0 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [0,0,0,0,0,0|1,0,0]=1 2 B8R0.28 CC(=O)CSCC(=O)[O-] Z1359429555 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [0,0,0,0,0,0|2,0,0]=2 5 B8R0.28 CC(C)CCCC(=O)O Z426022098 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.28 CC(C)CNCC(=O)O Z1259273209 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.28 CC(C)CSCC(=O)O Z96112845 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.28 CC(C)NCCC(=O)O Z235348215 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.28 CC(C)OCCC(=O)O Z316259248 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [0,0,0,0,0,0|2,0,1]=3 11 B8R0.28 CC(N)COCC(=O)O Z3789755599 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [0,0,0,0,0,0|1,0,2]=3 13 B8R0.28 CC(O)CNCC(=O)[O-] Z3690977946 [0,0,0,0,0,0|2,0,2]=4 14 B8R0.28 N=C(N)NCCC(=O)O Z959165114 [0,0,0,0,0,0|3,0,0]=3 15 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [0,0,0,0,0,0|1,0,0]=1 16 B8R0.28 NC(=O)CNCC(=O)N Z162774608 [0,0,0,0,0,0|3,0,0]=3 17 B8R0.28 NC(=O)CNCC(=O)O Z4658099947 [0,0,0,0,0,0|2,0,0]=2 18 B8R0.28 NC(=O)CSCC(=O)O Z19691778 [0,0,0,0,0,0|2,0,0]=2 19 B8R0.28 NC(=O)NCCC(=O)O Z56347556 [0,0,0,0,0,0|2,0,0]=2 20 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [0,0,0,0,0,0|0,0,0]=0 21 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [0,0,0,0,0,0|1,0,0]=1 22 B8R0.28 O=C(O)COCC(=O)O Z57965384 [0,0,0,0,0,0|1,0,0]=1 23 B8R0.28 O=C(O)CSCC(=O)O Z104478584 [0,0,0,0,0,0|1,0,0]=1 24 B7R0.4 C#CCNCC(=O)O Z2513337624 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.4 C#CCOCC(=O)O Z362807246 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.4 C#CCSCC(=O)O Z149151642 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.4 C=CCCCC(=O)O Z1205493561 [1,0,0,0,0,0|1,0,0]=2 28 B7R0.4 C=CCNCC(=O)O Z803145546 [1,0,0,0,0,0|2,0,0]=3 29 B7R0.4 C=CCOCC(=O)O Z362807794 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.4 C=CCSCC(=O)O Z149151274 [1,0,0,0,0,0|2,0,0]=3 31 B7R0.4 CC#CCCC(=O)O Z1205493674 [1,0,0,0,0,0|1,0,2]=4 32 B7R0.4 CC(=O)NCCCO Z353570744 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.4 CCCCCC(=O)O Z104503532 [1,0,0,0,0,0|1,0,1]=3 34 B7R0.4 CCCNCC(=O)O Z744582718 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.4 CCCOCC(=O)O Z406677750 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.4 CCCSCC(=O)O Z228425458 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.4 CCNCCC(=O)O Z1869802098 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.4 CCOCCC(=O)O Z316258938 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.4 CCSCCC(=O)O Z197206046 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.4 CNCCCC(=O)O Z57043473 [1,0,0,0,0,0|2,0,0]=3 41 B7R0.4 COCCCC(=O)C Z406376722 [1,0,0,0,0,0|3,0,0]=4 42 B7R0.4 COCCCC(=O)O Z316258912 [1,0,0,0,0,0|2,0,0]=3 43 B7R0.4 CSCCCC(=O)O Z54602911 [1,0,0,0,0,0|2,0,0]=3 44 B7R0.4 N#CCCCC(=O)O Z1198152304 [1,0,0,0,0,0|1,0,1]=3 45 B7R0.4 N#CCSCC(=O)O Z19691779 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.4 NC(=O)COCCO Z1198148880 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.4 NC(=O)NCCCO Z198194722 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.4 NCCCCC(=O)N Z1639630947 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.4 NCCCCC(=O)O Z271111992 [1,0,0,0,0,0|1,0,1]=3 50 B7R0.4 NCCNCC(=O)O Z2692249907 [1,0,0,0,0,0|2,0,1]=4 51 B7R0.4 NCCOCC(=O)O Z1650039500 [1,0,0,0,0,0|2,0,1]=4 52 B7R0.4 NCCSCC(=O)O Z1381287295 [1,0,0,0,0,0|2,0,1]=4 53 B7R0.4 O=C(O)CCCCBr Z104479696 [1,0,0,0,0,0|1,0,1]=3 54 B7R0.4 O=C(O)CCCCS