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[0,0,0,0,0,0|2,0,2]=4 32 B8R0.23 O=C(O)CC(=O)C(=O)O Z271128590 [0,0,0,0,0,0|2,0,1]=3 33 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,0,0,0,0,0|2,0,0]=2 34 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [0,0,0,0,0,0|2,0,0]=2 35 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,0,0,0,0,0|2,0,0]=2 36 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,0,0,0,0,0|2,0,0]=2 37 B7R0.2 CCC(N)CC(=O)O Z1708090940 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.2 CNC(C)CC(=O)N Z3070230004 [1,0,0,0,0,0|3,0,0]=4 39 B7R0.5 C#CCC(N)C(=O)N Z1203582923 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.5 C=CCC(N)C(=O)O Z317024964 [1,0,0,0,0,0|1,0,0]=2 42 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [1,0,0,0,0,0|1,0,0]=2 43 B7R0.5 CC(CCN)C(=O)O Z2298167292 [1,0,0,0,0,0|1,0,1]=3 44 B7R0.5 CC(NC=O)C(=O)O Z56757230 [1,0,0,0,0,0|2,0,0]=3 45 B7R0.5 CCCC(C)C(=O)O Z104477112 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.5 CCCC(N)C(=O)O Z317024724 [1,0,0,0,0,0|1,0,1]=3 47 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [1,0,0,0,0,0|1,0,1]=3 48 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [1,0,0,0,0,0|1,0,1]=3 49 B7R0.5 CNCC(C)C(=O)O Z1270387301 [1,0,0,0,0,0|3,0,0]=4 50 B7R0.5 COCC(C)C(=O)O Z431541094 [1,0,0,0,0,0|3,0,0]=4 51 B7R0.5 COCC(N)C(=O)O Z1613478163 [1,0,0,0,0,0|2,0,0]=3 52 B7R0.5 CSCC(C)C(=O)O Z732206684 [1,0,0,0,0,0|3,0,0]=4 53 B7R0.5 CSCC(N)C(=O)O Z317025996 [1,0,0,0,0,0|2,0,0]=3 54 B7R0.5 NC(CCF)C(=O)O Z2470036329 [1,0,0,0,0,0|1,0,1]=3 55 B7R0.5 NC(CCO)C(=O)O Z234896487 [1,0,0,0,0,0|0,0,2]=3 56 B7R0.5 NCCC(F)C(=O)O Z3235903750 [1,0,0,0,0,0|1,0,1]=3 57 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [1,0,0,0,0,0|0,0,1]=2 58 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [1,0,0,0,0,0|1,0,1]=3 59 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [1,0,0,0,0,0|0,0,2]=3 60 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [1,0,0,0,0,0|0,0,2]=3 61 B7R0.6 CC(=O)CCC(=O)O Z104477318 [1,0,0,0,0,0|1,0,0]=2 62 B7R0.6 CC(=O)NCC(=O)O Z85886676 [1,0,0,0,0,0|2,0,0]=3 63 B7R0.6 CC(=O)OCC(=S)N Z411884132 [1,0,0,0,0,0|2,1,0]=4 64 B7R0.6 CC(C)CCC(=O)O Z56347204 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.6 CC(N)CCC(=O)O Z1235963367 [1,0,0,0,0,0|1,0,1]=3 66 B7R0.6 CC(O)CCC(=O)O Z838959470 [1,0,0,0,0,0|1,0,2]=4 67 B7R0.6 CN(C)CCC(=O)N Z168912842 [1,0,0,0,0,0|3,0,0]=4 68 B7R0.6 CN(C)CCC(=O)O Z168912830 [1,0,0,0,0,0|3,0,0]=4 69 B7R0.6 CS(=O)CCC(=O)O Z667974346 [1,0,0,0,0,0|2,0,0]=3 70 B7R0.6 N=C(N)NCC(=O)O Z586248684 [1,0,0,0,0,0|2,0,0]=3 71 B7R0.6 N=C(N)SCC(=O)O Z2944342055 [1,0,0,0,0,0|2,0,0]=3 72 B7R0.6 NC(=O)C#CC(=O)N Z1203578096 [1,0,0,0,0,0|1,0,2]=4 73 B7R0.6 NC(=O)NCC(=O)O Z57009586 [1,0,0,0,0,0|1,0,0]=2 74 B7R0.6 O=C(O)/C=C/C(=O)O Z57127460 [1,0,0,0,0,0|1,0,2]=4 75 B7R0.6 O=C(O)CCC(=O)O Z57127453 [1,0,0,0,0,0|1,0,0]=2 76 B7R0.6 O=C(O)CN[N+](=O)[O-] Z1198158238 [1,0,0,0,0,0|3,0,0]=4 77 B9R0.11 CC(=O)CC(C)(C)C(=O)O Z1205493714 [0,1,0,0,0,0|2,0,0]=3 78 B9R0.11 CC(=O)NC(C)(C)C(=O)O