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[0,0,0,0,0,0|2,0,1]=3 32 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,0,0,0,0,0|2,0,0]=2 33 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [0,0,0,0,0,0|2,0,0]=2 34 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,0,0,0,0,0|2,0,0]=2 35 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,0,0,0,0,0|2,0,0]=2 36 B7R0.2 CCC(N)CC(=O)O Z1708090940 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.5 C#CCC(N)C(=O)N Z1203582923 [1,0,0,0,0,0|3,0,0]=4 38 B7R0.5 C=CCC(N)C(=O)O Z317024964 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [1,0,0,0,0,0|2,0,0]=3 40 B7R0.5 CC(CCN)C(=O)O Z2298167292 [1,0,0,0,0,0|3,0,0]=4 41 B7R0.5 CC(NC=O)C(=O)O Z56757230 [1,0,0,0,0,0|3,0,0]=4 42 B7R0.5 CCCC(C)C(=O)O Z104477112 [1,0,0,0,0,0|3,0,0]=4 43 B7R0.5 CCCC(N)C(=O)O Z317024724 [1,0,0,0,0,0|2,0,0]=3 44 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [1,0,0,0,0,0|2,0,0]=3 45 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [1,0,0,0,0,0|2,0,0]=3 46 B7R0.5 CNCC(C)C(=O)O Z1270387301 [1,0,0,0,0,0|3,0,0]=4 47 B7R0.5 COCC(C)C(=O)O Z431541094 [1,0,0,0,0,0|2,1,0]=4 48 B7R0.5 COCC(N)C(=O)O Z1613478163 [1,0,0,0,0,0|1,1,0]=3 49 B7R0.5 CSCC(C)C(=O)O Z732206684 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.5 CSCC(N)C(=O)O Z317025996 [1,0,0,0,0,0|1,0,1]=3 51 B7R0.5 NC(CCF)C(=O)O Z2470036329 [1,0,0,0,0,0|2,0,0]=3 52 B7R0.5 NC(CCO)C(=O)O Z234896487 [1,0,0,0,0,0|1,0,0]=2 53 B7R0.5 NCCC(F)C(=O)O Z3235903750 [1,0,0,0,0,0|3,0,0]=4 54 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [1,0,0,0,0,0|2,0,0]=3 55 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [1,0,0,0,0,0|3,0,0]=4 56 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [1,0,0,0,0,0|1,0,0]=2 57 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [1,0,0,0,0,0|1,0,0]=2 58 B7R0.6 CC(=O)CCC(=O)O Z104477318 [1,0,0,0,0,0|2,0,0]=3 59 B7R0.6 CC(=O)NCC(=O)O Z85886676 [1,0,0,0,0,0|3,0,0]=4 60 B7R0.6 CC(C)CCC(=O)O Z56347204 [1,0,0,0,0,0|3,0,0]=4 61 B7R0.6 CC(N)CCC(=O)O Z1235963367 [1,0,0,0,0,0|3,0,0]=4 62 B7R0.6 CC(O)CCC(=O)O Z838959470 [1,0,0,0,0,0|2,0,0]=3 63 B7R0.6 CN(C)CCC(=O)O Z168912830 [1,0,0,0,0,0|3,0,0]=4 64 B7R0.6 CS(=O)CCC(=O)O Z667974346 [1,0,0,0,0,0|1,0,0]=2 65 B7R0.6 NC(=O)NCC(=O)O Z57009586 [1,0,0,0,0,0|3,0,0]=4 66 B7R0.6 O=C(O)/C=C/C(=O)O Z57127460 [1,0,0,0,0,0|1,0,2]=4 67 B7R0.6 O=C(O)CCC(=O)O Z57127453 [1,0,0,0,0,0|1,0,0]=2 68 B7R0.6 O=C(O)CN[N+](=O)[O-] Z1198158238 [1,0,0,0,0,0|2,0,1]=4 69 B9R0.11 CC(=O)CC(C)(C)C(=O)O Z1205493714 [0,1,0,0,0,0|3,0,0]=4 70 B9R0.11 CC(C)CC(C)(N)C(=O)O Z4767745729 [0,1,0,0,0,0|3,0,0]=4 71 B9R0.11 CC(O)(CC(=O)O)C(=O)O Z1255442426 [0,1,0,0,0,0|2,0,0]=3 72 B9R0.23 COC(=O)C(C)CC(=O)C Z838956118 [0,1,0,0,0,0|3,0,0]=4 73 B9R0.23 COC(=O)C(C)CC(=O)O Z1365493289 [0,1,0,0,0,0|2,0,0]=3 74 B9R0.23 COC(=O)C(N)CC(C)C Z56960272 [0,1,0,0,0,0|3,0,0]=4 75 B9R0.23 COC(=O)C(N)CN(C)C Z2096088400 [0,1,0,0,0,0|3,0,0]=4 76 B9R0.23 COC(=O)N(C)CC(=O)O Z319610256 [0,1,0,0,0,0|3,0,0]=4 77 B9R0.39 CC(C)CC(CN)C(=O)O Z1948934651 [0,1,0,0,0,0|3,0,0]=4 78 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [0,1,0,0,0,0|2,0,0]=3 79 B9R0.39 NCC(CC(=O)O)C(=O)O Z1532540523 [0,1,0,0,0,0|1,0,0]=2 80 B9R0.42 C=C(CC(=O)OC)C(=O)O Z1201617378 [0,1,0,0,0,0|2,0,1]=4 81 B9R0.42 CCC(=O)CC(N)C(=O)O Z1820077230 [0,1,0,0,0,0|2,0,0]=3 82 B9R0.42 CCC(C)CC(N)C(=O)O Z2306603552 [0,1,0,0,0,0|3,0,0]=4 83 B9R0.42 COC(=O)C[C@H](N)C(=O)O Z1079458540 [0,1,0,0,0,0|1,0,0]=2 84 B9R0.42 O=C(O)C(O)CC(O)CO Z1262514590 [0,1,0,0,0,0|2,0,1]=4 85 B9R0.57 CC(C)(C)CC(N)C(=O)O Z1492781338 [0,1,0,0,0,0|3,0,0]=4 86 B9R0.57 CC(C)(Cl)CC(N)C(=O)O Z2432627366 [0,1,0,0,0,0|3,0,0]=4 87 B9R0.57 CC(CS(=O)(=O)C)C(=O)O Z732206758 [0,1,0,0,0,0|1,0,2]=4 88 B9R0.57 CC(F)(F)CC(N)C(=O)O Z3325264018 [0,1,0,0,0,0|3,0,0]=4 89 B9R0.57 NC(CC(F)(F)F)C(=O)O Z1357902358 [0,1,0,0,0,0|3,0,0]=4 90 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Z1198149799 [0,1,0,0,0,0|0,0,1]=2 91 B9R0.57 O=C(O)C(O)CS(=O)(=O)O Z1198232967 [0,1,0,0,0,0|1,0,1]=3 92 B9R0.79 CC(C(=O)O)C(C)C(=O)O Z1205493640 [0,1,0,0,0,0|2,0,0]=3 93 B9R0.79 CC(C)C(C)C(N)C(=O)O Z1203580293 [0,1,0,0,0,0|3,0,0]=4 94 B9R0.79 O=C(O)C(O)C(O)C(=O)O Z104473036 [0,1,0,0,0,0|2,0,0]=3 95 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Z1147451575 [0,1,0,0,0,0|2,0,0]=3 96 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Z1147451717 [0,1,0,0,0,0|2,0,0]=3 97 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O Z1255431202 [0,1,0,0,0,0|2,0,0]=3 98 B9R1.35 CC1CC(CO1)C(=O)O Z1509040560 [0,0,0,1,0,0|3,0,0]=4 99 B9R1.35 NC(=O)C1CC(CN1)O Z56960275 [0,0,0,1,0,0|3,0,0]=4 100 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O Z2470415380 [0,0,0,1,0,0|2,0,0]=3 101 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O Z802856442 [0,0,0,1,0,0|2,0,0]=3 102 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O Z1201624589 [0,0,0,1,0,0|2,0,0]=3 