Z808230828 [1,0,0,0,0,0|0,1,1]=3 55 B7R0.4 O=C(O)CNCCO Z425411352 [1,0,0,0,0,0|1,0,1]=3 56 B7R0.4 O=C([O-])CCCCO Z2335631573 [1,0,0,0,0,0|0,0,2]=3 57 B7R0.4 O=C([O-])COCCO Z1744715804 [1,0,0,0,0,0|1,0,2]=4 58 B9R0.1 C=CC(=O)NCCC(=O)[O-] Z1474026249 [0,1,0,0,0,0|2,0,1]=4 59 B9R0.1 CCC(=O)NCCC(=O)O Z85914366 [0,1,0,0,0,0|2,0,0]=3 60 B9R0.1 CN(CCCC(=O)O)N=O Z1198155577 [0,1,0,0,0,0|2,0,0]=3 61 B9R0.1 CNC(=O)CCCC(=O)[O-] Z1625822283 [0,1,0,0,0,0|1,0,1]=3 62 B9R0.1 COC(=O)CCCC(=O)O Z203045008 [0,1,0,0,0,0|0,0,0]=1 63 B9R0.1 COC(=O)CCCS(=O)C Z802572168 [0,1,0,0,0,0|2,0,0]=3 64 B9R0.1 COC(=O)CSCC(=O)O Z65933549 [0,1,0,0,0,0|1,0,0]=2 65 B9R0.1 COC(=O)NCCC(=O)O Z192954732 [0,1,0,0,0,0|1,0,0]=2 66 B9R0.1 O=C(O)CCNC(=O)CO Z1203746027 [0,1,0,0,0,0|1,0,0]=2 67 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [0,1,0,0,0,0|2,0,1]=4 68 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [0,1,0,0,0,0|1,0,0]=2 69 B9R0.7 CC(C)C(N)CCC(=O)O Z4607148563 [0,1,0,0,0,0|2,0,1]=4 70 B9R0.7 CC(C)CCC(N)C(=O)O Z1259339953 [0,1,0,0,0,0|2,0,1]=4 71 B9R0.7 CC(CCC(=O)O)N(C)C Z2732402258 [0,1,0,0,0,0|3,0,0]=4 72 B9R0.7 CC(CCN(C)C)C(=O)O Z2754060676 [0,1,0,0,0,0|3,0,0]=4 73 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [0,1,0,0,0,0|2,0,0]=3 74 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [0,1,0,0,0,0|1,0,0]=2 75 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [0,1,0,0,0,0|1,0,0]=2 76 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [0,1,0,0,0,0|1,0,0]=2 77 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [0,1,0,0,0,0|0,0,0]=1 78 B9R0.7 NC(CCC(=O)O)C(F)F Z2733335696 [0,1,0,0,0,0|2,0,1]=4 79 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [0,1,0,0,0,0|0,0,0]=1 80 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [0,1,0,0,0,0|0,0,0]=1 81 B9R0.7 O=C(O)CCC(=O)C(=O)O Z57127547 [0,1,0,0,0,0|0,0,1]=2 82 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] Z3767523054 [0,1,0,0,0,0|0,0,2]=3 83 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O Z1198157053 [0,1,0,0,0,0|0,0,2]=3 84 B9R0.53 CC(C)CC(C)CC(=O)O Z352782544 [0,1,0,0,0,0|2,0,1]=4 85 B9R0.53 CC(C)CC(N)CC(=O)O Z3251695059 [0,1,0,0,0,0|2,0,1]=4 86 B9R0.53 CC(CC(=O)O)CC(=O)O Z1041180516 [0,1,0,0,0,0|0,0,0]=1 87 B9R0.53 CC(CC(=O)O)CN(C)C Z2824350104 [0,1,0,0,0,0|3,0,0]=4 88 B9R0.53 CC(CC(=O)O)NC(=O)N Z398943198 [0,1,0,0,0,0|2,0,0]=3 89 B9R0.53 CN(CC(=O)O)CC(=O)O Z119894774 [0,1,0,0,0,0|1,0,0]=2 90 B9R0.53 O=C(O)CC(O)CC(=O)O Z1198167174 [0,1,0,0,0,0|0,0,0]=1 91 B9R0.56 CC(C)(C)CCCC(=O)O Z819995404 [0,1,0,0,0,0|2,0,1]=4 92 B9R0.56 CS(=O)(=O)CCCC(=O)O Z732206736 [0,1,0,0,0,0|1,0,1]=3 93 B9R0.56 CS(=O)(=O)NCCC(=O)O Z45674355 [0,1,0,0,0,0|2,0,1]=4 94 B9R0.56 NS(=O)(=O)CCCC(=O)O Z351064580 [0,1,0,0,0,0|1,0,1]=3 95 B9R0.56 O=C(O)CCCC(F)(F)F Z1201621744 [0,1,0,0,0,0|2,0,1]=4 96 B9R0.56 O=C(O)CCCP(=O)(O)O Z1255431129 [0,1,0,0,0,0|1,0,0]=2 97 B9R0.56 O=C(O)CNCP(=O)(O)O Z3225522739 [0,1,0,0,0,0|2,0,0]=3 98 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [0,0,0,1,0,0|2,0,1]=4 99 B9R1.35 CN1CCC(C1)C(=O)O Z406683232 [0,0,0,1,0,0|3,0,0]=4 100 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [0,0,0,1,0,0|2,0,1]=4 101 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [0,0,0,1,0,0|1,0,1]=3 102 B9R1.35 NC(=O)C1CNC(=O)C1 Z57248576 [0,0,0,1,0,0|3,0,0]=4 103 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O Z2307368779 [0,0,0,1,0,0|2,0,1]=4 104 B9R1.35 O=C(O)C1CCC(C1)F Z1981870592 [0,0,0,1,0,0|2,0,1]=4 105 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O Z2470415380 [0,0,0,1,0,0|2,0,1]=4 106 