0 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.7 CC(C)C(N)CCC(=O)O Z4607148563 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.7 CC(C)CCC(N)C(=O)O Z1259339953 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.7 CC(CCC(=O)O)N(C)C Z2732402258 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.7 CC(CCN(C)C)C(=O)O Z2754060676 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [0,0,0,0,0,0|2,0,0]=2 7 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [0,0,0,0,0,0|1,0,0]=1 8 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [0,0,0,0,0,0|1,0,0]=1 9 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [0,0,0,0,0,0|1,0,0]=1 10 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [0,0,0,0,0,0|0,0,0]=0 11 B9R0.7 NC(CCC(=O)O)C(F)F Z2733335696 [0,0,0,0,0,0|2,0,1]=3 12 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [0,0,0,0,0,0|0,0,0]=0 13 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [0,0,0,0,0,0|0,0,0]=0 14 B9R0.7 O=C(O)CCC(=O)C(=O)O Z57127547 [0,0,0,0,0,0|1,0,1]=2 15 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] Z3767523054 [0,0,0,0,0,0|1,0,2]=3 16 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [1,0,0,0,0,0|1,0,1]=3 17 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [1,0,0,0,0,0|1,0,0]=2 18 B8R0.8 C=CCOC(C)C(=O)O Z362807816 [1,0,0,0,0,0|3,0,0]=4 19 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [1,0,0,0,0,0|1,0,2]=4 20 B8R0.8 CCCCC(C)C(=O)O Z756390480 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.8 CCCCC(N)C(=O)O Z57127434 [1,0,0,0,0,0|1,0,1]=3 22 B8R0.8 CCCCC(O)C(=O)O Z803065156 [1,0,0,0,0,0|2,0,1]=4 23 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [1,0,0,0,0,0|1,0,1]=3 24 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [1,0,0,0,0,0|1,0,1]=3 25 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [1,0,0,0,0,0|2,0,1]=4 26 B8R0.8 COCCC(C)C(=O)O Z756390554 [1,0,0,0,0,0|3,0,0]=4 27 B8R0.8 COCCC(N)C(=O)O Z317025018 [1,0,0,0,0,0|2,0,0]=3 28 B8R0.8 CSCCC(N)C(=O)O Z57127440 [1,0,0,0,0,0|2,0,0]=3 29 B8R0.8 CSCCC(O)C(=O)O Z788000926 [1,0,0,0,0,0|3,0,0]=4 30 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [1,0,0,0,0,0|2,0,0]=3 31 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [1,0,0,0,0,0|2,0,0]=3 32 B8R0.8 N#CCCC(N)C(=O)N Z4876440061 [1,0,0,0,0,0|2,0,1]=4 33 B8R0.8 NCCCC(N)C(=O)O Z104476736 [1,0,0,0,0,0|1,0,1]=3 34 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [1,0,0,0,0,0|1,0,1]=3 35 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [1,0,0,0,0,0|1,0,1]=3 36 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [1,0,0,0,0,0|2,0,0]=3 37 B8R0.8 O=C([O-])C(O)CCCO Z2510259022 [1,0,0,0,0,0|1,0,2]=4 38 B8R0.9 C=CC(N)CCC(=O)O Z1255431434 [1,0,0,0,0,0|1,0,0]=2 39 B8R0.9 CC(CN)CCC(=O)O Z1739254655 [1,0,0,0,0,0|2,0,1]=4 40 B8R0.9 CCC(C)CCC(=O)O Z955111774 [1,0,0,0,0,0|2,0,1]=4 41 B8R0.9 COC(C)CCC(=O)O Z963595334 [1,0,0,0,0,0|3,0,0]=4 