103 B9R1.35 O=C1CC(CN1)C(=O)O Z239137534 [0,0,0,1,0,0|3,0,0]=4 104 B9R1.35 O=C1CC(CO1)C(=O)O Z1205493721 [0,0,0,1,0,0|2,0,0]=3 105 B9R1.35 O=C1CC(CS1)C(=O)O Z1201622329 [0,0,0,1,0,0|2,1,0]=4 106 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [0,0,0,1,0,0|3,0,0]=4 107 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [0,0,0,1,0,0|2,0,0]=3 108 B9R1.35 O=C1COC(C1)C(=O)O Z3002628864 [0,0,0,1,0,0|3,0,0]=4 109 B9R1.35 O=C1NC(CO1)C(=O)O Z1201627960 [0,0,0,1,0,0|3,0,0]=4 110 B9R1.35 O=C1OCC(O1)C(=O)O Z1889707900 [0,0,0,1,0,0|3,0,0]=4 111 B9R1.112 NC(CC1CC1)C(=O)O Z431958560 [0,0,0,1,0,0|3,0,0]=4 112 B9R1.152 C=C1CC(C1)(N)C(=O)O Z4456650800 [0,0,0,1,0,0|3,0,0]=4 113 B9R1.152 CC1CC(C1)(N)C(=O)O Z2856166804 [0,0,0,1,0,0|3,0,0]=4 114 B9R1.152 NC1(CC(=O)C1)C(=O)O Z4578587092 [0,0,0,1,0,0|2,0,0]=3 115 B9R1.152 NC1(CC(C1)F)C(=O)O Z2724339187 [0,0,0,1,0,0|3,0,0]=4 116 B9R1.152 NC1(CC(C1)O)C(=O)O Z1255398009 [0,0,0,1,0,0|2,0,0]=3 117 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Z1955831192 [0,0,0,1,0,0|3,0,0]=4 118 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Z1198723936 [0,0,0,1,0,0|2,0,0]=3 119 B9R1.161 O=C(O)[C@@H]1C[C@H]1[N+](=O)[O-] Z2309898871 [0,0,0,1,0,0|2,0,1]=4 120 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Z1955918485 [0,0,0,1,0,0|2,0,0]=3 121 B9R1.164 CC1(CC(C1)C(=O)O)O Z1205497177 [0,0,0,1,0,0|3,0,0]=4 122 B9R1.169 CC1(CC1(N)C(=O)O)C Z3674952394 [0,0,0,1,0,0|3,0,0]=4 123 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,0,0,0,1,0|3,0,0]=4 124 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,0,0,0,1,0|2,0,0]=3 125 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,0,0,0,1,0|3,0,0]=4 126 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,0,0,0,1,0|3,0,0]=4 127 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,0,0,0,1,0|3,0,0]=4 128 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,0,0,0,1,0|3,0,0]=4 129 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,0,0,0,1,0|2,0,0]=3 130 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,0,0,0,1,0|2,0,0]=3 131 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,0,0,0,1,0|2,0,0]=3 132 B7R0.16 NC(=O)C(N)C(=O)N Z235333079 [0,0,0,0,1,0|3,0,0]=4 133 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,0,0,0,1,0|2,0,0]=3 134 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [0,0,0,0,0,1|3,0,0]=4 135 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [0,0,0,0,0,1|2,0,0]=3 136 