Z801820486 [0,1,0,0,0,0|3,0,0]=4 79 B9R0.11 CC(C)CC(C)(N)C(=O)O Z4767745729 [0,1,0,0,0,0|2,0,1]=4 80 B9R0.11 CC(O)(CC(=O)O)C(=O)O Z1255442426 [0,1,0,0,0,0|2,0,0]=3 81 B9R0.23 COC(=O)C(=O)CC(=O)C Z111869226 [0,1,0,0,0,0|2,0,1]=4 82 B9R0.23 COC(=O)C(C)CC(=O)C Z838956118 [0,1,0,0,0,0|2,0,0]=3 83 B9R0.23 COC(=O)C(C)CC(=O)O Z1365493289 [0,1,0,0,0,0|2,0,0]=3 84 B9R0.23 COC(=O)C(N)CC(C)C Z56960272 [0,1,0,0,0,0|2,0,1]=4 85 B9R0.23 COC(=O)C(N)CN(C)C Z2096088400 [0,1,0,0,0,0|3,0,0]=4 86 B9R0.23 COC(=O)N(C)CC(=O)O Z319610256 [0,1,0,0,0,0|3,0,0]=4 87 B9R0.39 CC(=O)NC(CO)C(=O)O Z239132792 [0,1,0,0,0,0|3,0,0]=4 88 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O Z1143441555 [0,1,0,0,0,0|3,0,0]=4 89 B9R0.39 CC(C)CC(CN)C(=O)O Z1948934651 [0,1,0,0,0,0|2,0,1]=4 90 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [0,1,0,0,0,0|2,0,0]=3 91 B9R0.39 CCC(NC(=O)N)C(=O)O Z90663559 [0,1,0,0,0,0|2,0,0]=3 92 B9R0.39 N=C(N)NC(CS)C(=O)O Z1262518379 [0,1,0,0,0,0|3,0,0]=4 93 B9R0.39 NC(=O)NC(CO)C(=O)O Z57009601 [0,1,0,0,0,0|2,0,0]=3 94 B9R0.39 NCC(CC(=O)O)C(=O)O Z1532540523 [0,1,0,0,0,0|1,0,0]=2 95 B9R0.42 C=C(CC(=O)OC)C(=O)O Z1201617378 [0,1,0,0,0,0|2,0,1]=4 96 B9R0.42 C=CC(=O)NC(O)C(=O)O Z1203731084 [0,1,0,0,0,0|3,0,0]=4 97 B9R0.42 CC(NC(=O)CCl)C(=O)O Z235363005 [0,1,0,0,0,0|3,0,0]=4 98 B9R0.42 CCC(=O)CC(N)C(=O)O Z1820077230 [0,1,0,0,0,0|1,0,0]=2 99 B9R0.42 CCC(=O)NC(C)C(=O)O Z239130514 [0,1,0,0,0,0|3,0,0]=4 100 B9R0.42 CCC(C)CC(N)C(=O)O Z2306603552 [0,1,0,0,0,0|2,0,1]=4 101 B9R0.42 CNC(=O)CN(C)C(=O)C Z221000320 [0,1,0,0,0,0|3,0,0]=4 102 B9R0.42 CNC(=O)NC(C)C(=O)O Z223131756 [0,1,0,0,0,0|2,0,0]=3 103 B9R0.42 COC(=O)C[C@H](N)C(=O)O Z1079458540 [0,1,0,0,0,0|1,0,0]=2 104 B9R0.57 CC(C)(C)CC(N)C(=O)O Z1492781338 [0,1,0,0,0,0|2,0,1]=4 105 B9R0.57 CC(C)(Cl)CC(N)C(=O)O Z2432627366 [0,1,0,0,0,0|2,0,1]=4 106 B9R0.57 CC(CC(C)(C)N)C(=O)O Z1742056030 [0,1,0,0,0,0|2,0,1]=4 107 B9R0.57 CC(CS(=O)(=O)C)C(=O)O Z732206758 [0,1,0,0,0,0|3,0,0]=4 108 B9R0.57 CC(F)(F)CC(N)C(=O)O Z3325264018 [0,1,0,0,0,0|2,0,1]=4 109 B9R0.57 NC(CC(F)(F)F)C(=O)O Z1357902358 [0,1,0,0,0,0|2,0,1]=4 110 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Z1198149799 [0,1,0,0,0,0|2,0,0]=3 111 B9R0.57 O=C(O)C(O)CS(=O)(=O)O Z1198232967 [0,1,0,0,0,0|3,0,0]=4 112 B9R0.79 CC(C(=O)O)C(C)C(=O)O Z1205493640 [0,1,0,0,0,0|2,0,0]=3 113 B9R0.79 CC(C)C(C)C(N)C(=O)O Z1203580293 [0,1,0,0,0,0|2,0,1]=4 114 B9R0.79 O=C(O)C(O)C(O)C(=O)O Z104473036 [0,1,0,0,0,0|2,0,0]=3 115 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Z1147451575 [0,1,0,0,0,0|2,0,0]=3 116 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Z1147451717 [0,1,0,0,0,0|2,0,0]=3 117 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O Z1255431202 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.35 CC1=NOC(C1)C(=O)O Z1198309057 [0,0,0,1,0,0|2,0,1]=4 119 B9R1.35 NC(=O)C1CNC(=O)C1 Z57248576 [0,0,0,1,0,0|2,0,0]=3 120 B9R1.35 NC1=NNC(=C1)C(=O)O Z275170588 [0,0,0,1,0,0|1,0,2]=4 121 B9R1.35 NC1=NNC(=N1)C(=O)O Z56922164 [0,0,0,1,0,0|2,0,1]=4 122 B9R1.35 NC1C=CC(C1)C(=O)O Z1350606478 [0,0,0,1,0,0|2,0,1]=4 