42 B8R0.9 CSC(C)CCC(=O)O Z963595804 [1,0,0,0,0,0|3,0,0]=4 43 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [1,0,0,0,0,0|1,0,1]=3 44 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [1,0,0,0,0,0|2,0,1]=4 45 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [1,0,0,0,0,0|1,0,0]=2 46 B8R0.28 CC(=O)CSCC(=O)[O-] Z1359429555 [1,0,0,0,0,0|2,0,1]=4 47 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [1,0,0,0,0,0|2,0,0]=3 48 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [1,0,0,0,0,0|2,0,0]=3 49 B8R0.28 CC(C)CCCC(=O)O Z426022098 [1,0,0,0,0,0|2,0,1]=4 50 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [1,0,0,0,0,0|2,0,1]=4 51 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [1,0,0,0,0,0|1,0,2]=4 52 B8R0.28 N=C(N)NCCC(=O)O Z959165114 [1,0,0,0,0,0|3,0,0]=4 53 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [1,0,0,0,0,0|1,0,0]=2 54 B8R0.28 NC(=O)CNCC(=O)N Z162774608 [1,0,0,0,0,0|3,0,0]=4 55 B8R0.28 NC(=O)CNCC(=O)O Z4658099947 [1,0,0,0,0,0|2,0,0]=3 56 B8R0.28 NC(=O)CSCC(=O)O Z19691778 [1,0,0,0,0,0|2,0,0]=3 57 B8R0.28 NC(=O)NCCC(=O)O Z56347556 [1,0,0,0,0,0|2,0,0]=3 58 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [1,0,0,0,0,0|0,0,0]=1 59 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [1,0,0,0,0,0|1,0,0]=2 60 B8R0.28 O=C(O)COCC(=O)O Z57965384 [1,0,0,0,0,0|1,0,0]=2 61 B8R0.28 O=C(O)CSCC(=O)O Z104478584 [1,0,0,0,0,0|1,0,0]=2 62 B10R0.12 NC(CCC(=O)O)C(F)(F)F Z2942397371 [0,1,0,0,0,0|2,0,1]=4 63 B10R0.43 CC(=O)C(C)(C)CCC(=O)O Z1262511309 [0,1,0,0,0,0|2,0,0]=3 64 B10R0.43 CC(=O)CCC(C)(C)C(=O)O Z1255406328 [0,1,0,0,0,0|2,0,0]=3 65 B10R0.43 CC(=O)CCC(F)(F)C(=O)[O-] Z3824931634 [0,1,0,0,0,0|2,0,1]=4 66 B10R0.43 CC(C)(CCC(=O)O)C(=O)O Z1255464958 [0,1,0,0,0,0|1,0,0]=2 67 B10R0.43 CC(C)(SCC(=O)O)C(=O)O Z1251354570 [0,1,0,0,0,0|2,0,0]=3 68 B10R0.43 CC(C)CCC(C)(N)C(=O)O Z398557150 [0,1,0,0,0,0|2,0,1]=4 69 B10R0.57 COC(=O)C(N)CCC(=O)N Z3251990215 [0,1,0,0,0,0|1,0,0]=2 70 B10R0.82 C=C(CCC(=O)OC)C(=O)O Z1262513566 [0,1,0,0,0,0|1,0,1]=3 71 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Z1198152810 [0,1,0,0,0,0|0,0,0]=1 72 B10R0.82 COC(=O)CC[C@H](N)C(=O)O Z1741982704 [0,1,0,0,0,0|0,0,0]=1 73 B10R0.92 CC(C)(C)CCC(N)C(=O)O Z819991814 [0,1,0,0,0,0|2,0,1]=4 74 B10R0.92 CP(=O)(O)CCC(N)C(=O)O Z2737639744 [0,1,0,0,0,0|1,0,0]=2 75 B10R0.92 CS(=O)(=O)CCC(N)C(=O)N Z425449706 [0,1,0,0,0,0|2,0,1]=4 76 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O Z5517615815 [0,1,0,0,0,0|1,0,1]=3 77 B10R0.92 NC(CCC(F)(F)F)C(=O)O Z1954804076 [0,1,0,0,0,0|2,0,1]=4 78 B10R0.93 C=C(CC(N)C(=O)O)C(=O)O Z3444602422 [0,1,0,0,0,0|0,0,1]=2 79 B10R0.93 CC(CC(C)C(=O)O)C(=O)O Z1255485193 [0,1,0,0,0,0|1,0,0]=2 80 B10R0.93 CC(NC(=O)C(=O)O)C(=O)O Z1262543836 [0,1,0,0,0,0|2,0,1]=4 81 B10R1.13 C=C1CCC(CC1)C(=O)O Z1205495278 [0,0,0,1,0,0|3,0,0]=4 82 B10R1.13 CC1=CCC(CC1)C(=O)O Z1205493665 [0,0,0,1,0,0|3,0,0]=4 