [0,1,0,0,0,0|1,0,0]=2 50 B10R0.93 CC(CC(C)C(=O)O)C(=O)O Z1255485193 [0,1,0,0,0,0|1,0,1]=3 51 B10R0.93 CC(NC(=O)C(=O)O)C(=O)O Z1262543836 [0,1,0,0,0,0|1,0,0]=2 52 B10R1.13 O=C1C=CC(=CO1)C(=O)O Z104472302 [0,0,0,1,0,0|1,0,2]=4 53 B10R1.13 O=C1CCC(=NN1)C(=O)O Z56871458 [0,0,0,1,0,0|2,0,0]=3 54 B10R1.13 O=C1CCC(CC1)C(=O)O Z235352395 [0,0,0,1,0,0|2,0,1]=4 55 B10R1.13 O=C1CCC(CN1)C(=O)O Z317054072 [0,0,0,1,0,0|2,0,1]=4 56 B10R1.58 CN1CC(CC1=O)C(=O)O Z57472350 [0,0,0,1,0,0|3,0,0]=4 57 B10R1.58 CN1CC(NC1=O)C(=O)O Z1203832385 [0,0,0,1,0,0|3,0,0]=4 58 B10R1.58 O=C(O)C1CC(=O)N(C1)O Z1205496168 [0,0,0,1,0,0|2,0,0]=3 59 B10R1.211 O=C(O)CCC(=O)C1CC1 Z838955870 [0,0,0,1,0,0|2,0,1]=4 60 B10R1.349 NC(=O)N1CC(C1)C(=O)O Z1217191917 [0,0,0,1,0,0|3,0,0]=4 61 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O Z2740745597 [0,0,0,1,0,0|2,0,1]=4 62 B8R0.23 C/C(=C\C(=O)O)/C(=O)O Z104476308 [0,0,0,0,1,0|1,0,1]=3 63 B8R0.23 C=C(CC(=O)O)C(=O)O Z57127539 [0,0,0,0,1,0|1,0,0]=2 64 B8R0.23 CC(=O)N(C)CC(=O)O Z85895184 [0,0,0,0,1,0|3,0,0]=4 65 B8R0.23 CC(C)CC(=O)C(=O)O Z975823226 [0,0,0,0,1,0|2,0,1]=4 66 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [0,0,0,0,1,0|2,0,1]=4 67 B8R0.23 CC(CC(=O)O)C(=O)N Z1203579878 [0,0,0,0,1,0|2,0,1]=4 68 B8R0.23 CN(C)C(=O)CC(=O)O Z963467438 [0,0,0,0,1,0|3,0,0]=4 69 B8R0.23 CN(CC(=O)O)C(=O)N Z126513734 [0,0,0,0,1,0|3,0,0]=4 70 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [0,0,0,0,1,0|2,0,1]=4 71 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [0,0,0,0,1,0|2,0,1]=4 72 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [0,0,0,0,1,0|2,0,1]=4 73 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [0,0,0,0,1,0|2,0,1]=4 74 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [0,0,0,0,1,0|1,0,1]=3 75 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [0,0,0,0,1,0|1,0,1]=3 76 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [0,0,0,0,1,0|1,0,1]=3 77 B8R0.23 O=C(O)/C=C(\I)/C(=O)O Z540727104 [0,0,0,0,1,0|1,0,1]=3 78 B8R0.23 O=C(O)CC(=O)C(=O)O Z271128590 [0,0,0,0,1,0|0,0,0]=1 79 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,0,0,0,1,0|0,0,2]=3 80 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [0,0,0,0,1,0|0,1,1]=3 81 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,0,0,0,1,0|0,0,2]=3 82 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,0,0,0,1,0|0,0,2]=3 83 B10R0.96 CC(CCC(=O)O)CC(=O)O Z104477714 [0,0,0,0,0,1|1,0,1]=3 84 B10R0.96 CN(C)NC(=O)CCC(=O)O Z1255457389 [0,0,0,0,0,1|3,0,0]=4 85 B10R0.98 CC(C)C(=O)NCCC(=O)O Z85914336 [0,0,0,0,0,1|2,0,1]=4 86 B10R0.98 CC(N)C(=O)NCCC(=O)O Z760082274 [0,0,0,0,0,1|2,0,1]=4 87 B10R0.98 CN(C)C(=O)CCCC(=O)O Z361417084 [0,0,0,0,0,1|3,0,0]=4 88 B10R0.98 CN(C)C(=O)CSCC(=O)O Z19691172 [0,0,0,0,0,1|3,0,0]=4 89 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Z1222399234 [0,0,0,0,0,1|1,0,1]=3 90 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Z1255486317 [0,0,0,0,0,1|1,0,1]=3 91 B7R0.4 C=CCCCC(=O)O Z1205493561 [2,0,0,0,0,0|1,0,1]=4 92 B7R0.5 NC(CCO)C(=O)O Z234896487 [2,0,0,0,0,0|1,0,1]=4 93 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [2,0,0,0,0,0|1,0,1]=4 94 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [2,0,0,0,0,0|1,0,1]=4 95 B7R0.6 CC(=O)CCC(=O)O Z104477318 [2,0,0,0,0,0|0,0,1]=3 96 B7R0.6 CC(=O)NCC(=O)O Z85886676 [2,0,0,0,0,0|1,0,1]=4 97 B7R0.6 CC(O)CCC(=O)O Z838959470 [2,0,0,0,0,0|1,0,1]=4 98 B7R0.6 CS(=O)CCC(=O)O Z667974346 [2,0,0,0,0,0|1,0,1]=4 99 B7R0.6 NC(=O)NCC(=O)O Z57009586 [2,0,0,0,0,0|2,0,0]=4 100 B7R0.6 O=C(O)/C=C/C(=O)O Z57127460 [2,0,0,0,0,0|0,0,2]=4 101 B7R0.6 O=C(O)CCC(=O)O Z57127453 [2,0,0,0,0,0|0,0,0]=2 102 B9R0.47 COCCNC(=O)C(=O)O Z424779030 [1,1,0,0,0,0|1,0,1]=4 103 B9R0.23 C=CC(=O)N(C)CC(=O)O Z316091412 [1,1,0,0,0,0|2,0,0]=4 104 B9R0.23 COC(=O)C(C)CC(=O)O Z1365493289 [1,1,0,0,0,0|2,0,0]=4 105 B9R0.24 COC(=O)CCC(=O)CN Z3015912776 [1,1,0,0,0,0|1,0,1]=4 106 B9R0.48 CCNC(=O)CCC(=O)O Z90312637 [1,1,0,0,0,0|1,0,1]=4 107 B9R0.48 CCOC(=O)CCC(=O)O Z56896764 [1,1,0,0,0,0|1,0,1]=4 108 B9R0.1 CCC(=O)NCCC(=O)O Z85914366 [1,1,0,0,0,0|2,0,0]=4 109 B9R0.1 COC(=O)CCCC(=O)O Z203045008 [1,1,0,0,0,0|0,0,1]=3 110 B9R0.1 COC(=O)CSCC(=O)O Z65933549 [1,1,0,0,0,0|1,0,1]=4 111 B9R0.1 COC(=O)NCCC(=O)O Z192954732 [1,1,0,0,0,0|1,0,0]=3 112 B9R0.1 O=C(O)CCNC(=O)CO Z1203746027 [1,1,0,0,0,0|1,0,0]=3 113 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O Z1198157053 [1,1,0,0,0,0|0,0,1]=3 114 B9R0.53 CC(CC(=O)O)CC(=O)O Z1041180516 [1,1,0,0,0,0|0,0,1]=3 115 B9R0.53 CC(CC(=O)O)NC(=O)N Z398943198 [1,1,0,0,0,0|2,0,0]=4 116 B9R0.53 CN(CC(=O)O)CC(=O)O Z119894774 [1,1,0,0,0,0|1,0,1]=4 117 B9R0.53 O=C(O)CC(O)CC(=O)O Z1198167174 [1,1,0,0,0,0|0,0,1]=3 118 B9R0.56 O=C(O)CCCP(=O)(O)O Z1255431129 [1,1,0,0,0,0|1,0,1]=4 119 B9R0.11 CC(O)(CC(=O)O)C(=O)O Z1255442426 [0,1,0,0,1,0|0,0,2]=4 120 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [0,1,0,0,1,0|1,0,1]=4 121 B9R0.39 NCC(CC(=O)O)C(=O)O Z1532540523 [0,1,0,0,1,0|1,0,1]=4 122 B9R0.79 C/C(=C(/C)\C(=O)O)/C(=O)O Z2607361494 [0,1,0,0,1,0|1,0,1]=4 123 B9R0.79 CC(C(=O)O)C(C)C(=O)O Z1205493640 [0,1,0,0,1,0|1,0,1]=4 124 B9R0.79 O=C(O)C(O)C(O)C(=O)O Z104473036 [0,1,0,0,1,0|0,0,2]=4 125 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Z1147451575 [0,1,0,0,1,0|0,0,2]=4 126 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Z1147451717 [0,1,0,0,1,0|0,0,2]=4 127 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O Z1255431202 [0,1,0,0,1,0|0,1,1]=4 128 B11R0.145 COC(=O)N(C)CCCC(=O)O Z382705220 [0,1,0,0,0,1|2,0,0]=4 129 B11R0.150 CC(SC[C@H](N)C(=O)O)C(=O)O Z4607373725 [0,1,0,0,0,1|1,0,1]=4 130 B11R0.201 COC(=O)CCC(C)(C)C(=O)O Z1262512264 [0,2,0,0,0,0|1,0,1]=4 131 B11R0.288 COC(=O)C(C)(C)CCC(=O)O Z1198331064 [0,2,0,0,0,0|1,0,1]=4 132 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC Z1809258545 [0,2,0,0,0,0|1,0,1]=4 133 