0 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O Z1198157053 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.53 CC(C)CC(C)CC(=O)O Z352782544 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.53 CC(C)CC(N)CC(=O)O Z3251695059 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.53 CC(CC(=O)O)CC(=O)O Z1041180516 [0,0,0,0,0,0|1,0,0]=1 4 B9R0.53 CC(CC(=O)O)CN(C)C Z2824350104 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.53 CC(CC(=O)O)NC(=O)N Z398943198 [0,0,0,0,0,0|3,0,0]=3 6 B9R0.53 CN(CC(=O)O)CC(=O)O Z119894774 [0,0,0,0,0,0|2,0,0]=2 7 B9R0.53 O=C(O)CC(O)CC(=O)O Z1198167174 [0,0,0,0,0,0|0,0,0]=0 8 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.5 CCCC(C)CC(=O)O Z352782810 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.5 CCCC(O)CC(=O)O Z982132146 [1,0,0,0,0,0|1,0,1]=3 11 B8R0.5 COCC(C)CC(=O)O Z992443864 [1,0,0,0,0,0|3,0,0]=4 12 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [1,0,0,0,0,0|1,0,0]=2 14 B8R0.28 CC(=O)CSCC(=O)[O-] Z1359429555 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.28 CC(C)CCCC(=O)O Z426022098 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [1,0,0,0,0,0|1,0,2]=4 20 B8R0.28 N=C(N)NCCC(=O)O Z959165114 [1,0,0,0,0,0|3,0,0]=4 21 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [1,0,0,0,0,0|1,0,0]=2 22 B8R0.28 NC(=O)CNCC(=O)N Z162774608 [1,0,0,0,0,0|3,0,0]=4 23 B8R0.28 NC(=O)CNCC(=O)O Z4658099947 [1,0,0,0,0,0|2,0,0]=3 24 B8R0.28 NC(=O)CSCC(=O)O Z19691778 [1,0,0,0,0,0|2,0,0]=3 25 B8R0.28 NC(=O)NCCC(=O)O Z56347556 [1,0,0,0,0,0|2,0,0]=3 26 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [1,0,0,0,0,0|0,0,0]=1 27 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [1,0,0,0,0,0|1,0,0]=2 28 B8R0.28 O=C(O)COCC(=O)O Z57965384 [1,0,0,0,0,0|1,0,0]=2 29 B8R0.28 O=C(O)CSCC(=O)O Z104478584 [1,0,0,0,0,0|1,0,0]=2 30 B10R0.31 CS(=O)(=O)C[C@H](O)CC(=O)O Z3271509641 [0,1,0,0,0,0|1,0,1]=3 31 B10R0.165 CC(C)(CC(=O)O)CC(=O)O Z104510054 [0,1,0,0,0,0|1,0,0]=2 32 B10R0.165 O=C(O)CC(F)(F)CC(=O)O Z56827438 [0,1,0,0,0,0|1,0,0]=2 33 B10R0.165 O=C(O)CS(=O)(=O)CC(=O)O Z1198149360 [0,1,0,0,0,0|1,0,1]=3 34 B10R1.54 O=C(O)CC1=NNC(=O)C1 Z381006232 [0,0,0,1,0,0|2,0,1]=4 35 B10R1.54 O=C(O)CC1CNC(=O)C1 Z1203747646 [0,0,0,1,0,0|2,0,0]=3 36 B10R1.54 O=C(O)CC1COC(=O)C1 Z1205494290 [0,0,0,1,0,0|1,0,0]=2 37 B10R1.59 CC1CC(=O)NC1C(=O)O Z1198179510 [0,0,0,1,0,0|2,0,0]=3 38 B10R1.59 CC1CC(C(O1)C(=O)O)C