B9R0.7 CC(C)CCC(N)C(=O)O Z1259339953 [0,0,0,0,0,1|3,0,0]=4 137 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [0,0,0,0,0,1|1,0,0]=2 138 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [0,0,0,0,0,1|2,0,0]=3 139 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [0,0,0,0,0,1|2,0,0]=3 140 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [0,0,0,0,0,1|2,0,0]=3 141 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [0,0,0,0,0,1|1,0,0]=2 142 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [0,0,0,0,0,1|1,0,0]=2 143 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [0,0,0,0,0,1|1,0,0]=2 144 B9R0.7 O=C(O)CCC(=O)C(=O)O Z57127547 [0,0,0,0,0,1|2,0,1]=4 145 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O Z1198157053 [0,0,0,0,0,1|2,0,1]=4 146 B9R0.53 CC(C)CC(N)CC(=O)O Z3251695059 [0,0,0,0,0,1|3,0,0]=4 147 B9R0.53 CC(CC(=O)O)CC(=O)O Z1041180516 [0,0,0,0,0,1|2,0,0]=3 148 B9R0.53 CC(CC(=O)O)NC(=O)N Z398943198 [0,0,0,0,0,1|3,0,0]=4 149 B9R0.53 CN(CC(=O)O)CC(=O)O Z119894774 [0,0,0,0,0,1|3,0,0]=4 150 B9R0.53 O=C(O)CC(O)CC(=O)O Z1198167174 [0,0,0,0,0,1|2,0,0]=3 151 B6R0.2 CC(N)CC(=O)O Z147647144 [2,0,0,0,0,0|1,0,1]=4 152 B6R0.2 CC(N)CS(=O)C Z1238793449 [2,0,0,0,0,0|1,0,1]=4 153 B6R0.2 CS(=O)CC(=O)N Z1203581973 [2,0,0,0,0,0|1,0,1]=4 154 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [2,0,0,0,0,0|1,0,1]=4 155 B6R0.2 NC(=O)CC(=O)O Z963467736 [2,0,0,0,0,0|1,0,1]=4 156 B6R0.4 C#CCCC(=O)O Z295890062 [2,0,0,0,0,0|2,0,0]=4 157 B6R0.4 C=CCCC(=O)O Z995028722 [2,0,0,0,0,0|2,0,0]=4 158 B6R0.4 CCCCC(=O)O Z104473312 [2,0,0,0,0,0|2,0,0]=4 159 B6R0.4 COCCC(=O)O Z285184634 [2,0,0,0,0,0|1,1,0]=4 160 B6R0.4 CSCCC(=O)O Z54719251 [2,0,0,0,0,0|1,0,1]=4 161 B6R0.4 NC(=O)CCCO Z1203578394 [2,0,0,0,0,0|2,0,0]=4 162 B6R0.4 NCCCC(=O)O Z104475620 [2,0,0,0,0,0|2,0,0]=4 163 B6R0.4 NCCCS(=O)O Z1203579399 [2,0,0,0,0,0|1,0,1]=4 164 B6R0.4 O=C(O)CCCS Z147642510 [2,0,0,0,0,0|1,1,0]=4 165 B6R0.3 C=CC(N)C(=O)O Z3244810526 [2,0,0,0,0,0|1,0,1]=4 166 B6R0.3 CC(CN)C(=O)O Z431542704 [2,0,0,0,0,0|2,0,0]=4 167 B6R0.3 CC(CO)C(=O)O Z431541400 [2,0,0,0,0,0|1,0,0]=3 168 B6R0.3 CCC(C)C(=O)O Z237374874 [2,0,0,0,0,0|2,0,0]=4 169 B6R0.3 CCC(N)C(=O)O Z104495144 [2,0,0,0,0,0|1,0,0]=3 170 B6R0.3 CCC(O)C(=O)O Z246073650 [2,0,0,0,0,0|2,0,0]=4 171 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [2,0,0,0,0,0|1,0,0]=3 172 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [2,0,0,0,0,0|2,0,0]=4 173 