123 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O Z2307368779 [0,0,0,1,0,0|2,0,1]=4 124 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O Z2470415380 [0,0,0,1,0,0|1,0,2]=4 125 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O Z802856442 [0,0,0,1,0,0|1,0,2]=4 126 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O Z1201624589 [0,0,0,1,0,0|1,0,2]=4 127 B9R1.35 O=C1CC(=NN1)C(=O)O Z815290366 [0,0,0,1,0,0|0,0,2]=3 128 B9R1.35 O=C1CC(CN1)C(=O)O Z239137534 [0,0,0,1,0,0|1,0,0]=2 129 B9R1.35 O=C1CC(CO1)C(=O)O Z1205493721 [0,0,0,1,0,0|2,0,0]=3 130 B9R1.35 O=C1CC(CS1)C(=O)O Z1201622329 [0,0,0,1,0,0|2,0,0]=3 131 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [0,0,0,1,0,0|2,0,0]=3 132 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [0,0,0,1,0,0|3,0,0]=4 133 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [0,0,0,1,0,0|3,0,0]=4 134 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [0,0,0,1,0,0|3,0,0]=4 135 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [0,0,0,1,0,0|3,0,0]=4 136 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [0,0,0,1,0,0|3,0,0]=4 137 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [0,0,0,1,0,0|1,0,0]=2 138 B9R1.35 O=C1COC(C1)C(=O)O Z3002628864 [0,0,0,1,0,0|2,0,0]=3 139 B9R1.35 O=C1NC(CO1)C(=O)O Z1201627960 [0,0,0,1,0,0|3,0,0]=4 140 B9R1.35 O=C1NC(CS1)C(=O)O Z199409846 [0,0,0,1,0,0|3,0,0]=4 141 B9R1.35 O=C1NC=C(N1)C(=O)O Z56921827 [0,0,0,1,0,0|2,0,1]=4 142 B9R1.35 O=C1NCC(N1)C(=O)O Z1162470818 [0,0,0,1,0,0|2,0,0]=3 143 B9R1.35 O=C1NCC(O1)C(=O)O Z1203735066 [0,0,0,1,0,0|2,0,0]=3 144 B9R1.35 O=C1N[C@@H](CS1)C(=O)O Z203038562 [0,0,0,1,0,0|3,0,0]=4 145 B9R1.35 O=C1OCC(O1)C(=O)O Z1889707900 [0,0,0,1,0,0|3,0,0]=4 146 B9R1.69 CC1NC(=O)COC1=O Z1203734682 [0,0,0,1,0,0|3,0,0]=4 147 B9R1.69 CN1CC(=O)NCC1=O Z1203730954 [0,0,0,1,0,0|3,0,0]=4 148 B9R1.112 NC(CC1CC1)C(=O)O Z431958560 [0,0,0,1,0,0|2,0,1]=4 149 B9R1.137 NC(=O)CC(N)C1CC1 Z1259339889 [0,0,0,1,0,0|2,0,1]=4 150 B9R1.152 C=C1CC(C1)(N)C(=O)O Z4456650800 [0,0,0,1,0,0|2,0,0]=3 151 B9R1.152 CC1CC(C1)(N)C(=O)O Z2856166804 [0,0,0,1,0,0|2,0,1]=4 152 B9R1.152 NC1(CC(=O)C1)C(=O)O Z4578587092 [0,0,0,1,0,0|1,0,0]=2 153 B9R1.152 NC1(CC(C1)F)C(=O)O Z2724339187 [0,0,0,1,0,0|2,0,1]=4 154 B9R1.152 NC1(CC(C1)O)C(=O)O Z1255398009 [0,0,0,1,0,0|1,0,2]=4 155 B9R1.152 NC1CC(C1)(O)C(=O)O Z4445501853 [0,0,0,1,0,0|2,0,1]=4 156 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Z1955831192 [0,0,0,1,0,0|1,0,0]=2 157 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Z1198723936 [0,0,0,1,0,0|2,0,0]=3 158 B9R1.161 O=C(O)[C@@H]1C[C@H]1[N+](=O)[O-] Z2309898871 [0,0,0,1,0,0|3,0,0]=4 159 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Z1955918485 [0,0,0,1,0,0|2,0,0]=3 160 B9R1.169 CC1(CC1(N)C(=O)O)C Z3674952394 [0,0,0,1,0,0|2,0,1]=4 161 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [0,0,0,0,1,0|3,0,0]=4 162 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,0,0,0,1,0|2,0,0]=3 163 B7R0.16 CC(C(=O)N)C(=O)N Z1203578231 [0,0,0,0,1,0|2,0,0]=3 164 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,0,0,0,1,0|2,0,0]=3 