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O Z802856442 [0,0,0,1,0,0|2,0,1]=4 107 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O Z1201624589 [0,0,0,1,0,0|2,0,1]=4 108 B9R1.35 O=C1CC(CN1)C(=O)O Z239137534 [0,0,0,1,0,0|2,0,0]=3 109 B9R1.35 O=C1CC(CO1)C(=O)O Z1205493721 [0,0,0,1,0,0|2,0,0]=3 110 B9R1.35 O=C1CC(CS1)C(=O)O Z1201622329 [0,0,0,1,0,0|2,0,0]=3 111 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [0,0,0,1,0,0|1,0,0]=2 112 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [0,0,0,1,0,0|1,0,0]=2 113 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [0,0,0,1,0,0|0,0,0]=1 114 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [0,0,0,1,0,0|0,1,0]=2 115 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [0,0,0,1,0,0|1,0,0]=2 116 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [0,0,0,1,0,0|1,0,0]=2 117 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [0,0,0,1,0,0|2,0,0]=3 118 B9R1.35 O=C1COC(C1)C(=O)O Z3002628864 [0,0,0,1,0,0|2,0,0]=3 119 B9R1.35 O=C1NC(CO1)C(=O)O Z1201627960 [0,0,0,1,0,0|2,0,0]=3 120 B9R1.35 O=C1NC(CS1)C(=O)O Z199409846 [0,0,0,1,0,0|2,0,0]=3 121 B9R1.35 O=C1NCC(N1)C(=O)O Z1162470818 [0,0,0,1,0,0|2,0,0]=3 122 B9R1.35 O=C1NCC(O1)C(=O)O Z1203735066 [0,0,0,1,0,0|1,0,0]=2 123 B9R1.35 O=C1N[C@@H](CS1)C(=O)O Z203038562 [0,0,0,1,0,0|2,0,0]=3 124 B9R1.35 O=C1OCC(O1)C(=O)O Z1889707900 [0,0,0,1,0,0|1,0,0]=2 125 B9R1.49 O=C1CCCC(=O)NC1 Z1255404954 [0,0,0,1,0,0|2,0,0]=3 126 B9R1.49 O=C1CCCC(CN1)O Z1255401193 [0,0,0,1,0,0|2,0,1]=4 127 B9R1.53 CC(=O)CC1CC(=O)N1 Z1203732573 [0,0,0,1,0,0|2,0,0]=3 128 B9R1.53 CN1CC(C1)CC(=O)O Z2239020739 [0,0,0,1,0,0|3,0,0]=4 129 B9R1.53 NC1CC(C1)CC(=O)O Z2832014018 [0,0,0,1,0,0|2,0,1]=4 130 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O Z3032846287 [0,0,0,1,0,0|2,0,1]=4 131 B9R1.66 O=C1CCCS(=O)(=O)C1 Z1065610146 [0,0,0,1,0,0|2,0,1]=4 132 B9R1.66 O=C1CCCS(=O)(=O)N1 Z1201624740 [0,0,0,1,0,0|2,0,1]=4 133 B9R1.161 CC(C)C1CC1C(=O)O Z975823938 [0,0,0,1,0,0|2,0,1]=4 134 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Z1955831192 [0,0,0,1,0,0|1,0,0]=2 135 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Z1198723936 [0,0,0,1,0,0|0,0,0]=1 136 B9R1.161 O=C(O)[C@@H]1C[C@H]1[N+](=O)[O-] Z2309898871 [0,0,0,1,0,0|1,0,1]=3 137 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Z1955918485 [0,0,0,1,0,0|0,0,0]=1 138 B9R1.166 CC1(CCC1C(=O)O)C Z1205494629 [0,0,0,1,0,0|2,0,1]=4 139 B9R1.170 O=C(O)CC1CC1(Cl)Cl Z1262533734 [0,0,0,1,0,0|2,0,1]=4 140 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,0,0,0,1,0|1,0,0]=2 141 B7R0.6 CC(=O)NCC(=O)O Z85886676 [0,0,0,0,1,0|2,0,0]=3 142 B7R0.6 CC(C)CCC(=O)O Z56347204 [0,0,0,0,1,0|2,0,1]=4 143 B7R0.6 CC(N)CCC(=O)O Z1235963367 [0,0,0,0,1,0|2,0,1]=4 144 B7R0.6 CC(O)CCC(=O)O Z838959470 [0,0,0,0,1,0|1,0,1]=3 145 B7R0.6 CN(C)CCC(=O)O Z168912830 [0,0,0,0,1,0|3,0,0]=4 146 B7R0.6 CS(=O)CCC(=O)O Z667974346 [0,0,0,0,1,0|2,0,0]=3 147 B7R0.6 N=C(N)NCC(=O)O Z586248684 [0,0,0,0,1,0|3,0,0]=4 148 B7R0.6 N=C(N)SCC(=O)O Z2944342055 [0,0,0,0,1,0|3,0,0]=4 149 B7R0.6 NC(=O)NCC(=O)O Z57009586 [0,0,0,0,1,0|2,0,0]=3 150 B7R0.6 O=C(O)/C=C/C(=O)O Z57127460 [0,0,0,0,1,0|0,0,2]=3 151 B7R0.6 O=C(O)CCC(=O)O Z57127453 [0,0,0,0,1,0|0,0,0]=1 152 B7R0.6 O=C(O)CN[N+](=O)[O-] Z1198158238 [0,0,0,0,1,0|2,0,1]=4 153 B9R0.55 CC(=NOCCC(=O)O)C Z1205494264 [0,0,0,0,0,1|3,0,0]=4 154 B9R0.55 CC(C)CCCCC(=O)O Z1198148498 [0,0,0,0,0,1|2,0,1]=4 155 B9R0.55 CC(C)CCOCC(=O)O Z316259082 [0,0,0,0,0,1|2,0,1]=4 156 B9R0.55 CC(C)CCSCC(=O)O Z228589154 [0,0,0,0,0,1|2,0,1]=4 157 B9R0.55 CC(C)CNCCC(=O)O