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [2,0,0,0,0,0|1,0,0]=3 174 B6R0.3 NC(CO)C(=O)O Z57396986 [2,0,0,0,0,0|0,0,0]=2 175 B6R0.3 NC(CS)C(=O)O Z966690626 [2,0,0,0,0,0|0,0,1]=3 176 B6R0.3 NCC(N)C(=O)O Z2465863279 [2,0,0,0,0,0|1,0,0]=3 177 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [2,0,0,0,0,0|2,0,0]=4 178 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [2,0,0,0,0,0|0,0,0]=2 179 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [2,0,0,0,0,0|0,0,1]=3 180 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [2,0,0,0,0,0|0,0,0]=2 181 B8R0.3 C=CCC(N)C(=O)OC Z3067784225 [1,1,0,0,0,0|2,0,0]=4 182 B8R0.3 CCCC(N)C(=O)NO Z1184862965 [1,1,0,0,0,0|2,0,0]=4 183 B8R0.3 CCCC(N)C(=O)OC Z1592042299 [1,1,0,0,0,0|2,0,0]=4 184 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [1,1,0,0,0,0|2,0,0]=4 185 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [1,1,0,0,0,0|2,0,0]=4 186 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [1,1,0,0,0,0|2,0,0]=4 187 B8R0.8 CCCCC(N)C(=O)O Z57127434 [1,1,0,0,0,0|2,0,0]=4 188 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [1,1,0,0,0,0|2,0,0]=4 189 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [1,1,0,0,0,0|2,0,0]=4 190 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [1,1,0,0,0,0|1,1,0]=4 191 B8R0.8 COCCC(C)C(=O)O Z756390554 [1,1,0,0,0,0|2,0,0]=4 192 B8R0.8 COCCC(N)C(=O)O Z317025018 [1,1,0,0,0,0|1,0,0]=3 193 B8R0.8 CSCCC(N)C(=O)O Z57127440 [1,1,0,0,0,0|1,0,1]=4 194 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [1,1,0,0,0,0|1,0,1]=4 195 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [1,1,0,0,0,0|1,0,1]=4 196 B8R0.8 NCCCC(N)C(=O)O Z104476736 [1,1,0,0,0,0|2,0,0]=4 197 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [1,1,0,0,0,0|2,0,0]=4 198 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [1,1,0,0,0,0|2,0,0]=4 199 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [1,1,0,0,0,0|1,0,0]=3 200 B8R0.12 CC(N)(CCF)C(=O)O Z2509305784 [1,1,0,0,0,0|2,0,0]=4 201 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [1,1,0,0,0,0|2,0,0]=4 202 B8R0.12 COCC(C)(N)C(=O)O Z1346385711 [1,1,0,0,0,0|1,1,0]=4 203 B8R0.15 CCCC(CN)C(=O)O Z970060188 [1,1,0,0,0,0|2,0,0]=4 204 B8R0.15 CNC(COC)C(=O)O Z1250132318 [1,1,0,0,0,0|1,1,0]=4 205 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [1,1,0,0,0,0|2,0,0]=4 206 B8R0.9 CNC(=O)CCC(=O)O Z429593572 [1,1,0,0,0,0|2,0,0]=4 207 B8R0.9 COC(=O)CCC(=O)O Z57663583 [1,1,0,0,0,0|1,0,0]=3 208 B8R0.9 