Z1947908132 [0,0,0,1,0,0|2,0,1]=4 39 B10R1.59 CC1OC(=O)NC1C(=O)O Z1203735062 [0,0,0,1,0,0|3,0,0]=4 40 B10R1.59 N[C@@H]1C[C@@H](C[C@@H]1C(=O)O)O Z2939860921 [0,0,0,1,0,0|2,0,1]=4 41 B10R1.282 C=C1[C@@H]([C@H]1C(=O)O)C(=O)O Z2306725862 [0,0,0,1,0,0|1,0,1]=3 42 B10R1.282 CC1[C@@H]([C@H]1C(=O)O)C(=O)O Z2311222768 [0,0,0,1,0,0|1,0,0]=2 43 B10R1.371 O=C(O)CC1CS(=O)(=O)C1 Z1551962059 [0,0,0,1,0,0|2,0,1]=4 44 B8R0.23 C/C(=C\C(=O)O)/C(=O)O Z104476308 [0,0,0,0,1,0|1,0,2]=4 45 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [0,0,0,0,1,0|3,0,0]=4 46 B8R0.23 C=C(CC(=O)O)C(=O)O Z57127539 [0,0,0,0,1,0|1,0,1]=3 47 B8R0.23 C=C(Cl)CC(N)C(=O)O Z2689845474 [0,0,0,0,1,0|3,0,0]=4 48 B8R0.23 CC(=O)N(C)CC(=O)O Z85895184 [0,0,0,0,1,0|3,0,0]=4 49 B8R0.23 CC(=O)NC(C)C(=O)O Z104483794 [0,0,0,0,1,0|3,0,0]=4 50 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Z98655371 [0,0,0,0,1,0|3,0,0]=4 51 B8R0.23 CC(=O)N[C@H](C)C(=O)O Z829930658 [0,0,0,0,1,0|3,0,0]=4 52 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [0,0,0,0,1,0|2,0,0]=3 53 B8R0.23 CC(CC(=O)O)C(=O)N Z1203579878 [0,0,0,0,1,0|2,0,0]=3 54 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [0,0,0,0,1,0|3,0,0]=4 55 B8R0.23 CC(NC(=O)N)C(=O)O Z56858169 [0,0,0,0,1,0|3,0,0]=4 56 B8R0.23 CN(C)CC(O)C(=O)O Z1205494800 [0,0,0,0,1,0|3,0,0]=4 57 B8R0.23 CN(CC(=O)O)C(=O)N Z126513734 [0,0,0,0,1,0|3,0,0]=4 58 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [0,0,0,0,1,0|2,0,0]=3 59 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [0,0,0,0,1,0|2,0,0]=3 60 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [0,0,0,0,1,0|2,0,0]=3 61 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [0,0,0,0,1,0|2,0,0]=3 62 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [0,0,0,0,1,0|1,0,0]=2 63 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [0,0,0,0,1,0|1,0,0]=2 64 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [0,0,0,0,1,0|1,0,0]=2 65 B8R0.23 O=C(O)/C=C(\I)/C(=O)O Z540727104 [0,0,0,0,1,0|1,0,2]=4 66 B8R0.23 O=C(O)CC(=O)C(=O)O Z271128590 [0,0,0,0,1,0|0,0,2]=3 67 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,0,0,0,1,0|0,0,0]=1 68 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [0,0,0,0,1,0|0,1,0]=2 69 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,0,0,0,1,0|0,0,0]=1 70 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,0,0,0,1,0|0,0,0]=1 71 B10R0.96 CC(CCC(=O)O)CC(=O)O Z104477714 [0,0,0,0,0,1|1,0,0]=2 72 B7R0.2 CC(CN)CC(=O)O Z1436472873 [2,0,0,0,0,0|2,0,0]=4 73 B7R0.2 CCC(C)CC(=O)O Z352782882 [2,0,0,0,0,0|1,0,1]=4 74 B7R0.2 CCC(N)CC(=O)O Z1708090940 [2,0,0,0,0,0|1,0,1]=4 75 B7R0.2 NCC(O)CC(=O)O Z1255390571 [2,0,0,0,0,0|1,0,0]=3 76 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [2,0,0,0,0,0|1,0,0]=3 77 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [2,0,0,0,0,0|1,0,0]=3 78 B7R0.4 C=CCCCC(=O)O Z1205493561 [2,0,0,0,0,0|1,0,0]=3 79 B7R0.4 C=CCNCC(=O)O Z803145546 [2,0,0,0,0,0|2,0,0]=4 80 B7R0.4 C=CCOCC(=O)O Z362807794 [2,0,0,0,0,0|2,0,0]=4 81 B7R0.4 C=CCSCC(=O)O Z149151274 [2,0,0,0,0,0|2,0,0]=4 82 B7R0.4 CCCCCC(=O)O Z104503532 [2,0,0,0,0,0|1,0,1]=4 83 B7R0.4 CNCCCC(=O)O Z57043473 [2,0,0,0,0,0|2,0,0]=4 84 B7R0.4 COCCCC(=O)O Z316258912 [2,0,0,0,0,0|2,0,0]=4 85 B7R0.4 CSCCCC(=O)O Z54602911 [2,0,0,0,0,0|2,0,0]=4 86 B7R0.4 N#CCCCC(=O)O Z1198152304 [2,0,0,0,0,0|1,0,1]=4 87 B7R0.4 NCCCCC(=O)O Z271111992 [2,0,0,0,0,0|1,0,1]=4 88 B7R0.4 O=C(O)CCCCBr Z104479696 [2,0,0,0,0,0|1,0,1]=4 89 B7R0.4 O=C(O)CCCCS Z808230828 [2,0,0,0,0,0|0,1,1]=4 90 B7R0.4 O=C(O)CNCCO Z425411352 [2,0,0,0,0,0|1,0,1]=4 91 B7R0.4 O=C([O-])CCCCO Z2335631573 [2,0,0,0,0,0|0,0,2]=4 92 B9R0.4 CC(CC(=O)O)NCCO Z431539096 [1,1,0,0,0,0|1,0,1]=4 93 B9R0.23 CCC(C)C(O)CC(=O)O Z982132268 [1,1,0,0,0,0|1,0,1]=4 94 B9R0.1 CCC(=O)NCCC(=O)O Z85914366 [1,1,0,0,0,0|2,0,0]=4 95 B9R0.1 CN(CCCC(=O)O)N=O Z1198155577 [1,1,0,0,0,0|2,0,0]=4 96 B9R0.1 CNC(=O)CCCC(=O)[O-] Z1625822283 [1,1,0,0,0,0|1,0,1]=4 97 B9R0.1 COC(=O)CCCC(=O)O Z203045008 [1,1,0,0,0,0|0,0,0]=2 98 B9R0.1 COC(=O)CCCS(=O)C Z802572168 [1,1,0,0,0,0|2,0,0]=4 99 B9R0.1 COC(=O)CSCC(=O)O Z65933549 [1,1,0,0,0,0|1,0,0]=3 100 B9R0.1 COC(=O)NCCC(=O)O Z192954732 [1,1,0,0,0,0|1,0,0]=3 101 B9R0.1 O=C(O)CCNC(=O)CO Z1203746027 [1,1,0,0,0,0|1,0,0]=3 102 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [1,1,0,0,0,0|1,0,0]=3 103 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [1,1,0,0,0,0|2,0,0]=4 104 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [1,1,0,0,0,0|1,0,0]=3 105 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [1,1,0,0,0,0|1,0,0]=3 106 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [1,1,0,0,0,0|1,0,0]=3 107 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [1,1,0,0,0,0|0,0,0]=2 108 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [1,1,0,0,0,0|0,0,0]=2 109 