Z594038396 [0,0,0,0,0,1|2,0,1]=4 158 B9R0.55 CC(C)COCCC(=O)O Z316259216 [0,0,0,0,0,1|2,0,1]=4 159 B9R0.55 CC(C)CSCCC(=O)O Z54708723 [0,0,0,0,0,1|2,0,1]=4 160 B9R0.55 CC(C)NCCCC(=O)O Z235348217 [0,0,0,0,0,1|2,0,1]=4 161 B9R0.55 CC(C)OCCCC(=O)O Z316259254 [0,0,0,0,0,1|2,0,1]=4 162 B9R0.55 CC(N)CCCCC(=O)O Z1276446933 [0,0,0,0,0,1|2,0,1]=4 163 B9R0.55 CN(C)CCCCC(=O)O Z1259273153 [0,0,0,0,0,1|3,0,0]=4 164 B9R0.55 NC(=O)CCCCC(=O)O Z429601664 [0,0,0,0,0,1|1,0,0]=2 165 B9R0.55 NC(=O)CSCCC(=O)O Z17834964 [0,0,0,0,0,1|1,0,0]=2 166 B9R0.55 NC(=O)NCCCC(=O)O Z56912008 [0,0,0,0,0,1|1,0,0]=2 167 B9R0.55 O=C(O)CCCCC(=O)O Z57127533 [0,0,0,0,0,1|0,0,0]=1 168 B9R0.55 O=C(O)CCOCC(F)F Z1375308185 [0,0,0,0,0,1|2,0,1]=4 169 B6R0.4 C#CCCC(=O)O Z295890062 [2,0,0,0,0,0|0,0,2]=4 170 B6R0.4 C=CCCC(=O)C Z406376894 [2,0,0,0,0,0|1,0,1]=4 171 B6R0.4 C=CCCC(=O)O Z995028722 [2,0,0,0,0,0|0,0,1]=3 172 B6R0.4 CCCCC(=O)N Z104476278 [2,0,0,0,0,0|1,0,1]=4 173 B6R0.4 CCCCC(=O)O Z104473312 [2,0,0,0,0,0|0,0,1]=3 174 B6R0.4 CCNCC(=O)O Z744593094 [2,0,0,0,0,0|1,0,1]=4 175 B6R0.4 CCOCC(=O)O Z104495232 [2,0,0,0,0,0|1,0,1]=4 176 B6R0.4 COCCC(=O)O Z285184634 [2,0,0,0,0,0|1,0,1]=4 177 B6R0.4 CSCCC(=O)O Z54719251 [2,0,0,0,0,0|1,0,1]=4 178 B6R0.4 NC(=O)CCCO Z1203578394 [2,0,0,0,0,0|1,0,0]=3 179 B6R0.4 NC(=O)OCCO Z1198158440 [2,0,0,0,0,0|2,0,0]=4 180 B6R0.4 NCCCC(=O)N Z398513418 [2,0,0,0,0,0|2,0,0]=4 181 B6R0.4 NCCCC(=O)O Z104475620 [2,0,0,0,0,0|1,0,0]=3 182 B6R0.4 NCCCS(=O)O Z1203579399 [2,0,0,0,0,0|2,0,0]=4 183 B6R0.4 O=C(O)/C=C/CO Z3178016098 [2,0,0,0,0,0|0,0,2]=4 184 B6R0.4 O=C(O)C#CCO Z1198169479 [2,0,0,0,0,0|0,0,2]=4 185 B6R0.4 O=C(O)CCCS Z147642510 [2,0,0,0,0,0|0,1,0]=3 186 B6R0.6 O=CCCCC=O Z57127529 [2,0,0,0,0,0|0,0,0]=2 187 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [1,1,0,0,0,0|1,0,1]=4 188 B8R0.5 CCCC(C)CC(=O)O Z352782810 [1,1,0,0,0,0|1,0,1]=4 189 B8R0.5 CCCC(O)CC(=O)O Z982132146 [1,1,0,0,0,0|1,0,1]=4 190 B8R0.5 COCC(C)CC(=O)O Z992443864 [1,1,0,0,0,0|2,0,0]=4 191 B8R0.6 C=CCOCC(=O)OC Z362807786 [1,1,0,0,0,0|2,0,0]=4 192 B8R0.6 CCCCCC(=O)NO Z59181978 [1,1,0,0,0,0|1,0,1]=4 193 B8R0.6 CNCCCC(=O)OC Z415636552 [1,1,0,0,0,0|2,0,0]=4 194 B8R0.6 COC(=O)CCCC#N Z415715362 [1,1,0,0,0,0|1,0,1]=4 195 B8R0.6 COC(=O)CCCCN Z854942764 [1,1,0,0,0,0|1,0,1]=4 196 B8R0.7 C#CCCNCC(=O)O Z4916843541 [1,1,0,0,0,0|1,0,1]=4 197 B8R0.7 C#CCCOCC(=O)O Z1205655947 [1,1,0,0,0,0|1,0,1]=4 198 B8R0.7 C#CCOCCC(=O)O Z362807240 [1,1,0,0,0,0|1,0,1]=4 199 B8R0.7 C=CCCOCC(=O)O Z362807886 [1,1,0,0,0,0|1,0,0]=3 200 B8R0.7 C=CCNCCC(=O)O Z3388124649 [1,1,0,0,0,0|1,0,0]=3 201 B8R0.7 CC#CCCCC(=O)O Z1205494323 [1,1,0,0,0,0|1,0,1]=4 202 B8R0.7 CCCCCCC(=O)O Z104474412 [1,1,0,0,0,0|1,0,1]=4 203 B8R0.7 CCCCOCC(=O)O Z409190912 [1,1,0,0,0,0|1,0,1]=4 204 B8R0.7 CCCCSCC(=O)O Z239951532 [1,1,0,0,0,0|1,0,1]=4 205 B8R0.7 CCCNCCC(=O)O Z2944330072 [1,1,0,0,0,0|1,0,1]=4 206 B8R0.7 CCNCCCC(=O)O Z2937339976 [1,1,0,0,0,0|1,0,1]=4 207 B8R0.7 CCOCCCC(=O)O Z316258950 [1,1,0,0,0,0|1,0,1]=4 208 B8R0.7 CNCCCCC(=O)O Z3034937142 [1,1,0,0,0,0|1,0,1]=4 209 B8R0.7 COCCCCC(=O)O Z362633826 [1,1,0,0,0,0|0,0,1]=3 210 B8R0.7 COCCNCC(=O)O Z1276446903 [1,1,0,0,0,0|1,0,1]=4 211 B8R0.7 COCCOCC(=O)O Z104477918 [1,1,0,0,0,0|1,0,1]=4 212 B8R0.7 COCCSCC(=O)O Z167837764 [1,1,0,0,0,0|1,0,1]=4 213 B8R0.7 CSCCCCC(=O)O Z732206636 [1,1,0,0,0,0|0,1,1]=4 214 B8R0.7 CSCCNCC(=O)O Z2512524162 [1,1,0,0,0,0|2,0,0]=4 215 B8R0.7 N#CCCSCC(=O)O Z1205494587 [1,1,0,0,0,0|1,0,1]=4 216 B8R0.7 NCCCCCC(=O)O Z1272730910 [1,1,0,0,0,0|1,0,1]=4 217 B8R0.7 NCCCOCC(=O)O Z3178895188 [1,1,0,0,0,0|1,0,1]=4 218 B8R0.7 NCCOCCC(=O)O Z1262546494 [1,1,0,0,0,0|1,0,1]=4 219 B8R0.7 O=C(O)CCCCCBr Z104477716 [1,1,0,0,0,0|1,0,1]=4 220 B8R0.7 O=C(O)CCCCCF Z1205494157 [1,1,0,0,0,0|1,0,1]=4 221 B8R0.7 O=C(O)CCNCCO Z53116574 [1,1,0,0,0,0|0,0,1]=3 222 B8R0.7 O=C([O-])CNCCCO Z5147896273 [1,1,0,0,0,0|0,0,2]=4 223 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [1,1,0,0,0,0|1,0,1]=4 224 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [1,1,0,0,0,0|1,0,0]=3 225 B8R0.8 C=CCOC(C)C(=O)O Z362807816 [1,1,0,0,0,0|2,0,0]=4 226 B8R0.8 CCCCC(C)C(=O)O Z756390480 [1,1,0,0,0,0|1,0,1]=4 227 B8R0.8 CCCCC(N)C(=O)O Z57127434 [1,1,0,0,0,0|1,0,1]=4 228 B8R0.8 CCCCC(O)C(=O)O Z803065156 [1,1,0,0,0,0|1,0,1]=4 229 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [1,1,0,0,0,0|1,0,1]=4 230 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [1,1,0,0,0,0|1,0,1]=4 231 B8R0.8 COCCC(C)C(=O)O Z756390554 [1,1,0,0,0,0|2,0,0]=4 232 B8R0.8 COCCC(N)C(=O)O Z317025018 [1,1,0,0,0,0|2,0,0]=4 233 B8R0.8 CSCCC(N)C(=O)O Z57127440 [1,1,0,0,0,0|2,0,0]=4 234 B8R0.8 CSCCC(O)C(=O)O Z788000926 [1,1,0,0,0,0|2,0,0]=4 235 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [1,1,0,0,0,0|2,0,0]=4 236 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [1,1,0,0,0,0|2,0,0]=4 237 B8R0.8 NCCCC(N)C(=O)O Z104476736 [1,1,0,0,0,0|1,0,1]=4 238 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [1,1,0,0,0,0|1,0,1]=4 239 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [1,1,0,0,0,0|1,0,1]=4 240 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [1,1,0,0,0,0|2,0,0]=4 241 B8R0.8 O=C([O-])C(O)CCCO Z2510259022 [1,1,0,0,0,0|0,0,2]=4 242 B8R0.9 C=CC(N)CCC(=O)O Z1255431434 [1,1,0,0,0,0|1,0,0]=3 243 B8R0.9 CC(CN)CCC(=O)O Z1739254655 [1,1,0,0,0,0|1,0,1]=4 244 B8R0.9 CCC(C)CCC(=O)O Z955111774 [1,1,0,0,0,0|1,0,1]=4 245 B8R0.9 COC(C)CCC(=O)O Z963595334 [1,1,0,0,0,0|2,0,0]=4 246 B8R0.9 CSC(C)CCC(=O)O Z963595804 [1,1,0,0,0,0|2,0,0]=4 247 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [1,1,0,0,0,0|1,0,1]=4 248 B8R0.23 C/C(=C\C(=O)O)/C(=O)O Z104476308 [0,1,0,0,1,0|0,0,2]=4 249 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [0,1,0,0,1,0|2,0,0]=4 250 B8R0.23 C=C(CC(=O)O)C(=O)O Z57127539 [0,1,0,0,1,0|0,0,1]=3 251 B8R0.23 C=C(Cl)CC(N)C(=O)O Z2689845474 [0,1,0,0,1,0|2,0,0]=4 252 B8R0.23 CC(=O)N(C)CC(=O)O Z85895184 [0,1,0,0,1,0|2,0,0]=4 253 B8R0.23 CC(=O)NC(C)C(=O)O Z104483794 [0,1,0,0,1,0|2,0,0]=4 254 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Z98655371 [0,1,0,0,1,0|2,0,0]=4 255 B8R0.23 CC(=O)N[C@H](C)C(=O)O Z829930658 [0,1,0,0,1,0|2,0,0]=4 256 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [0,1,0,0,1,0|1,0,0]=3 257 B8R0.23 CC(CC(=O)O)C(=O)N Z1203579878 [0,1,0,0,1,0|1,0,0]=3 258 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [0,1,0,0,1,0|2,0,0]=4 259 B8R0.23 CC(NC(=O)N)C(=O)O Z56858169 [0,1,0,0,1,0|2,0,0]=4 260 B8R0.23 CN(CC(=O)O)C(=O)N Z126513734 [0,1,0,0,1,0|2,0,0]=4 261 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [0,1,0,0,1,0|1,0,0]=3 262 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [0,1,0,0,1,0|1,0,0]=3 263 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [0,1,0,0,1,0|1,0,0]=3 264 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [0,1,0,0,1,0|1,0,0]=3 265 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [0,1,0,0,1,0|0,0,0]=2 266 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [0,1,0,0,1,0|0,0,0]=2 267 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [0,1,0,0,1,0|0,0,0]=2 268 B8R0.23 O=C(O)/C=C(\I)/C(=O)O Z540727104 [0,1,0,0,1,0|0,0,2]=4 269 