165 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,0,0,0,1,0|2,0,1]=4 166 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,0,0,0,1,0|2,0,1]=4 167 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,0,0,0,1,0|2,0,1]=4 168 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,0,0,0,1,0|2,0,1]=4 169 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,0,0,0,1,0|2,0,1]=4 170 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,0,0,0,1,0|2,0,1]=4 171 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,0,0,0,1,0|1,0,2]=4 172 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,0,0,0,1,0|1,0,2]=4 173 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,0,0,0,1,0|1,0,2]=4 174 B7R0.16 NC(=O)C(N)C(=O)N Z235333079 [0,0,0,0,1,0|1,0,0]=2 175 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,0,0,0,1,0|2,0,0]=3 176 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [0,0,0,0,0,1|2,0,0]=3 177 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [0,0,0,0,0,1|1,0,0]=2 178 B9R0.7 CC(C)CCC(N)C(=O)O Z1259339953 [0,0,0,0,0,1|2,0,1]=4 179 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [0,0,0,0,0,1|2,0,0]=3 180 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [0,0,0,0,0,1|0,0,0]=1 181 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [0,0,0,0,0,1|0,0,0]=1 182 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [0,0,0,0,0,1|0,0,0]=1 183 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [0,0,0,0,0,1|1,0,0]=2 184 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [0,0,0,0,0,1|1,0,0]=2 185 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [0,0,0,0,0,1|1,0,0]=2 186 B9R0.7 O=C(O)CCC(=O)C(=O)O Z57127547 [0,0,0,0,0,1|2,0,1]=4 187 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] Z3767523054 [0,0,0,0,0,1|2,0,1]=4 188 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O Z1198157053 [0,0,0,0,0,1|2,0,1]=4 189 B9R0.53 CC(C)CC(N)CC(=O)O Z3251695059 [0,0,0,0,0,1|2,0,1]=4 190 B9R0.53 CC(CC(=O)O)CC(=O)O Z1041180516 [0,0,0,0,0,1|2,0,0]=3 191 B9R0.53 CC(CC(=O)O)NC(=O)N Z398943198 [0,0,0,0,0,1|2,0,0]=3 192 B9R0.53 CN(CC(=O)O)CC(=O)O Z119894774 [0,0,0,0,0,1|3,0,0]=4 193 B9R0.53 O=C(O)CC(O)CC(=O)O Z1198167174 [0,0,0,0,0,1|2,0,0]=3 194 B6R0.1 C=CCC(N)CO Z1815149150 [2,0,0,0,0,0|1,0,1]=4 195 B6R0.2 CC(=O)CC(C)N Z57329385 [2,0,0,0,0,0|1,0,1]=4 196 B6R0.2 CC(C)CC(=O)N Z33546511 [2,0,0,0,0,0|1,0,1]=4 197 B6R0.2 CC(N)CC(=O)N Z594220690 [2,0,0,0,0,0|0,0,1]=3 198 B6R0.2 CC(N)CC(=O)O Z147647144 [2,0,0,0,0,0|1,0,1]=4 199 B6R0.2 CS(=O)CC(=O)N Z1203581973 [2,0,0,0,0,0|2,0,0]=4 200 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [2,0,0,0,0,0|1,0,1]=4 201 B6R0.2 N=C(N)CC(=O)N Z104480060 [2,0,0,0,0,0|1,0,1]=4 202 B6R0.2 NC(=O)CC(=O)N Z104473780 [2,0,0,0,0,0|0,0,1]=3 203 B6R0.2 NC(=O)CC(=O)O Z963467736 [2,0,0,0,0,0|1,0,1]=4 204 B6R0.2 NC(=O)NC(=O)N Z57206006 [2,0,0,0,0,0|1,0,1]=4 205 B6R0.4 C#CCCC(=O)O Z295890062 [2,0,0,0,0,0|1,0,1]=4 206 B6R0.4 C=CCCC(=O)C Z406376894 [2,0,0,0,0,0|2,0,0]=4 207 B6R0.4 C=CCCC(=O)O Z995028722 [2,0,0,0,0,0|1,0,0]=3 208 B6R0.4 