83 B10R1.13 CC1CCC(NC1)C(=O)O Z3291973014 [0,0,0,1,0,0|2,0,1]=4 84 B10R1.13 C[C@@H]1CC[C@H](NC1)C(=O)O Z3356150537 [0,0,0,1,0,0|2,0,1]=4 85 B10R1.13 NC(=O)C1CCC(=O)NC1 Z458890528 [0,0,0,1,0,0|3,0,0]=4 86 B10R1.13 NC(=O)C1CNC(=O)CN1 Z3282082973 [0,0,0,1,0,0|3,0,0]=4 87 B10R1.13 NC1=NCC(CC1)C(=O)O Z2378836818 [0,0,0,1,0,0|3,0,0]=4 88 B10R1.13 O=C(O)C1CCC(CC1)O Z336079608 [0,0,0,1,0,0|2,0,1]=4 89 B10R1.13 O=C(O)C1CCC(CN1)O Z1198181269 [0,0,0,1,0,0|1,0,1]=3 90 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)F Z3600401699 [0,0,0,1,0,0|2,0,1]=4 91 B10R1.13 O=C1CCC(=NN1)C(=O)O Z56871458 [0,0,0,1,0,0|1,0,2]=4 92 B10R1.13 O=C1CCC(CC1)C(=O)O Z235352395 [0,0,0,1,0,0|2,0,0]=3 93 B10R1.13 O=C1CCC(CN1)C(=O)O Z317054072 [0,0,0,1,0,0|2,0,0]=3 94 B10R1.13 O=C1CNC(CN1)C(=O)O Z1198278656 [0,0,0,1,0,0|2,0,0]=3 95 B10R1.58 CN1CC(CC1=O)C(=O)O Z57472350 [0,0,0,1,0,0|3,0,0]=4 96 B10R1.58 CN1CC(NC1=O)C(=O)O Z1203832385 [0,0,0,1,0,0|3,0,0]=4 97 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O Z3335066881 [0,0,0,1,0,0|1,0,1]=3 98 B10R1.58 N[C@H]1C[C@H](C[C@H]1O)C(=O)O Z5062872452 [0,0,0,1,0,0|1,0,1]=3 99 B10R1.58 O=C(O)C1CC(=O)N(C1)O Z1205496168 [0,0,0,1,0,0|3,0,0]=4 100 B10R1.58 O=C(O)[C@@H]1C[C@@H]([C@@H](C1)O)O Z2704517658 [0,0,0,1,0,0|2,0,1]=4 101 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C Z2307368764 [0,0,0,1,0,0|2,0,1]=4 102 B10R1.349 NC(=O)N1CC(C1)C(=O)O Z1217191917 [0,0,0,1,0,0|3,0,0]=4 103 B10R1.359 CC1(CCC(N1)C(=O)O)C Z1762997323 [0,0,0,1,0,0|2,0,1]=4 104 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 Z104341242 [0,0,0,1,0,0|2,0,1]=4 105 B10R1.360 CC(C)[C@@H]1C[C@]1(N)C(=O)O Z4433641075 [0,0,0,1,0,0|2,0,1]=4 106 B10R1.365 CC1(CCC1(N)C(=O)O)C Z5783123373 [0,0,0,1,0,0|2,0,1]=4 107 B10R1.470 CC1(CNC(=O)C1)C(=O)O Z1642347436 [0,0,0,1,0,0|3,0,0]=4 108 B10R1.470 CC1CCC(C1)(N)C(=O)O Z3038761031 [0,0,0,1,0,0|2,0,1]=4 109 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O Z2740745597 [0,0,0,1,0,0|2,0,0]=3 110 B10R1.470 N[C@@]1(CC[C@@H](C1)O)C(=O)O Z3069146834 [0,0,0,1,0,0|1,0,1]=3 111 B8R0.23 C/C(=C\C(=O)O)/C(=O)O Z104476308 [0,0,0,0,1,0|1,0,2]=4 112 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [0,0,0,0,1,0|2,0,0]=3 113 B8R0.23 C=C(CC(=O)O)C(=O)O Z57127539 [0,0,0,0,1,0|1,0,1]=3 114 B8R0.23 C=C(Cl)CC(N)C(=O)O Z2689845474 [0,0,0,0,1,0|2,0,0]=3 115 B8R0.23 CC(=O)N(C)CC(=O)O Z85895184 [0,0,0,0,1,0|3,0,0]=4 116 B8R0.23 CC(=O)NC(C)C(=O)O Z104483794 [0,0,0,0,1,0|3,0,0]=4 117 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Z98655371 [0,0,0,0,1,0|3,0,0]=4 118 B8R0.23 CC(=O)N[C@H](C)C(=O)O Z829930658 [0,0,0,0,1,0|3,0,0]=4 119 B8R0.23 CC(C)C(N)CC(=O)O Z975823290 [0,0,0,0,1,0|2,0,1]=4 120 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [0,0,0,0,1,0|2,0,1]=4 121 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [0,0,0,0,1,0|2,0,1]=4 122 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [0,0,0,0,1,0|2,0,1]=4 