B8R0.23 O=C(O)CC(=O)C(=O)O Z271128590 [0,1,0,0,1,0|0,0,1]=3 270 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,1,0,0,1,0|0,0,0]=2 271 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [0,1,0,0,1,0|0,0,0]=2 272 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,1,0,0,1,0|0,0,0]=2 273 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,1,0,0,1,0|0,0,0]=2 274 B8R0.29 CS(=O)(=O)CCC(=O)O Z295403530 [0,1,0,0,1,0|1,0,1]=4 275 B8R0.29 NS(=O)(=O)CCC(=O)O Z327222556 [0,1,0,0,1,0|1,0,1]=4 276 B8R0.29 O=C(O)CCS(=O)(=O)[O-] Z2301438443 [0,1,0,0,1,0|1,0,1]=4 277 B10R0.55 CNC(=O)CCCCC(=O)O Z429593536 [0,1,0,0,0,1|1,0,0]=3 278 B10R0.55 COC(=O)CCCCC(=O)O Z1255485264 [0,1,0,0,0,1|0,0,0]=2 279 B10R0.55 COC(=O)CSCCC(=O)O Z54688741 [0,1,0,0,0,1|0,0,0]=2 280 B10R0.55 COC(=O)NCCCC(=O)O Z319610262 [0,1,0,0,0,1|0,0,0]=2 281 B10R0.55 NCC(=O)CCCCC(=O)O Z1262545972 [0,1,0,0,0,1|1,0,0]=3 282 B10R0.96 CC(CCC(=O)O)CC(=O)O Z104477714 [0,1,0,0,0,1|0,0,0]=2 283 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Z1222399234 [0,1,0,0,0,1|0,0,0]=2 284 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Z1255486317 [0,1,0,0,0,1|0,0,0]=2 285 B10R0.3 CCNC(=O)CCCC(=O)O Z90423818 [0,2,0,0,0,0|1,0,0]=3 286 B10R0.3 CCOC(=O)CNCC(=O)O Z4643529485 [0,2,0,0,0,0|1,0,0]=3 287 B10R0.3 CCOC(=O)NCCC(=O)O Z64466763 [0,2,0,0,0,0|1,0,0]=3 288 B10R0.3 COCC(=O)NCCC(=O)O Z85914467 [0,2,0,0,0,0|1,0,0]=3 289 B10R0.3 NCCC(=O)NCCC(=O)O Z3568417658 [0,2,0,0,0,0|2,0,0]=4 290 B10R0.3 O=C(O)CCNC(=O)/C=C/Cl Z2888817024 [0,2,0,0,0,0|2,0,0]=4 291 B10R0.57 COC(=O)C(N)CCC(=O)N Z3251990215 [0,2,0,0,0,0|1,0,0]=3 292 B10R0.59 C=CC(=O)NCCC(=O)OC Z445202904 [0,2,0,0,0,0|2,0,0]=4 293 B10R0.59 COC(=O)CNCC(=O)OC Z1245635736 [0,2,0,0,0,0|1,0,0]=3 294 B10R0.60 COC(=O)CCCS(=O)(=O)N Z734460660 [0,2,0,0,0,0|1,0,1]=4 295 B10R0.82 C=C(CCC(=O)OC)C(=O)O Z1262513566 [0,2,0,0,0,0|0,0,1]=3 296 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Z1198152810 [0,2,0,0,0,0|0,0,0]=2 297 B10R0.82 COC(=O)CC[C@H](N)C(=O)O Z1741982704 [0,2,0,0,0,0|0,0,0]=2 298 B10R0.43 CC(=O)C(C)(C)CCC(=O)O Z1262511309 [0,2,0,0,0,0|1,0,0]=3 299 B10R0.43 CC(=O)CCC(C)(C)C(=O)O Z1255406328 [0,2,0,0,0,0|1,0,0]=3 300 B10R0.43 CC(=O)CCC(F)(F)C(=O)[O-] Z3824931634 [0,2,0,0,0,0|1,0,1]=4 301 B10R0.43 CC(C)(CCC(=O)O)C(=O)O Z1255464958 [0,2,0,0,0,0|0,0,0]=2 302 B10R0.43 CC(C)(SCC(=O)O)C(=O)O Z1251354570 [0,2,0,0,0,0|1,0,0]=3 303 B10R0.92 CP(=O)(O)CCC(N)C(=O)O Z2737639744 [0,2,0,0,0,0|1,0,0]=3 304 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O Z5517615815 [0,2,0,0,0,0|1,0,1]=4 305 B10R0.93 C=C(CC(N)C(=O)O)C(=O)O Z3444602422 [0,2,0,0,0,0|0,0,1]=3 306 B10R0.93 CC(CC(C)C(=O)O)C(=O)O Z1255485193 [0,2,0,0,0,0|0,0,0]=2 307 B10R0.93 CC(NC(=O)C(=O)O)C(=O)O Z1262543836 [0,2,0,0,0,0|1,0,1]=4 308 B10R0.31 CS(=O)(=O)C[C@H](O)CC(=O)O Z3271509641 [0,2,0,0,0,0|1,0,1]=4 309 B10R0.165 CC(C)(CC(=O)O)CC(=O)O Z104510054 [0,2,0,0,0,0|0,0,0]=2 310 B10R0.165 O=C(O)CC(F)(F)CC(=O)O Z56827438 [0,2,0,0,0,0|0,0,0]=2 311 B10R0.165 O=C(O)CS(=O)(=O)CC(=O)O Z1198149360 [0,2,0,0,0,0|1,0,0]=3 312 B8R1.1 NCC1CCC(=O)O1 Z1262632907 [1,0,0,1,0,0|1,0,1]=4 313 B8R1.1 O=C1CCC(N1)CO Z235344363 [1,0,0,1,0,0|1,0,1]=4 314 B8R1.1 O=C1CC[C@H](N1)CO Z235344345 [1,0,0,1,0,0|1,0,1]=4 315 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [1,0,0,1,0,0|2,0,0]=4 316 B8R1.4 NC1=CC(=O)CCC1 Z56899207 [1,0,0,1,0,0|2,0,0]=4 317 B8R1.4 O=C1CCCC(=O)N1 Z424792856 [1,0,0,1,0,0|1,0,0]=3 318 B8R1.4 O=C1CCNC(=O)N1 Z57033885 [1,0,0,1,0,0|2,0,0]=4 319 B8R1.4 O=C1CCSC(=O)N1 Z56871611 [1,0,0,1,0,0|2,0,0]=4 320 