COC(=O)NCC(=O)O Z111492620 [1,1,0,0,0,0|2,0,0]=4 209 B8R0.9 COC(C)CCC(=O)O Z963595334 [1,1,0,0,0,0|2,0,0]=4 210 B8R0.9 NCC(=O)CCC(=O)O Z1741972992 [1,1,0,0,0,0|2,0,0]=4 211 B8R0.29 CS(=O)(=O)CCC(=O)O Z295403530 [1,1,0,0,0,0|0,0,2]=4 212 B8R0.29 NS(=O)(=O)CCC(=O)O Z327222556 [1,1,0,0,0,0|0,0,2]=4 213 B8R0.29 O=C(O)CCS(=O)(=O)[O-] Z2301438443 [1,1,0,0,0,0|0,0,2]=4 214 B8R0.27 CC(C(=O)O)S(=O)(=O)O Z1262510815 [0,1,0,0,1,0|1,0,1]=4 215 B8R0.37 CC(N)(C(=O)O)C(=O)O Z4968335428 [0,1,0,0,1,0|1,0,0]=3 216 B8R0.37 CC(O)C(C)(N)C(=O)O Z2768110660 [0,1,0,0,1,0|2,0,0]=4 217 B10R0.43 CC(C)(CCC(=O)O)C(=O)O Z1255464958 [0,1,0,0,0,1|2,0,0]=4 218 B10R0.43 CC(C)(SCC(=O)O)C(=O)O Z1251354570 [0,1,0,0,0,1|2,0,0]=4 219 B10R0.57 COC(=O)C(N)CCC(=O)N Z3251990215 [0,1,0,0,0,1|2,0,0]=4 220 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Z1198152810 [0,1,0,0,0,1|1,0,0]=3 221 B10R0.82 COC(=O)CC[C@H](N)C(=O)O Z1741982704 [0,1,0,0,0,1|1,0,0]=3 222 B10R0.92 CP(=O)(O)CCC(N)C(=O)O Z2737639744 [0,1,0,0,0,1|1,0,0]=3 223 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O Z5517615815 [0,1,0,0,0,1|0,0,2]=4 224 B10R0.93 C=C(CC(N)C(=O)O)C(=O)O Z3444602422 [0,1,0,0,0,1|1,0,0]=3 225 B10R0.93 CC(CC(C)C(=O)O)C(=O)O Z1255485193 [0,1,0,0,0,1|2,0,0]=4 226 B10R0.165 CC(C)(CC(=O)O)CC(=O)O Z104510054 [0,1,0,0,0,1|2,0,0]=4 227 B10R0.165 O=C(O)CC(F)(F)CC(=O)O Z56827438 [0,1,0,0,0,1|2,0,0]=4 228 B10R0.47 COC(=O)CC(C)(C)C(=O)O Z1255393158 [0,2,0,0,0,0|2,0,0]=4 229 B10R0.119 CC(CN)(CC(=O)O)C(=O)O Z1262524919 [0,2,0,0,0,0|1,0,0]=3 230 B10R0.141 COC(=O)C(C)(C)CC(=O)O Z1198342215 [0,2,0,0,0,0|2,0,0]=4 231 B10R0.162 CN(C)[C@H](CC(=O)O)C(=O)O Z1262526606 [0,2,0,0,0,0|1,0,0]=3 232 B8R1.18 CC1CC(C(=O)O1)N Z118507726 [1,0,0,1,0,0|2,0,0]=4 233 B8R1.18 NC1CC(=O)NC1=O Z2901974060 [1,0,0,1,0,0|2,0,0]=4 234 B8R1.43 O=C[C@@H]1C[C@H]1C(=O)O Z3664810585 [1,0,0,1,0,0|2,0,0]=4 235 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Z2944291920 [1,0,0,1,0,0|2,0,0]=4 236 B8R1.7 O=C(O)C1CCCN1 Z104476886 [1,0,0,1,0,0|2,0,0]=4 237 B8R1.7 O=C(O)C1CCOC1 Z381356480 [1,0,0,1,0,0|2,0,0]=4 238 B8R1.7 O=C(O)C1CSCN1 Z104495996 [1,0,0,1,0,0|1,0,1]=4 239 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [1,0,0,1,0,0|2,0,0]=4 240 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [1,0,0,1,0,0|1,0,1]=4 241 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [1,0,0,1,0,0|2,0,0]=4 242 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [1,0,0,1,0,0|1,0,1]=4 