123 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [0,0,0,0,1,0|2,0,0]=3 124 B8R0.23 CC(CC(=O)O)C(=O)N Z1203579878 [0,0,0,0,1,0|2,0,0]=3 125 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [0,0,0,0,1,0|3,0,0]=4 126 B8R0.23 CC(NC(=O)N)C(=O)O Z56858169 [0,0,0,0,1,0|3,0,0]=4 127 B8R0.23 CN(CC(=O)O)C(=O)N Z126513734 [0,0,0,0,1,0|3,0,0]=4 128 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [0,0,0,0,1,0|1,0,0]=2 129 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [0,0,0,0,1,0|1,0,0]=2 130 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [0,0,0,0,1,0|1,0,0]=2 131 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [0,0,0,0,1,0|1,0,0]=2 132 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [0,0,0,0,1,0|0,0,0]=1 133 B8R0.23 NC(CC(F)F)C(=O)O Z1250080925 [0,0,0,0,1,0|2,0,1]=4 134 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [0,0,0,0,1,0|0,0,0]=1 135 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [0,0,0,0,1,0|0,0,0]=1 136 B8R0.23 O=C(O)/C=C(\I)/C(=O)O Z540727104 [0,0,0,0,1,0|1,0,2]=4 137 B8R0.23 O=C(O)CC(=O)C(=O)O Z271128590 [0,0,0,0,1,0|1,0,1]=3 138 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,0,0,0,1,0|1,0,0]=2 139 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [0,0,0,0,1,0|1,0,0]=2 140 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,0,0,0,1,0|1,0,0]=2 141 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,0,0,0,1,0|1,0,0]=2 142 B10R0.96 CC(CCC(=O)O)CC(=O)O Z104477714 [0,0,0,0,0,1|1,0,0]=2 143 B10R0.98 CC(C)C(N)CCCC(=O)O Z4573099344 [0,0,0,0,0,1|2,0,1]=4 144 B10R0.98 CC(C)CCCC(N)C(=O)O Z2855996233 [0,0,0,0,0,1|2,0,1]=4 145 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Z1222399234 [0,0,0,0,0,1|0,0,0]=1 146 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Z1255486317 [0,0,0,0,0,1|0,0,0]=1 147 B7R0.4 C=CCCCC(=O)O Z1205493561 [2,0,0,0,0,0|1,0,0]=3 148 B7R0.4 C=CCNCC(=O)O Z803145546 [2,0,0,0,0,0|2,0,0]=4 149 B7R0.4 C=CCOCC(=O)O Z362807794 [2,0,0,0,0,0|2,0,0]=4 150 B7R0.4 C=CCSCC(=O)O Z149151274 [2,0,0,0,0,0|2,0,0]=4 151 B7R0.4 CCCCCC(=O)O Z104503532 [2,0,0,0,0,0|1,0,1]=4 152 B7R0.4 CNCCCC(=O)O Z57043473 [2,0,0,0,0,0|2,0,0]=4 153 B7R0.4 COCCCC(=O)O Z316258912 [2,0,0,0,0,0|2,0,0]=4 154 B7R0.4 CSCCCC(=O)O Z54602911 [2,0,0,0,0,0|2,0,0]=4 155 B7R0.4 N#CCCCC(=O)O Z1198152304 [2,0,0,0,0,0|1,0,1]=4 156 B7R0.4 NCCCCC(=O)O Z271111992 [2,0,0,0,0,0|1,0,1]=4 157 B7R0.4 O=C(O)CCCCBr Z104479696 [2,0,0,0,0,0|1,0,1]=4 158 B7R0.4 O=C(O)CCCCS Z808230828 [2,0,0,0,0,0|0,1,1]=4 159 B7R0.4 O=C(O)CNCCO Z425411352 [2,0,0,0,0,0|1,0,1]=4 160 B7R0.4 O=C([O-])CCCCO Z2335631573 [2,0,0,0,0,0|0,0,2]=4 161 B7R0.5 C=CCC(N)C(=O)O Z317024964 [2,0,0,0,0,0|0,0,1]=3 162 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [2,0,0,0,0,0|0,0,1]=3 163 B7R0.5 CC(CCN)C(=O)O Z2298167292 [2,0,0,0,0,0|2,0,0]=4 164 B7R0.5 CC(NC=O)C(=O)O Z56757230 [2,0,0,0,0,0|2,0,0]=4 165 B7R0.5 CCCC(C)C(=O)O Z104477112 [2,0,0,0,0,0|1,0,1]=4 166 B7R0.5 CCCC(N)C(=O)O Z317024724 [2,0,0,0,0,0|0,0,1]=3 167 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [2,0,0,0,0,0|0,0,1]=3 168 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [2,0,0,0,0,0|0,0,1]=3 169 B7R0.5 COCC(N)C(=O)O Z1613478163 [2,0,0,0,0,0|1,0,1]=4 170 B7R0.5 CSCC(N)C(=O)O Z317025996 [2,0,0,0,0,0|1,0,1]=4 171 B7R0.5 NC(CCF)C(=O)O Z2470036329 [2,0,0,0,0,0|1,0,0]=3 172 B7R0.5 NC(CCO)C(=O)O Z234896487 [2,0,0,0,0,0|0,0,0]=2 173 B7R0.5 NCCC(F)C(=O)O Z3235903750 [2,0,0,0,0,0|2,0,0]=4 174 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [2,0,0,0,0,0|1,0,0]=3 175 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [2,0,0,0,0,0|2,0,0]=4 176 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [2,0,0,0,0,0|0,0,0]=2 177 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [2,0,0,0,0,0|0,0,0]=2 178 B7R0.6 CC(=O)CCC(=O)O Z104477318 [2,0,0,0,0,0|1,0,1]=4 179 B7R0.6 CC(C)CCC(=O)O Z56347204 [2,0,0,0,0,0|1,0,1]=4 180 B7R0.6 CC(N)CCC(=O)O Z1235963367 [2,0,0,0,0,0|0,0,1]=3 181 B7R0.6 CC(O)CCC(=O)O Z838959470 [2,0,0,0,0,0|1,0,0]=3 182 B7R0.6 CS(=O)CCC(=O)O Z667974346 [2,0,0,0,0,0|2,0,0]=4 183 B7R0.6 NC(=O)NCC(=O)O Z57009586 [2,0,0,0,0,0|1,0,1]=4 184 B7R0.6 O=C(O)CCC(=O)O Z57127453 [2,0,0,0,0,0|1,0,1]=4 185 B9R0.6 CCCC(C)C(N)C(=O)O Z905051876 [1,1,0,0,0,0|1,0,1]=4 186 B9R0.8 CCCCC(N)C(=O)NO Z1184862892 [1,1,0,0,0,0|1,0,1]=4 187 B9R0.8 CCCCC(N)C(=O)OC Z1675167157 [1,1,0,0,0,0|1,0,1]=4 188 B9R0.8 COCCC(N)C(=O)OC Z2168389573 [1,1,0,0,0,0|2,0,0]=4 189 B9R0.42 CCC(C)CC(N)C(=O)O Z2306603552 [1,1,0,0,0,0|1,0,1]=4 190 B9R0.42 O=C(O)C(O)CC(O)CO Z1262514590 [1,1,0,0,0,0|1,0,1]=4 191 B9R0.47 C#CCCCC(N)C(=O)O Z3325155760 [1,1,0,0,0,0|1,0,1]=4 192 B9R0.47 C=CCCCC(N)C(=O)O Z2906280520 [1,1,0,0,0,0|1,0,0]=3 193 B9R0.47 C=CCCOC(C)C(=O)O Z362807908 [1,1,0,0,0,0|2,0,0]=4 194 B9R0.47 CCCSCC(N)C(=O)O Z444349874 [1,1,0,0,0,0|1,0,1]=4 195 B9R0.47 COCCCC(N)C(=O)O Z1428160326 [1,1,0,0,0,0|0,0,1]=3 196 B9R0.47 CSCCCC(N)C(=O)O Z3274997631 [1,1,0,0,0,0|0,1,1]=4 197 B9R0.47 NCCCCC(N)C(=O)O Z57127389 [1,1,0,0,0,0|1,0,1]=4 198 B9R0.47 NCCCC[C@H](N)C(=O)O Z812534818 [1,1,0,0,0,0|1,0,1]=4 199 B9R0.1 CCC(=O)NCCC(=O)O Z85914366 [1,1,0,0,0,0|2,0,0]=4 200 B9R0.1 CN(CCCC(=O)O)N=O Z1198155577 [1,1,0,0,0,0|2,0,0]=4 201 B9R0.1 CNC(=O)CCCC(=O)[O-] Z1625822283 [1,1,0,0,0,0|1,0,1]=4 202 B9R0.1 COC(=O)CCCC(=O)O Z203045008 [1,1,0,0,0,0|0,0,0]=2 203 B9R0.1 COC(=O)CCCS(=O)C Z802572168 [1,1,0,0,0,0|2,0,0]=4 204 B9R0.1 COC(=O)CSCC(=O)O Z65933549 [1,1,0,0,0,0|1,0,0]=3 205 B9R0.1 COC(=O)NCCC(=O)O Z192954732 [1,1,0,0,0,0|1,0,0]=3 206 B9R0.1 O=C(O)CCNC(=O)CO Z1203746027 [1,1,0,0,0,0|1,0,0]=3 207 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O Z1198157053 [1,1,0,0,0,0|0,0,2]=4 208 B9R0.53 CC(CC(=O)O)CC(=O)O Z1041180516 [1,1,0,0,0,0|0,0,0]=2 209 B9R0.53 CC(CC(=O)O)NC(=O)N