B11R0.120 COC(=O)CNC(=O)C(=O)OC Z275980698 [0,2,0,0,0,0|1,0,0]=3 134 B9R1.6 O=C(O)C1=COCCC1 Z1013753084 [1,0,0,1,0,0|1,0,1]=4 135 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [1,0,0,1,0,0|1,0,1]=4 136 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [1,0,0,1,0,0|1,0,1]=4 137 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [1,0,0,1,0,0|0,0,2]=4 138 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [1,0,0,1,0,0|0,1,1]=4 139 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [1,0,0,1,0,0|1,0,1]=4 140 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [1,0,0,1,0,0|1,0,1]=4 141 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Z1955831192 [1,0,0,1,0,0|1,0,1]=4 142 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Z1198723936 [1,0,0,1,0,0|0,0,1]=3 143 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Z1955918485 [1,0,0,1,0,0|0,0,1]=3 144 B11R1.74 O=C1CC(CC(=O)N1)C(=O)O Z337709370 [0,0,0,1,0,1|1,0,0]=3 145 B11R1.74 O=C1C[C@H](NC(=O)N1)C(=O)O Z1198153153 [0,0,0,1,0,1|1,0,0]=3 146 B11R1.75 CC1=CC(=NO1)CCC(=O)O Z1216839860 [0,0,0,1,0,1|2,0,0]=4 147 B11R1.75 O=C(O)CCC1=CNC(=O)N1 Z1262517531 [0,0,0,1,0,1|2,0,0]=4 148 B11R1.75 O=C(O)CCC1=NC(=O)NN1 Z1695669919 [0,0,0,1,0,1|2,0,0]=4 149 B11R1.645 NC1=NC(=O)C(S1)CC(=O)O Z56347312 [0,0,0,1,0,1|1,1,0]=4 150 B11R1.645 O=C(O)CC1NC(=O)NC1=O Z57662377 [0,0,0,1,0,1|1,0,0]=3 151 B11R1.645 O=C(O)CC1SC(=O)NC1=O Z57178766 [0,0,0,1,0,1|0,1,0]=3 152 B11R1.645 O=C(O)CN1CC(=O)NC1=O Z1143271959 [0,0,0,1,0,1|2,0,0]=4 153 B11R1.175 O=C(O)C1CCC(C1)C(=O)O Z274502046 [0,0,0,1,0,1|1,0,1]=4 154 B11R1.175 O=C(O)C1CCC(O1)C(=O)O Z1198155989 [0,0,0,1,0,1|0,0,2]=4 155 B11R1.175 O=C(O)[C@@H]1CC[C@@H](O1)C(=O)O Z1262511442 [0,0,0,1,0,1|0,0,2]=4 156 B11R1.175 O=C(O)[C@H]1CC[C@H](C1)C(=O)O Z1954802631 [0,0,0,1,0,1|1,0,1]=4 157 B11R1.1389 N[C@@]1(C[C@@H](C1)C(=O)O)C(=O)O Z1270392248 [0,1,0,1,0,0|1,0,1]=4 158 B11R1.1389 O=C(O)[C@H]1C[C@](C1)(O)C(=O)O Z3271169452 [0,1,0,1,0,0|0,0,2]=4 159 B11R1.48 CON1CC(CC1=O)C(=O)O Z1649358097 [0,1,0,1,0,0|2,0,0]=4 160 B11R1.90 O=C(O)CCN1CCOC1=O Z323040334 [0,1,0,1,0,0|2,0,0]=4 161 B7R0.2 CNC(=O)CC(=O)O Z963467722 [1,0,0,0,1,0|2,0,0]=4 162 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,0,0,0,2,0|1,0,1]=4 163 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,0,0,0,2,0|0,0,2]=4 164 B9R0.55 NC(=O)CCCCC(=O)O Z429601664 [1,0,0,0,0,1|1,0,1]=4 165 B9R0.55 NC(=O)CSCCC(=O)O Z17834964 [1,0,0,0,0,1|1,0,1]=4 166 B9R0.55 NC(=O)NCCCC(=O)O Z56912008 [1,0,0,0,0,1|1,0,1]=4 167 B9R0.55 O=C(O)CCCCC(=O)O Z57127533 [1,0,0,0,0,1|0,0,1]=3 168 B11R0.85 CC(=O)NCC(=O)NCC(=O)O Z85906528 [0,0,0,0,0,2|2,0,0]=4 169 B11R0.85 CN(CCC(=O)O)CCC(=O)O Z1459937563 [0,0,0,0,0,2|2,0,0]=4 170 B11R0.85 O=C(O)CCC(=O)NCC(=O)O Z608592516 [0,0,0,0,0,2|0,0,0]=2 171 B11R0.85 O=C(O)CCS(=O)CCC(=O)O Z1198160459 [0,0,0,0,0,2|1,0,0]=3 172 B11R0.29 N=C(N)NCCCC(=O)C(=O)O Z1262513238 [0,0,0,0,0,2|2,0,0]=4