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [1,1,0,0,0,0|0,0,0]=2 110 B9R0.7 O=C(O)CCC(=O)C(=O)O Z57127547 [1,1,0,0,0,0|0,0,1]=3 111 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] Z3767523054 [1,1,0,0,0,0|0,0,2]=4 112 B9R0.56 CS(=O)(=O)CCCC(=O)O Z732206736 [1,1,0,0,0,0|1,0,1]=4 113 B9R0.56 NS(=O)(=O)CCCC(=O)O Z351064580 [1,1,0,0,0,0|1,0,1]=4 114 B9R0.56 O=C(O)CCCP(=O)(O)O Z1255431129 [1,1,0,0,0,0|1,0,0]=3 115 B9R0.56 O=C(O)CNCP(=O)(O)O Z3225522739 [1,1,0,0,0,0|2,0,0]=4 116 B9R0.11 CC(=O)CC(C)(C)C(=O)O Z1205493714 [0,1,0,0,1,0|2,0,0]=4 117 B9R0.11 CC(O)(CC(=O)O)C(=O)O Z1255442426 [0,1,0,0,1,0|0,0,0]=2 118 B9R0.39 CC(=O)NC(CO)C(=O)O Z239132792 [0,1,0,0,1,0|2,0,0]=4 119 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [0,1,0,0,1,0|1,0,0]=3 120 B9R0.39 NC(=O)NC(CO)C(=O)O Z57009601 [0,1,0,0,1,0|2,0,0]=4 121 B9R0.39 NCC(CC(=O)O)C(=O)O Z1532540523 [0,1,0,0,1,0|1,0,0]=3 122 B9R0.42 C=C(CC(=O)OC)C(=O)O Z1201617378 [0,1,0,0,1,0|1,0,1]=4 123 B9R0.42 C=CC(=O)NC(O)C(=O)O Z1203731084 [0,1,0,0,1,0|2,0,0]=4 124 B9R0.42 CCC(=O)CC(N)C(=O)O Z1820077230 [0,1,0,0,1,0|2,0,0]=4 125 B9R0.42 COC(=O)C[C@H](N)C(=O)O Z1079458540 [0,1,0,0,1,0|1,0,0]=3 126 B9R0.42 O=C(O)C(O)CC(O)CO Z1262514590 [0,1,0,0,1,0|0,0,2]=4 127 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Z1198149799 [0,1,0,0,1,0|2,0,0]=4 128 B9R0.57 O=C(O)C(O)CS(=O)(=O)O Z1198232967 [0,1,0,0,1,0|1,0,0]=3 129 B9R0.79 CC(C(=O)O)C(C)C(=O)O Z1205493640 [0,1,0,0,1,0|1,0,0]=3 130 B9R0.79 O=C(O)C(O)C(O)C(=O)O Z104473036 [0,1,0,0,1,0|0,0,0]=2 131 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Z1147451575 [0,1,0,0,1,0|0,0,0]=2 132 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Z1147451717 [0,1,0,0,1,0|0,0,0]=2 133 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O Z1255431202 [0,1,0,0,1,0|0,1,0]=3 134 B11R0.232 CC(=O)OCC(C)(C)CC(=O)O Z1262553534 [0,1,0,0,0,1|2,0,0]=4 135 B11R0.110 COC(=O)CC(=O)CC(=O)OC Z104478016 [0,2,0,0,0,0|0,0,2]=4 136 B11R0.255 CC(C)(CC(=O)O)CC(=O)CN Z4131382001 [0,2,0,0,0,0|2,0,0]=4 137 B11R0.255 COC(=O)CC(C)(C)CC(=O)O Z1262511250 [0,2,0,0,0,0|1,0,0]=3 138 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O Z98657516 [0,2,0,0,0,0|2,0,0]=4 139 B11R0.32 O=C(O)/C=C(/CC(=O)O)\C(=O)O Z57204893 [0,2,0,0,0,0|0,0,2]=4 140 B11R0.32 O=C(O)CC(CC(=O)O)C(=O)O Z1255419161 [0,2,0,0,0,0|0,0,0]=2 141 B11R0.35 C#CCN(CC(=O)O)CC(=O)O Z2756012694 [0,2,0,0,0,0|2,0,0]=4 142 B11R0.210 