C=CCNC(=O)N Z56904662 [2,0,0,0,0,0|2,0,0]=4 209 B6R0.4 CCCCC(=O)N Z104476278 [2,0,0,0,0,0|1,0,1]=4 210 B6R0.4 CCCCC(=O)O Z104473312 [2,0,0,0,0,0|1,0,1]=4 211 B6R0.4 COCCC(=O)N Z394696458 [2,0,0,0,0,0|2,0,0]=4 212 B6R0.4 COCCC(=O)O Z285184634 [2,0,0,0,0,0|2,0,0]=4 213 B6R0.4 CSCCC(=O)O Z54719251 [2,0,0,0,0,0|2,0,0]=4 214 B6R0.4 N#CCCC(=O)N Z57160408 [2,0,0,0,0,0|1,0,1]=4 215 B6R0.4 NC(=O)CCCO Z1203578394 [2,0,0,0,0,0|0,0,1]=3 216 B6R0.4 NC(=O)OCCO Z1198158440 [2,0,0,0,0,0|1,0,1]=4 217 B6R0.4 NCCCC(=O)N Z398513418 [2,0,0,0,0,0|1,0,1]=4 218 B6R0.4 NCCCC(=O)O Z104475620 [2,0,0,0,0,0|0,0,1]=3 219 B6R0.4 NCCCS(=O)O Z1203579399 [2,0,0,0,0,0|1,0,1]=4 220 B6R0.4 O=C(O)CCCS Z147642510 [2,0,0,0,0,0|0,1,1]=4 221 B6R0.3 C=CC(N)C(=O)O Z3244810526 [2,0,0,0,0,0|0,0,1]=3 222 B6R0.3 CC(CN)C(=O)O Z431542704 [2,0,0,0,0,0|1,0,0]=3 223 B6R0.3 CC(CO)C(=O)O Z431541400 [2,0,0,0,0,0|1,0,1]=4 224 B6R0.3 CC(O)C(N)CN Z1250080890 [2,0,0,0,0,0|1,0,1]=4 225 B6R0.3 CCC(C)C(=O)O Z237374874 [2,0,0,0,0,0|1,0,1]=4 226 B6R0.3 CCC(N)C(=O)O Z104495144 [2,0,0,0,0,0|0,0,1]=3 227 B6R0.3 CCC(O)C(=O)O Z246073650 [2,0,0,0,0,0|1,0,1]=4 228 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [2,0,0,0,0,0|0,0,1]=3 229 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [2,0,0,0,0,0|1,0,1]=4 230 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [2,0,0,0,0,0|0,0,1]=3 231 B6R0.3 NC(CO)C(=O)O Z57396986 [2,0,0,0,0,0|0,0,1]=3 232 B6R0.3 NC(CS)C(=O)O Z966690626 [2,0,0,0,0,0|0,1,0]=3 233 B6R0.3 NCC(N)C(=O)O Z2465863279 [2,0,0,0,0,0|0,0,0]=2 234 B6R0.3 NCC(O)C(=O)N Z1889902538 [2,0,0,0,0,0|2,0,0]=4 235 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [2,0,0,0,0,0|1,0,0]=3 236 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [2,0,0,0,0,0|0,0,1]=3 237 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [2,0,0,0,0,0|0,1,0]=3 238 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [2,0,0,0,0,0|0,0,1]=3 239 B8R0.3 C=CCC(N)C(=O)OC Z3067784225 [1,1,0,0,0,0|1,0,0]=3 240 B8R0.3 CCCC(N)C(=O)NO Z1184862965 [1,1,0,0,0,0|1,0,1]=4 241 B8R0.3 CCCC(N)C(=O)OC Z1592042299 [1,1,0,0,0,0|1,0,1]=4 242 B8R0.3 COC(=O)C(C)CCN Z3025061158 [1,1,0,0,0,0|1,0,1]=4 243 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [1,1,0,0,0,0|1,0,0]=3 244 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [1,1,0,0,0,0|1,0,0]=3 245 B8R0.8 C=CCOC(C)C(=O)O Z362807816 [1,1,0,0,0,0|2,0,0]=4 246 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [1,1,0,0,0,0|1,0,1]=4 247 B8R0.8 CCCCC(N)C(=O)O Z57127434 [1,1,0,0,0,0|1,0,1]=4 248 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [1,1,0,0,0,0|1,0,1]=4 249 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [1,1,0,0,0,0|1,0,1]=4 250 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [1,1,0,0,0,0|1,0,1]=4 251 B8R0.8 COCCC(N)C(=O)O Z317025018 [1,1,0,0,0,0|0,0,2]=4 252 B8R0.8 CSCCC(N)C(=O)O Z57127440 [1,1,0,0,0,0|0,1,1]=4 253 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [1,1,0,0,0,0|0,1,1]=4 254 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [1,1,0,0,0,0|0,1,1]=4 255 B8R0.8 NCCCC(N)C(=O)O Z104476736 [1,1,0,0,0,0|0,0,1]=3 256 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [1,1,0,0,0,0|0,0,1]=3 257 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [1,1,0,0,0,0|0,0,1]=3 258 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [1,1,0,0,0,0|0,0,1]=3 259 B8R0.12 CC(C)(CCN)C(=O)O Z1198151185 [1,1,0,0,0,0|1,0,1]=4 260 B8R0.12 CC(N)(CCF)C(=O)O Z2509305784 [1,1,0,0,0,0|1,0,1]=4 261 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [1,1,0,0,0,0|1,0,1]=4 262 B8R0.12 COCC(C)(N)C(=O)O Z1346385711 [1,1,0,0,0,0|2,0,0]=4 263 B8R0.12 NCCC(F)(F)C(=O)O Z2310718931 [1,1,0,0,0,0|1,0,1]=4 264 B8R0.15 CCCC(CN)C(=O)O Z970060188 [1,1,0,0,0,0|1,0,1]=4 265 B8R0.15 CNC(COC)C(=O)O Z1250132318 [1,1,0,0,0,0|2,0,0]=4 266 B8R0.9 C=CC(N)CCC(=O)O Z1255431434 [1,1,0,0,0,0|1,0,1]=4 267 B8R0.9 CC(CN)CCC(=O)O Z1739254655 [1,1,0,0,0,0|1,0,1]=4 268 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [1,1,0,0,0,0|1,0,0]=3 269 B8R0.9 CCC(=O)NCC(=O)O Z85886715 [1,1,0,0,0,0|2,0,0]=4 270 B8R0.9 CNC(=O)CCC(=O)O Z429593572 [1,1,0,0,0,0|0,0,0]=2 271 B8R0.9 CNC(=O)CNC(=O)C Z32016377 [1,1,0,0,0,0|2,0,0]=4 272 B8R0.9 CNC(=O)NCC(=O)O Z223126780 [1,1,0,0,0,0|1,0,0]=3 273 B8R0.9 COC(=O)CCC(=O)O Z57663583 [1,1,0,0,0,0|1,0,0]=3 274 B8R0.9 COC(=O)NCC(=O)O Z111492620 [1,1,0,0,0,0|2,0,0]=4 275 B8R0.9 NCC(=O)CCC(=O)O Z1741972992 [1,1,0,0,0,0|0,0,0]=2 276 B8R0.9 NCC(=O)NCC(=O)O Z56896934 [1,1,0,0,0,0|1,0,0]=3 277 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [1,1,0,0,0,0|1,0,1]=4 278 B8R0.29 CC(C)(N)CCC(=O)O Z1259041013 [1,1,0,0,0,0|1,0,1]=4 279 B8R0.29 CS(=O)(=O)CCC(=O)O Z295403530 [1,1,0,0,0,0|2,0,0]=4 280 B8R0.29 NS(=O)(=O)CCC(=O)O Z327222556 [1,1,0,0,0,0|1,0,0]=3 281 B8R0.29 NS(=O)(=O)NCC(=O)O Z295879318 [1,1,0,0,0,0|2,0,0]=4 282 B8R0.29 O=C(O)CCS(=O)(=O)[O-] Z2301438443 [1,1,0,0,0,0|2,0,0]=4 283 B8R0.37 CC(C)(C(=O)N)C(=O)O Z1198174895 [0,1,0,0,1,0|1,0,0]=3 284 B8R0.37 CC(N)(C(=O)O)C(=O)O Z4968335428 [0,1,0,0,1,0|1,0,0]=3 285 B8R0.37 NC(=O)C(F)(F)C(=O)N Z1203578477 [0,1,0,0,1,0|2,0,0]=4 286 B10R0.43 CC(=O)CCC(C)(C)C(=O)O Z1255406328 [0,1,0,0,0,1|2,0,0]=4 287 B10R0.43 CC(C)(CCC(=O)O)C(=O)O Z1255464958 [0,1,0,0,0,1|2,0,0]=4 288 B10R0.43 CC(C)(SCC(=O)O)C(=O)O Z1251354570 [0,1,0,0,0,1|2,0,0]=4 289 B10R0.57 COC(=O)C(N)CCC(=O)N Z3251990215 [0,1,0,0,0,1|0,0,0]=2 290 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Z1198152810 [0,1,0,0,0,1|1,0,0]=3 291 B10R0.82 COC(=O)CC[C@H](N)C(=O)O Z1741982704 [0,1,0,0,0,1|1,0,0]=3 292 B10R0.92 CP(=O)(O)CCC(N)C(=O)O Z2737639744 [0,1,0,0,0,1|2,0,0]=4 293 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O Z5517615815 [0,1,0,0,0,1|2,0,0]=4 294 B10R0.93 C=C(CC(N)C(=O)O)C(=O)O Z3444602422 [0,1,0,0,0,1|1,0,0]=3 295 B10R0.93 CC(CC(C)C(=O)O)C(=O)O Z1255485193 [0,1,0,0,0,1|2,0,0]=4 296 B10R0.165 CC(C)(CC(=O)O)CC(=O)O Z104510054 [0,1,0,0,0,1|2,0,0]=4 297 B10R0.165 O=C(O)CC(F)(F)CC(=O)O Z56827438 [0,1,0,0,0,1|2,0,0]=4 298 B10R0.47 COC(=O)CC(C)(C)C(=O)O Z1255393158 [0,2,0,0,0,0|2,0,0]=4 299 B10R0.119 CC(CN)(CC(=O)O)C(=O)O Z1262524919 [0,2,0,0,0,0|1,0,0]=3 300 B10R0.141 COC(=O)C(C)(C)CC(=O)O