Z398943198 [1,1,0,0,0,0|2,0,0]=4 210 B9R0.53 CN(CC(=O)O)CC(=O)O Z119894774 [1,1,0,0,0,0|1,0,0]=3 211 B9R0.53 O=C(O)CC(O)CC(=O)O Z1198167174 [1,1,0,0,0,0|0,0,0]=2 212 B9R0.56 CS(=O)(=O)CCCC(=O)O Z732206736 [1,1,0,0,0,0|1,0,1]=4 213 B9R0.56 NS(=O)(=O)CCCC(=O)O Z351064580 [1,1,0,0,0,0|1,0,1]=4 214 B9R0.56 O=C(O)CCCP(=O)(O)O Z1255431129 [1,1,0,0,0,0|1,0,0]=3 215 B9R0.56 O=C(O)CNCP(=O)(O)O Z3225522739 [1,1,0,0,0,0|2,0,0]=4 216 B9R0.11 CC(=O)CC(C)(C)C(=O)O Z1205493714 [0,1,0,0,1,0|2,0,0]=4 217 B9R0.11 CC(O)(CC(=O)O)C(=O)O Z1255442426 [0,1,0,0,1,0|1,0,0]=3 218 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [0,1,0,0,1,0|1,0,0]=3 219 B9R0.39 NCC(CC(=O)O)C(=O)O Z1532540523 [0,1,0,0,1,0|0,0,0]=2 220 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Z1198149799 [0,1,0,0,1,0|1,0,0]=3 221 B9R0.57 O=C(O)C(O)CS(=O)(=O)O Z1198232967 [0,1,0,0,1,0|2,0,0]=4 222 B9R0.79 CC(C(=O)O)C(C)C(=O)O Z1205493640 [0,1,0,0,1,0|1,0,0]=3 223 B9R0.79 O=C(O)C(O)C(O)C(=O)O Z104473036 [0,1,0,0,1,0|1,0,0]=3 224 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Z1147451575 [0,1,0,0,1,0|1,0,0]=3 225 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Z1147451717 [0,1,0,0,1,0|1,0,0]=3 226 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O Z1255431202 [0,1,0,0,1,0|1,0,0]=3 227 B11R0.145 COC(=O)N(C)CCCC(=O)O Z382705220 [0,1,0,0,0,1|2,0,0]=4 228 B11R0.150 CC(SC[C@H](N)C(=O)O)C(=O)O Z4607373725 [0,1,0,0,0,1|0,0,0]=2 229 B11R0.201 COC(=O)CCC(C)(C)C(=O)O Z1262512264 [0,2,0,0,0,0|1,0,0]=3 230 B11R0.288 COC(=O)C(C)(C)CCC(=O)O Z1198331064 [0,2,0,0,0,0|1,0,0]=3 231 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC Z1809258545 [0,2,0,0,0,0|0,0,0]=2 232 B11R0.290 COC(=O)C(N)CCS(=O)(=O)N Z2941405023 [0,2,0,0,0,0|1,0,1]=4 233 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O Z1741979091 [0,2,0,0,0,0|1,0,0]=3 234 B9R1.6 O=C(O)C1CC=CCC1 Z57921336 [1,0,0,1,0,0|2,0,0]=4 235 B9R1.6 O=C(O)C1CC=CCN1 Z3839411211 [1,0,0,1,0,0|1,0,1]=4 236 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [1,0,0,1,0,0|1,0,1]=4 237 B9R1.6 O=C(O)C1CCCOC1 Z445214062 [1,0,0,1,0,0|1,0,1]=4 238 B9R1.6 O=C(O)C1CCSCN1 Z1235963996 [1,0,0,1,0,0|2,0,0]=4 239 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [1,0,0,1,0,0|1,0,1]=4 240 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [1,0,0,1,0,0|1,0,1]=4 241 B9R1.35 O=C1CC(CN1)C(=O)O Z239137534 [1,0,0,1,0,0|2,0,0]=4 242 B9R1.35 O=C1CC(CO1)C(=O)O Z1205493721 [1,0,0,1,0,0|2,0,0]=4 243 B9R1.35 O=C1CC(CS1)C(=O)O Z1201622329 [1,0,0,1,0,0|2,0,0]=4 244 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [1,0,0,1,0,0|1,0,0]=3 245 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [1,0,0,1,0,0|0,0,0]=2 246 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [1,0,0,1,0,0|1,0,0]=3 247 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [1,0,0,1,0,0|1,0,0]=3 248 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [1,0,0,1,0,0|0,0,0]=2 