CCC(C)(CC(=O)O)CC(=O)O Z104442530 [0,2,0,0,0,0|1,0,0]=3 143 B9R1.13 O=C(O)CC1CCOC1 Z825745916 [1,0,0,1,0,0|1,0,1]=4 144 B9R1.13 O=C(O)C[C@@H]1CCCO1 Z1862025858 [1,0,0,1,0,0|1,0,1]=4 145 B9R1.13 O=C(O)C[C@H]1CCOC1 Z1205495408 [1,0,0,1,0,0|1,0,1]=4 146 B9R1.34 CC1CC(=O)NC(=O)C1 Z1041181212 [1,0,0,1,0,0|2,0,0]=4 147 B9R1.34 NC1CC(=O)NC(=O)C1 Z2867491050 [1,0,0,1,0,0|2,0,0]=4 148 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O Z2937968219 [1,0,0,1,0,0|1,0,1]=4 149 B9R1.41 O=C(O)C1CCCC1O Z1080722426 [1,0,0,1,0,0|1,0,1]=4 150 B9R1.53 CC(=O)CC1CC(=O)N1 Z1203732573 [1,0,0,1,0,0|2,0,0]=4 151 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [1,0,0,1,0,0|1,0,1]=4 152 B9R1.35 O=C1CC(CN1)C(=O)O Z239137534 [1,0,0,1,0,0|2,0,0]=4 153 B9R1.35 O=C1CC(CO1)C(=O)O Z1205493721 [1,0,0,1,0,0|2,0,0]=4 154 B9R1.35 O=C1CC(CS1)C(=O)O Z1201622329 [1,0,0,1,0,0|2,0,0]=4 155 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [1,0,0,1,0,0|1,0,0]=3 156 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [1,0,0,1,0,0|1,0,0]=3 157 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [1,0,0,1,0,0|0,0,0]=2 158 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [1,0,0,1,0,0|0,1,0]=3 159 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [1,0,0,1,0,0|1,0,0]=3 160 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [1,0,0,1,0,0|1,0,0]=3 161 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [1,0,0,1,0,0|2,0,0]=4 162 B9R1.35 O=C1COC(C1)C(=O)O Z3002628864 [1,0,0,1,0,0|2,0,0]=4 163 B9R1.35 O=C1NC(CO1)C(=O)O Z1201627960 [1,0,0,1,0,0|2,0,0]=4 164 B9R1.35 O=C1NC(CS1)C(=O)O Z199409846 [1,0,0,1,0,0|2,0,0]=4 165 B9R1.35 O=C1NCC(N1)C(=O)O Z1162470818 [1,0,0,1,0,0|2,0,0]=4 166 B9R1.35 O=C1NCC(O1)C(=O)O Z1203735066 [1,0,0,1,0,0|1,0,0]=3 167 B9R1.35 O=C1N[C@@H](CS1)C(=O)O Z203038562 [1,0,0,1,0,0|2,0,0]=4 168 B9R1.35 O=C1OCC(O1)C(=O)O Z1889707900 [1,0,0,1,0,0|1,0,0]=3 169 B9R1.49 O=C1CCCC(=O)NC1 Z1255404954 [1,0,0,1,0,0|2,0,0]=4 170 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Z1955831192 [1,0,0,1,0,0|1,0,0]=3 171 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Z1198723936 [1,0,0,1,0,0|0,0,0]=2 172 B9R1.161 O=C(O)[C@@H]1C[C@H]1[N+](=O)[O-] Z2309898871 [1,0,0,1,0,0|1,0,1]=4 173 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Z1955918485 [1,0,0,1,0,0|0,0,0]=2 174 B9R1.152 NC1(CC(=O)C1)C(=O)O Z4578587092 [0,0,0,1,1,0|2,0,0]=4 175 B11R1.20 O=C(O)CC1CCC(=O)CC1 