Z1198342215 [0,2,0,0,0,0|2,0,0]=4 301 B10R0.23 CCCC(NC(=O)N)C(=O)O Z444323704 [0,2,0,0,0,0|2,0,0]=4 302 B10R0.23 CCC[C@@H](NC(=O)N)C(=O)O Z1262552685 [0,2,0,0,0,0|2,0,0]=4 303 B10R0.162 CC(C)C(NC(=O)N)C(=O)O Z56862686 [0,2,0,0,0,0|2,0,0]=4 304 B10R0.162 CN(C)[C@H](CC(=O)O)C(=O)O Z1262526606 [0,2,0,0,0,0|1,0,0]=3 305 B8R1.1 O=C1CC(CN1)CO Z1201625841 [1,0,0,1,0,0|1,0,1]=4 306 B8R1.18 CC1CC(=O)NC1=O Z729209272 [1,0,0,1,0,0|1,0,0]=3 307 B8R1.18 CC1NC(=O)NC1=O Z56862247 [1,0,0,1,0,0|2,0,0]=4 308 B8R1.18 CN1CC(=O)NC1=O Z104473250 [1,0,0,1,0,0|2,0,0]=4 309 B8R1.18 CN1CC(C(=O)N1)N Z1332661939 [1,0,0,1,0,0|2,0,0]=4 310 B8R1.18 NC1CC(=O)NC1=O Z2901974060 [1,0,0,1,0,0|0,0,0]=2 311 B8R1.43 O=C[C@@H]1C[C@H]1C(=O)O Z3664810585 [1,0,0,1,0,0|2,0,0]=4 312 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Z2944291920 [1,0,0,1,0,0|2,0,0]=4 313 B8R1.7 O=C(O)C1C=CCN1 Z2902023058 [1,0,0,1,0,0|1,0,1]=4 314 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [1,0,0,1,0,0|2,0,0]=4 315 B8R1.7 O=C(O)C1CCCN1 Z104476886 [1,0,0,1,0,0|1,0,1]=4 316 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [1,0,0,1,0,0|1,0,1]=4 317 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [1,0,0,1,0,0|1,0,1]=4 318 B8R1.7 O=C(O)C1CSCN1 Z104495996 [1,0,0,1,0,0|2,0,0]=4 319 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [1,0,0,1,0,0|1,0,1]=4 320 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [1,0,0,1,0,0|2,0,0]=4 321 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [1,0,0,1,0,0|1,0,1]=4 322 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [1,0,0,1,0,0|2,0,0]=4 323 B8R1.23 NC(=O)C1CC(=O)C1 Z1486002682 [1,0,0,1,0,0|2,0,0]=4 324 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [1,0,0,1,0,0|1,0,1]=4 325 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [1,0,0,1,0,0|1,0,0]=3 326 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [1,0,0,1,0,0|1,0,1]=4 327 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [1,0,0,1,0,0|1,0,1]=4 328 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [1,0,0,1,0,0|1,0,1]=4 329 B8R1.78 NC1(CNC1)C(=O)O Z2867454580 [1,0,0,1,0,0|2,0,0]=4 330 B8R1.3 CC1=NNC(=O)CC1 Z49527484 [1,0,0,1,0,0|2,0,0]=4 331 B8R1.3 O=C1CCC(=O)CC1 Z877626718 [1,0,0,1,0,0|2,0,0]=4 332 B8R1.3 O=C1CCC(=O)NC1 Z1198221828 [1,0,0,1,0,0|1,0,0]=3 333 B8R1.3 O=C1CNC(=O)CN1 Z56854487 [1,0,0,1,0,0|2,0,0]=4 334 B8R1.3 O=C1COC(=O)CO1 Z1201618919 [1,0,0,1,0,0|2,0,0]=4 335 B8R1.50 N[C@H]1C(=O)NC[C@@H]1O Z5183356392 [0,0,0,1,1,0|1,0,1]=4 336 B10R1.13 NC(=O)C1CCC(=O)NC1 Z458890528 [0,0,0,1,0,1|2,0,0]=4 337 B10R1.13 NC(=O)C1CNC(=O)CN1 Z3282082973 [0,0,0,1,0,1|2,0,0]=4 338 B10R1.13 NC1=NCC(CC1)C(=O)O Z2378836818 [0,0,0,1,0,1|2,0,0]=4 339 B10R1.13 NC1=NCC(CN1)C(=O)O Z2379964091 [0,0,0,1,0,1|2,0,0]=4 340 B10R1.13 O=C1CCC(=NN1)C(=O)O Z56871458 [0,0,0,1,0,1|0,0,2]=4 341 B10R1.13 O=C1CCC(CC1)C(=O)O Z235352395 [0,0,0,1,0,1|2,0,0]=4 342 B10R1.13 O=C1CCC(CN1)C(=O)O Z317054072 [0,0,0,1,0,1|1,0,0]=3 343 B10R1.13 O=C1CNC(CN1)C(=O)O Z1198278656 [0,0,0,1,0,1|1,0,0]=3 344 B10R1.349 NC(=O)N1CC(C1)C(=O)O Z1217191917 [0,0,0,1,0,1|1,0,0]=3 