243 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [1,0,0,1,0,0|2,0,0]=4 244 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [1,0,0,1,0,0|2,0,0]=4 245 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [1,0,0,1,0,0|2,0,0]=4 246 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [1,0,0,1,0,0|2,0,0]=4 247 B8R1.78 NC1(CNC1)C(=O)O Z2867454580 [1,0,0,1,0,0|2,0,0]=4 248 B8R1.3 O=C1CCS(=O)CC1 Z826531086 [1,0,0,1,0,0|2,0,0]=4 249 B10R1.13 O=C(O)C1CCC(CN1)O Z1198181269 [0,0,0,1,0,1|2,0,0]=4 250 B10R1.13 O=C1CNC(CN1)C(=O)O Z1198278656 [0,0,0,1,0,1|2,0,0]=4 251 B10R1.470 N[C@@]1(CC[C@@H](C1)O)C(=O)O Z3069146834 [0,0,0,1,0,1|2,0,0]=4 252 B10R1.54 O=C(O)CC1COC(=O)C1 Z1205494290 [0,0,0,1,0,1|2,0,0]=4 253 B10R1.59 N[C@@H]1C[C@@H](C[C@@H]1C(=O)O)O Z2939860921 [0,0,0,1,0,1|2,0,0]=4 254 B10R1.282 CC1[C@@H]([C@H]1C(=O)O)C(=O)O Z2311222768 [0,0,0,1,0,1|2,0,0]=4 255 B10R1.194 O=C(O)[C@@H]1NC[C@H]([C@H]1O)O Z4081403377 [0,1,0,1,0,0|2,0,0]=4 256 B10R1.408 COC(=O)C1CC1C(=O)O Z1065630378 [0,1,0,1,0,0|2,0,0]=4 257 B10R1.234 NCC1(CC(C1)O)C(=O)O Z2937631757 [0,1,0,1,0,0|2,0,0]=4 258 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O Z2306736599 [0,1,0,1,0,0|2,0,0]=4 259 B10R1.31 CO[C@@H]1CN[C@@H](C1)C(=O)O Z1203733743 [0,1,0,1,0,0|2,0,0]=4 260 B10R1.31 CO[C@H]1CN[C@@H](C1)C(=O)O Z1203732431 [0,1,0,1,0,0|2,0,0]=4 261 B10R1.490 COC1CC(C1)(N)C(=O)O Z3135795518 [0,1,0,1,0,0|2,0,0]=4 262 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [1,0,0,0,0,1|2,0,0]=4 263 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [1,0,0,0,0,1|2,0,0]=4 264 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [1,0,0,0,0,1|2,0,0]=4 265 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [1,0,0,0,0,1|2,0,0]=4 266 B8R0.28 NC(=O)CNCC(=O)O Z4658099947 [1,0,0,0,0,1|2,0,0]=4 267 B8R0.28 NC(=O)CSCC(=O)O Z19691778 [1,0,0,0,0,1|2,0,0]=4 268 B8R0.28 NC(=O)NCCC(=O)O Z56347556 [1,0,0,0,0,1|2,0,0]=4 269 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [1,0,0,0,0,1|1,0,0]=3 270 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [1,0,0,0,0,1|1,0,0]=3 271 B8R0.28 O=C(O)COCC(=O)O Z57965384 [1,0,0,0,0,1|1,0,0]=3 272 B8R0.28 O=C(O)CSCC(=O)O Z104478584 [1,0,0,0,0,1|1,0,0]=3 273 B10R0.96 CC(CCC(=O)O)CC(=O)O Z104477714 [0,0,0,0,0,2|2,0,0]=4 274 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Z1222399234 [0,0,0,0,0,2|1,0,0]=3 275 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Z1255486317 [0,0,0,0,0,2|1,0,0]=3