Z1198235241 [0,0,0,1,0,1|2,0,0]=4 176 B11R1.20 O=C(O)CC1CCC(=O)NC1 Z1416171278 [0,0,0,1,0,1|2,0,0]=4 177 B11R1.74 C[C@H]1CC(=O)N[C@H](C1)C(=O)O Z2311222788 [0,0,0,1,0,1|2,0,0]=4 178 B11R1.166 CC1CC(=O)CCC1C(=O)O Z1262519171 [0,1,0,1,0,0|2,0,0]=4 179 B11R1.313 C[C@H]1C(=O)CC[C@@H]1CC(=O)O Z4287087572 [0,1,0,1,0,0|2,0,0]=4 180 B11R1.157 O=C(O)CC1CCCC(=O)C1 Z907709938 [0,1,0,1,0,0|2,0,0]=4 181 B11R1.732 CC(=O)[C@@H]1[C@H](C1(C)C)C(=O)O Z4283449312 [0,1,0,1,0,0|2,0,0]=4 182 B11R1.732 CC1([C@H]([C@H]1C(=O)O)C(=O)O)C Z1198166016 [0,1,0,1,0,0|1,0,0]=3 183 B11R2.66 O=C1C[C@@H]2CCC(=O)[C@@H]2O1 Z4417659299 [0,0,0,2,0,0|2,0,0]=4 184 B11R2.530 O=C(O)[C@@H]1[C@@H]2[C@H]1C(=O)NC2 Z4164710568 [0,0,0,2,0,0|2,0,0]=4 185 B11R2.612 O=C1N[C@H]([C@@H]2[C@H]1C2)C(=O)O Z3638167617 [0,0,0,2,0,0|2,0,0]=4 186 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [1,0,0,0,1,0|1,0,1]=4 187 B7R0.5 C=CCC(N)C(=O)O Z317024964 [1,0,0,0,1,0|2,0,0]=4 188 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [1,0,0,0,1,0|2,0,0]=4 189 B7R0.5 CC(NC=O)C(=O)O Z56757230 [1,0,0,0,1,0|2,0,0]=4 190 B7R0.5 NC(CCO)C(=O)O Z234896487 [1,0,0,0,1,0|1,0,1]=4 191 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [1,0,0,0,1,0|1,0,1]=4 192 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [1,0,0,0,1,0|1,0,1]=4 193 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [1,0,0,0,1,0|1,0,1]=4 194 B7R0.6 CC(=O)CCC(=O)O Z104477318 [1,0,0,0,1,0|1,0,0]=3 195 B7R0.6 CC(=O)NCC(=O)O Z85886676 [1,0,0,0,1,0|2,0,0]=4 196 B7R0.6 CC(O)CCC(=O)O Z838959470 [1,0,0,0,1,0|1,0,1]=4 197 B7R0.6 CS(=O)CCC(=O)O Z667974346 [1,0,0,0,1,0|2,0,0]=4 198 B7R0.6 NC(=O)NCC(=O)O Z57009586 [1,0,0,0,1,0|2,0,0]=4 199 B7R0.6 O=C(O)/C=C/C(=O)O Z57127460 [1,0,0,0,1,0|0,0,2]=4 200 B7R0.6 O=C(O)CCC(=O)O Z57127453 [1,0,0,0,1,0|0,0,0]=2 201 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,0,0,0,2,0|1,0,0]=3 202 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,0,0,0,2,0|0,0,0]=2 203 B9R0.55 NC(=O)CCCCC(=O)O Z429601664 [1,0,0,0,0,1|1,0,0]=3 204 B9R0.55 NC(=O)CSCCC(=O)O Z17834964 [1,0,0,0,0,1|1,0,0]=3 205 B9R0.55 NC(=O)NCCCC(=O)O Z56912008 [1,0,0,0,0,1|1,0,0]=3 206 B9R0.55 O=C(O)CCCCC(=O)O Z57127533 [1,0,0,0,0,1|0,0,0]=2 207 B11R0.85 CN(CCC(=O)O)CCC(=O)O Z1459937563 [0,0,0,0,0,2|2,0,0]=4 208 B11R0.85 O=C(O)CCC(=O)NCC(=O)O Z608592516 [0,0,0,0,0,2|0,0,2]=4 209 B11R0.85 O=C(O)CCS(=O)CCC(=O)O Z1198160459 [0,0,0,0,0,2|1,0,1]=4