B8R1.4 O=C1COCC(=O)N1 Z802811418 [1,0,0,1,0,0|2,0,0]=4 321 B8R1.4 O=C1COCC(=O)O1 Z85923414 [1,0,0,1,0,0|1,0,0]=3 322 B8R1.4 O=C1CSCC(=O)C1 Z1255373195 [1,0,0,1,0,0|2,0,0]=4 323 B8R1.6 C=CCC1CC(=O)N1 Z1203730933 [1,0,0,1,0,0|2,0,0]=4 324 B8R1.7 NC(=O)C1CCCO1 Z33545380 [1,0,0,1,0,0|1,0,1]=4 325 B8R1.7 O=C(O)C1C=CCN1 Z2902023058 [1,0,0,1,0,0|2,0,0]=4 326 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [1,0,0,1,0,0|1,0,1]=4 327 B8R1.7 O=C(O)C1CCCC1 Z104476116 [1,0,0,1,0,0|1,0,1]=4 328 B8R1.7 O=C(O)C1CCCN1 Z104476886 [1,0,0,1,0,0|1,0,1]=4 329 B8R1.7 O=C(O)C1CCCO1 Z104486102 [1,0,0,1,0,0|0,0,1]=3 330 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [1,0,0,1,0,0|0,1,1]=4 331 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [1,0,0,1,0,0|2,0,0]=4 332 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [1,0,0,1,0,0|1,0,0]=3 333 B8R1.7 O=C(O)C1CCOC1 Z381356480 [1,0,0,1,0,0|2,0,0]=4 334 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [1,0,0,1,0,0|2,0,0]=4 335 B8R1.7 O=C(O)C1OCCO1 Z1198167310 [1,0,0,1,0,0|1,0,1]=4 336 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [1,0,0,1,0,0|1,0,1]=4 337 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [1,0,0,1,0,0|1,0,1]=4 338 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [1,0,0,1,0,0|1,0,1]=4 339 B8R1.31 O=C(O)C1=C(CC1)Cl Z3358630818 [1,0,0,1,0,0|1,0,1]=4 340 B8R1.31 O=C(O)C1CCC1F Z2035936452 [1,0,0,1,0,0|1,0,1]=4 341 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [1,0,0,1,0,0|1,0,1]=4 342 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [1,0,0,1,0,0|1,0,1]=4 343 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O Z2310010920 [1,0,0,1,0,0|1,0,1]=4 344 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O Z2310010923 [1,0,0,1,0,0|1,0,1]=4 345 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Z3718352401 [1,0,0,1,0,0|1,0,1]=4 346 B8R1.43 O=C([O-])[C@@H]1C[C@H]1CO Z3717749370 [1,0,0,1,0,0|0,0,2]=4 347 B8R1.43 O=C[C@@H]1C[C@H]1C(=O)O Z3664810585 [1,0,0,1,0,0|0,0,0]=2 348 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Z2944291920 [1,0,0,1,0,0|0,0,0]=2 349 B8R1.3 O=C1CCC(=O)CC1 Z877626718 [0,0,0,1,1,0|2,0,0]=4 350 B8R1.3 O=C1CCC(=O)NC1 Z1198221828 [0,0,0,1,1,0|2,0,0]=4 351 B8R1.3 O=C1COC(=O)CO1 Z1201618919 [0,0,0,1,1,0|2,0,0]=4 352 B8R1.23 NC(=O)C1CC(=O)C1 Z1486002682 [0,0,0,1,1,0|2,0,0]=4 353 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [0,0,0,1,1,0|1,0,0]=3 354 B10R1.54 CC(=O)CC1CCC(=O)N1 Z1416183404 [0,0,0,1,0,1|2,0,0]=4 355 B10R1.54 CC1CCC(O1)CC(=O)O Z1205494903 [0,0,0,1,0,1|1,0,1]=4 356 B10R1.54 O=C(O)CC1CNC(=O)C1 Z1203747646 [0,0,0,1,0,1|1,0,0]=3 357 B10R1.54 O=C(O)CC1COC(=O)C1 Z1205494290 [0,0,0,1,0,1|1,0,0]=3 358 B10R1.113 CC1CCCC(O1)C(=O)O Z1205497461 [0,0,0,1,0,1|1,0,1]=4 359 B10R1.113 O=C(O)C1CCCC(C1)O Z1205494896 [0,0,0,1,0,1|1,0,1]=4 360 B10R1.113 O=C1CC(CCN1)C(=O)O Z1203735095 [0,0,0,1,0,1|1,0,0]=3 361 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O Z1198182319 [0,0,0,1,0,1|1,0,0]=3 362 B10R1.113 O=C1CSCC(N1)C(=O)O Z359515788 [0,0,0,1,0,1|1,0,0]=3 363 B10R1.113 O=C1NC(CCO1)C(=O)O Z1509031012 [0,0,0,1,0,1|1,0,0]=3 364 B10R1.128 O=C(O)C1CCCS1(=O)=O Z1259179102 [0,0,0,1,0,1|1,0,1]=4 365 B10R1.361 NC(=O)C1CCC1C(=O)O Z1203638038 [0,0,0,1,0,1|1,0,0]=3 366 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O Z2306736599 [0,0,0,1,0,1|0,0,0]=2 367 B10R1.13 C=C1CCC(CC1)C(=O)O Z1205495278 [0,1,0,1,0,0|2,0,0]=4 368 B10R1.13 CC1=CCC(CC1)C(=O)O Z1205493665 [0,1,0,1,0,0|2,0,0]=4 369 B10R1.13 NC(=O)C1CCC(=O)NC1 Z458890528 [0,1,0,1,0,0|2,0,0]=4 370 B10R1.13 