249 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [1,0,0,1,0,0|0,0,0]=2 250 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [1,0,0,1,0,0|2,0,0]=4 251 B9R1.35 O=C1COC(C1)C(=O)O Z3002628864 [1,0,0,1,0,0|2,0,0]=4 252 B9R1.35 O=C1NC(CO1)C(=O)O Z1201627960 [1,0,0,1,0,0|1,0,0]=3 253 B9R1.35 O=C1NC(CS1)C(=O)O Z199409846 [1,0,0,1,0,0|1,0,0]=3 254 B9R1.35 O=C1NCC(N1)C(=O)O Z1162470818 [1,0,0,1,0,0|1,0,0]=3 255 B9R1.35 O=C1NCC(O1)C(=O)O Z1203735066 [1,0,0,1,0,0|2,0,0]=4 256 B9R1.35 O=C1N[C@@H](CS1)C(=O)O Z203038562 [1,0,0,1,0,0|1,0,0]=3 257 B9R1.35 O=C1OCC(O1)C(=O)O Z1889707900 [1,0,0,1,0,0|2,0,0]=4 258 B9R1.69 NC1CCC(=O)NC1=O Z1474026683 [1,0,0,1,0,0|1,0,0]=3 259 B9R1.110 NC(C(=O)O)C1CCC1 Z1309515310 [1,0,0,1,0,0|1,0,1]=4 260 B9R1.112 NC(CC1CC1)C(=O)O Z431958560 [1,0,0,1,0,0|1,0,1]=4 261 B9R1.163 CC1(CCCO1)C(=O)O Z1198171568 [1,0,0,1,0,0|1,0,1]=4 262 B9R1.163 NC1(CC=CC1)C(=O)O Z3814563789 [1,0,0,1,0,0|1,0,1]=4 263 B9R1.163 NC1(CCCC1)C(=O)O Z234896477 [1,0,0,1,0,0|1,0,1]=4 264 B9R1.163 NC1(CCOC1)C(=O)O Z1124555363 [1,0,0,1,0,0|2,0,0]=4 265 B9R1.163 NC1(CCSC1)C(=O)O Z317024750 [1,0,0,1,0,0|2,0,0]=4 266 B9R1.1 O=CC1CCC(=O)CC1 Z1198165293 [1,0,0,1,0,0|2,0,0]=4 267 B9R1.67 NC1CCC1CC(=O)O Z4080002320 [1,0,0,1,0,0|1,0,1]=4 268 B9R1.53 CC(=O)CC1CC(=O)N1 Z1203732573 [1,0,0,1,0,0|2,0,0]=4 269 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Z1955831192 [1,0,0,1,0,0|1,0,0]=3 270 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Z1198723936 [1,0,0,1,0,0|0,0,0]=2 271 B9R1.161 O=C(O)[C@@H]1C[C@H]1[N+](=O)[O-] Z2309898871 [1,0,0,1,0,0|1,0,1]=4 272 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Z1955918485 [1,0,0,1,0,0|0,0,0]=2 273 B9R1.152 C=C1CC(C1)(N)C(=O)O Z4456650800 [0,0,0,1,1,0|2,0,0]=4 274 B9R1.152 NC1(CC(=O)C1)C(=O)O Z4578587092 [0,0,0,1,1,0|1,0,0]=3 275 B9R1.152 NC1(CC(C1)O)C(=O)O Z1255398009 [0,0,0,1,1,0|1,0,1]=4 276 B11R1.20 O=C(O)CC1CCC(=O)CC1 Z1198235241 [0,0,0,1,0,1|2,0,0]=4 277 B11R1.20 O=C(O)CC1CCC(=O)NC1 Z1416171278 [0,0,0,1,0,1|2,0,0]=4 278 B11R1.74 C[C@@H]1C[C@@H](CC(=O)N1)C(=O)O Z3779337331 [0,0,0,1,0,1|2,0,0]=4 279 B11R1.74 C[C@H]1CC(=O)N[C@H](C1)C(=O)O Z2311222788 [0,0,0,1,0,1|2,0,0]=4 280 B11R1.75 O=C(O)CCC1=NC(=O)NN1 Z1695669919 [0,0,0,1,0,1|1,0,1]=4 281 B11R1.75 O=C(O)CCC1CCC(=O)N1 Z1198163513 [0,0,0,1,0,1|2,0,0]=4 282 B11R1.75 O=C(O)CCC1CNC(=O)N1 Z1262531245 [0,0,0,1,0,1|2,0,0]=4 283 B11R1.175 CC(=O)N1CCC(C1)C(=O)O Z1078654182 [0,0,0,1,0,1|2,0,0]=4 284 B11R1.175 NC(=O)[C@@H]1CC[C@@H](O1)C(=O)O Z1814367061 [0,0,0,1,0,1|2,0,0]=4 285 B11R1.175 O=C(O)C1CCC(C1)C(=O)O Z274502046 [0,0,0,1,0,1|1,0,0]=3 286 B11R1.175 O=C(O)C1CCC(O1)C(=O)O Z1198155989 [0,0,0,1,0,1|1,0,0]=3 287 B11R1.175 O=C(O)[C@@H]1CC[C@@H](O1)C(=O)O Z1262511442 [0,0,0,1,0,1|1,0,0]=3 288 B11R1.175 O=C(O)[C@H]1CC[C@H](C1)C(=O)O Z1954802631 [0,0,0,1,0,1|1,0,0]=3 289 B11R1.314 CC(C(=O)O)C1CCC(=O)N1 