345 B10R1.470 CC1(CNC(=O)C1)C(=O)O Z1642347436 [0,0,0,1,0,1|2,0,0]=4 346 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O Z2740745597 [0,0,0,1,0,1|1,0,0]=3 347 B10R1.54 O=C(O)CC1=NNC(=O)C1 Z381006232 [0,0,0,1,0,1|0,0,2]=4 348 B10R1.54 O=C(O)CC1CNC(=O)C1 Z1203747646 [0,0,0,1,0,1|1,0,0]=3 349 B10R1.54 O=C(O)CC1COC(=O)C1 Z1205494290 [0,0,0,1,0,1|2,0,0]=4 350 B10R1.59 CC1CC(=O)NC1C(=O)O Z1198179510 [0,0,0,1,0,1|1,0,0]=3 351 B10R1.59 CC1OC(=O)NC1C(=O)O Z1203735062 [0,0,0,1,0,1|2,0,0]=4 352 B10R1.282 CC1[C@@H]([C@H]1C(=O)O)C(=O)O Z2311222768 [0,0,0,1,0,1|2,0,0]=4 353 B10R1.442 CC(=O)CC1(CC1)C(=O)O Z2732453061 [0,1,0,1,0,0|2,0,0]=4 354 B10R1.442 NC(=O)NC1(CC1)C(=O)O Z1203590286 [0,1,0,1,0,0|2,0,0]=4 355 B10R1.14 COC(=O)C1=CC(=O)NN1 Z2238508536 [0,1,0,1,0,0|0,0,2]=4 356 B10R1.14 COC(=O)C1CC(=O)CS1 Z1216812477 [0,1,0,1,0,0|2,0,0]=4 357 B10R1.14 COC(=O)C1CNC(=N)C1 Z3759788251 [0,1,0,1,0,0|2,0,0]=4 358 B10R1.14 COC(=O)C1CNC(=O)C1 Z839052972 [0,1,0,1,0,0|1,0,0]=3 359 B10R1.14 COC(=O)C1CNC(=O)N1 Z1179764312 [0,1,0,1,0,0|2,0,0]=4 360 B10R1.14 COC(=O)C1CNC(=O)O1 Z1203733132 [0,1,0,1,0,0|2,0,0]=4 361 B10R1.194 CN1C(=O)NCC1C(=O)O Z1203832384 [0,1,0,1,0,0|2,0,0]=4 362 B10R1.194 CN1C(=O)NC[C@H]1C(=O)O Z1504684863 [0,1,0,1,0,0|2,0,0]=4 363 B10R1.408 COC(=O)C1CC1C(=O)C Z1255492858 [0,1,0,1,0,0|2,0,0]=4 364 B10R1.408 COC(=O)C1CC1C(=O)O Z1065630378 [0,1,0,1,0,0|2,0,0]=4 365 B10R1.113 O=C1CC(CCN1)C(=O)O Z1203735095 [0,1,0,1,0,0|1,0,0]=3 366 B10R1.361 NC(=O)C1CCC1C(=O)O Z1203638038 [0,1,0,1,0,0|1,0,0]=3 367 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O Z2306736599 [0,1,0,1,0,0|2,0,0]=4 368 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [1,0,0,0,0,1|2,0,0]=4 369 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [1,0,0,0,0,1|1,0,0]=3 370 B8R0.28 CC(=O)CSCC(=O)[O-] Z1359429555 [1,0,0,0,0,1|1,0,1]=4 371 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [1,0,0,0,0,1|1,0,0]=3 372 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [1,0,0,0,0,1|1,0,0]=3 373 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [1,0,0,0,0,1|1,0,1]=4 374 B8R0.28 CC(N)COCC(=O)O Z3789755599 [1,0,0,0,0,1|1,0,1]=4 375 B8R0.28 N=C(N)NCCC(=O)O Z959165114 [1,0,0,0,0,1|1,0,0]=3 376 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [1,0,0,0,0,1|0,0,0]=2 377 B8R0.28 NC(=O)CNCC(=O)N Z162774608 [1,0,0,0,0,1|1,0,0]=3 378 B8R0.28 NC(=O)CNCC(=O)O Z4658099947 [1,0,0,0,0,1|0,0,0]=2 379 B8R0.28 NC(=O)CSCC(=O)O Z19691778 [1,0,0,0,0,1|0,0,0]=2 380 B8R0.28 NC(=O)NCCC(=O)O Z56347556 [1,0,0,0,0,1|0,0,0]=2 381 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [1,0,0,0,0,1|1,0,0]=3 382 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [1,0,0,0,0,1|1,0,0]=3 383 B8R0.28 O=C(O)COCC(=O)O Z57965384 [1,0,0,0,0,1|1,0,0]=3 384 B8R0.28 O=C(O)CSCC(=O)O Z104478584 [1,0,0,0,0,1|1,0,0]=3 385 B10R0.96 CC(CCC(=O)O)CC(=O)O Z104477714 [0,0,0,0,0,2|2,0,0]=4 386 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Z1222399234 [0,0,0,0,0,2|1,0,0]=3 387 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Z1255486317 [0,0,0,0,0,2|1,0,0]=3