NC1=NCC(CC1)C(=O)O Z2378836818 [0,1,0,1,0,0|2,0,0]=4 371 B10R1.13 O=C(O)C1CCC(CC1)O Z336079608 [0,1,0,1,0,0|1,0,1]=4 372 B10R1.13 O=C(O)C1CCC(CN1)O Z1198181269 [0,1,0,1,0,0|1,0,1]=4 373 B10R1.13 O=C1CCC(=NN1)C(=O)O Z56871458 [0,1,0,1,0,0|1,0,1]=4 374 B10R1.13 O=C1CCC(CC1)C(=O)O Z235352395 [0,1,0,1,0,0|1,0,0]=3 375 B10R1.13 O=C1CCC(CN1)C(=O)O Z317054072 [0,1,0,1,0,0|1,0,0]=3 376 B10R1.13 O=C1CNC(CN1)C(=O)O Z1198278656 [0,1,0,1,0,0|2,0,0]=4 377 B10R1.14 COC(=O)C1CC(=O)CS1 Z1216812477 [0,1,0,1,0,0|2,0,0]=4 378 B10R1.14 COC(=O)C1CCC(=O)N1 Z104509614 [0,1,0,1,0,0|1,0,0]=3 379 B10R1.14 COC(=O)C1CNC(=O)C1 Z839052972 [0,1,0,1,0,0|2,0,0]=4 380 B10R1.14 COC(=O)C1CNC(=O)N1 Z1179764312 [0,1,0,1,0,0|2,0,0]=4 381 B10R1.14 COC(=O)C1CNC(=O)O1 Z1203733132 [0,1,0,1,0,0|1,0,0]=3 382 B10R1.31 CCC1CCC(O1)C(=O)O Z1389029400 [0,1,0,1,0,0|1,0,1]=4 383 B10R1.31 COC1CCC(C1)C(=O)O Z1509041249 [0,1,0,1,0,0|1,0,1]=4 384 B10R1.31 NC[C@@H]1CC[C@@H](O1)C(=O)O Z2568677836 [0,1,0,1,0,0|1,0,1]=4 385 B10R1.194 CN1C(=O)CCC1C(=O)O Z1021465860 [0,1,0,1,0,0|1,0,0]=3 386 B10R1.194 CN1C(=O)NCC1C(=O)O Z1203832384 [0,1,0,1,0,0|2,0,0]=4 387 B10R1.194 CN1C(=O)NC[C@H]1C(=O)O Z1504684863 [0,1,0,1,0,0|2,0,0]=4 388 B10R1.194 CN1C(=O)OCC1C(=O)O Z1813205659 [0,1,0,1,0,0|2,0,0]=4 389 B10R1.194 CN1CCC(C1=O)C(=O)O Z1205494535 [0,1,0,1,0,0|2,0,0]=4 390 B10R1.277 CN1CC(=O)CCCC1=O Z4182996653 [0,1,0,1,0,0|2,0,0]=4 391 B10R1.408 COC(=O)C1CC1C(=O)C Z1255492858 [0,1,0,1,0,0|1,0,0]=3 392 B10R1.408 COC(=O)C1CC1C(=O)O Z1065630378 [0,1,0,1,0,0|0,0,0]=2 393 B10R1.58 CN1CC(CC1=O)C(=O)O Z57472350 [0,1,0,1,0,0|2,0,0]=4 394 B10R1.58 CN1CC(NC1=O)C(=O)O Z1203832385 [0,1,0,1,0,0|2,0,0]=4 395 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O Z3335066881 [0,1,0,1,0,0|1,0,1]=4 396 B10R1.58 N[C@H]1C[C@H](C[C@H]1O)C(=O)O Z5062872452 [0,1,0,1,0,0|1,0,1]=4 397 B10R1.58 O=C(O)C1CC(=O)N(C1)O Z1205496168 [0,1,0,1,0,0|2,0,0]=4 398 B10R1.58 O=C(O)[C@@H]1C[C@@H]([C@@H](C1)O)O Z2704517658 [0,1,0,1,0,0|1,0,1]=4 399 B10R1.349 NC(=O)N1CC(C1)C(=O)O Z1217191917 [0,1,0,1,0,0|2,0,0]=4 400 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 Z104341242 [0,1,0,1,0,0|1,0,1]=4 401 B10R1.470 CC1(CNC(=O)C1)C(=O)O Z1642347436 [0,1,0,1,0,0|2,0,0]=4 402 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O Z2740745597 [0,1,0,1,0,0|1,0,0]=3 403 B10R1.470 N[C@@]1(CC[C@@H](C1)O)C(=O)O Z3069146834 [0,1,0,1,0,0|1,0,1]=4 404 B10R1.59 CC1CC(=O)NC1C(=O)O Z1198179510 [0,1,0,1,0,0|1,0,0]=3 405 B10R1.59 CC1CC(C(O1)C(=O)O)C Z1947908132 [0,1,0,1,0,0|1,0,1]=4 406 B10R1.59 CC1OC(=O)NC1C(=O)O Z1203735062 [0,1,0,1,0,0|2,0,0]=4 407 B10R1.59 N[C@@H]1C[C@@H](C[C@@H]1C(=O)O)O Z2939860921 [0,1,0,1,0,0|1,0,1]=4 408 B10R1.282 C=C1[C@@H]([C@H]1C(=O)O)C(=O)O Z2306725862 [0,1,0,1,0,0|0,0,1]=3 409 B10R1.282 CC1[C@@H]([C@H]1C(=O)O)C(=O)O Z2311222768 [0,1,0,1,0,0|0,0,0]=2 410 B10R1.371 O=C(O)CC1CS(=O)(=O)C1 Z1551962059 [0,1,0,1,0,0|1,0,1]=4 411 B10R2.308 O=C(O)[C@@]12C[C@H]([C@@H]1C2)O Z3380556323 [0,0,0,2,0,0|1,0,1]=4 412 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,0,0,0,2,0|2,0,0]=4 413 B6R0.2 NC(=O)CC(=O)N Z104473780 [0,0,0,0,2,0|2,0,0]=4 414 B6R0.2 NC(=O)CC(=O)O Z963467736 [0,0,0,0,2,0|1,0,0]=3 415 B6R0.2 O=C(O)CC(=O)O Z57965450 [0,0,0,0,2,0|0,0,0]=2 416 B10R0.97 CC(=O)NCCOCC(=O)O Z1323534045 [0,0,0,0,0,2|1,0,0]=3 417 B10R0.97 NC(=O)NCCCCC(=O)O Z90663560 [0,0,0,0,0,2|1,0,0]=3 418 B10R0.97 O=C(O)CCCCCC(=O)O Z104495338 [0,0,0,0,0,2|0,0,0]=2 419 B10R0.97 O=C(O)CCSCCC(=O)O Z104476280 [0,0,0,0,0,2|0,0,0]=2 420 B10R0.97 O=C(O)CSCSCC(=O)O Z56759247 [0,0,0,0,0,2|0,0,0]=2