Z2255110079 [0,0,0,1,0,1|2,0,0]=4 290 B11R1.565 O=C1CCC(CCO1)C(=O)O Z1216841619 [0,0,0,1,0,1|2,0,0]=4 291 B11R1.166 CC1CC(=O)CCC1C(=O)O Z1262519171 [0,1,0,1,0,0|2,0,0]=4 292 B11R1.313 C[C@H]1C(=O)CC[C@@H]1CC(=O)O Z4287087572 [0,1,0,1,0,0|2,0,0]=4 293 B11R1.220 CC1(CCC(=O)CC1)C(=O)O Z1255438161 [0,1,0,1,0,0|2,0,0]=4 294 B11R1.220 CC1(CCC(=O)NC1)C(=O)O Z1813108106 [0,1,0,1,0,0|2,0,0]=4 295 B11R1.220 CC1(COC(=O)OC1)C(=O)O Z1216826472 [0,1,0,1,0,0|2,0,0]=4 296 B11R1.1389 N[C@@]1(C[C@@H](C1)C(=O)O)C(=O)O Z1270392248 [0,1,0,1,0,0|0,0,0]=2 297 B11R1.1389 O=C(O)[C@H]1C[C@](C1)(O)C(=O)O Z3271169452 [0,1,0,1,0,0|1,0,0]=3 298 B11R1.22 COC(=O)C1CCC(=O)NC1 Z795248068 [0,1,0,1,0,0|2,0,0]=4 299 B11R1.22 COC(=O)C1CCC(CN1)O Z2867491134 [0,1,0,1,0,0|1,0,1]=4 300 B11R1.90 O=C(O)CCN1CCOC1=O Z323040334 [0,1,0,1,0,0|2,0,0]=4 301 B11R1.3 O=CC1=CNC(CC1)C(=O)O Z3446087356 [0,1,0,1,0,0|1,0,0]=3 302 B11R1.515 CN1C(CCS1(=O)=O)C(=O)O Z1504680896 [0,1,0,1,0,0|1,0,1]=4 303 B11R1.727 O=C(O)C1CCS(=O)(=O)CN1 Z3353488989 [0,1,0,1,0,0|1,0,1]=4 304 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]=4 305 B7R0.2 CCC(N)CC(=O)O Z1708090940 [1,0,0,0,1,0|1,0,1]=4 306 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,0,0,0,2,0|2,0,0]=4 307 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,0,0,0,2,0|1,0,0]=3 308 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,0,0,0,2,0|1,0,1]=4 309 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,0,0,0,2,0|1,0,1]=4 310 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,0,0,0,2,0|1,0,1]=4 311 B7R0.16 NC(=O)C(N)C(=O)N Z235333079 [0,0,0,0,2,0|2,0,0]=4 312 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,0,0,0,2,0|1,0,0]=3 313 B9R0.55 NC(=O)CCCCC(=O)O Z429601664 [1,0,0,0,0,1|1,0,0]=3 314 B9R0.55 NC(=O)CSCCC(=O)O Z17834964 [1,0,0,0,0,1|1,0,0]=3 315 B9R0.55 NC(=O)NCCCC(=O)O Z56912008 [1,0,0,0,0,1|1,0,0]=3 316 B9R0.55 O=C(O)CCCCC(=O)O Z57127533 [1,0,0,0,0,1|0,0,0]=2 317 B11R0.85 CN(CCC(=O)O)CCC(=O)O Z1459937563 [0,0,0,0,0,2|2,0,0]=4 318 B11R0.85 O=C(O)CCC(=O)NCC(=O)O Z608592516 [0,0,0,0,0,2|1,0,1]=4 319 B11R0.85 O=C(O)CCS(=O)CCC(=O)O Z1198160459 [0,0,0,0,0,2|2,0,0]=4 320 B11R0.29 CC(=CCSCC(N)C(=O)O)C Z317025846 [0,0,0,0,0,2|2,0,0]=4 321 B11R0.29 CC(=CCSC[C@H](N)C(=O)O)C Z760035506 [0,0,0,0,0,2|2,0,0]=4 322 B11R0.29 CC(=O)C(C)CCCCC(=O)O Z1262513809 [0,0,0,0,0,2|2,0,0]=4 323 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O Z3661982306 [0,0,0,0,0,2|1,0,0]=3 324 B11R0.29 N=C(N)NCCCC(N)C(=O)O Z56896349 [0,0,0,0,0,2|2,0,0]=4 325 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Z1201618596 [0,0,0,0,0,2|2,0,0]=4 326 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Z1143220275 [0,0,0,0,0,2|2,0,0]=4 327 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O Z1255438848 [0,0,0,0,0,2|1,0,0]=3 328 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O Z1198149761 [0,0,0,0,0,2|1,0,0]=3