0 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.2 CC(=CC(=O)N)C Z33546934 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.2 CC(=CC(=O)O)C Z104480144 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.2 CC(=O)CC(C)N Z57329385 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.2 CC(=O)NC(=N)N Z1203578060 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.2 CC(=O)NC(=O)N Z104476284 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.2 CC(C)CC(=O)N Z33546511 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.2 CC(C)CC(=O)O Z104474910 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.2 CC(N)CC(=O)N Z594220690 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.2 CC(N)CC(=O)O Z147647144 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.2 CN(C)CC(=O)N Z54750057 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.2 CN(C)CC(=O)O Z235580496 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.2 CS(=O)CC(=O)N Z1203581973 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.2 N=C(N)CC(=N)N Z1357774279 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.2 N=C(N)CC(=O)N Z104480060 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.2 NC(=O)CC(=O)N Z104473780 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.2 NC(=O)CC(=O)O Z963467736 [0,0,0,0,0,0|1,0,0]=1 20 B6R0.2 NC(=O)NC(=O)N Z57206006 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.2 O=C(O)C=C(Br)Br Z1416198234 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.2 O=C(O)C=C(Cl)Cl Z1205493743 [0,0,0,0,0,0|2,0,1]=3 23 B6R0.2 O=C(O)CC(=O)O Z57965450 [0,0,0,0,0,0|0,0,0]=0 24 B5R0.1 C#CCC(=O)O Z295890060 [1,0,0,0,0,0|1,0,1]=3 25 B5R0.1 C/C=C/C(=O)O Z104476026 [1,0,0,0,0,0|1,0,1]=3 26 B5R0.1 CC(=O)CCO Z906206900 [1,0,0,0,0,0|1,0,1]=3 27 B5R0.1 CC(O)CCO Z104473530 [1,0,0,0,0,0|1,0,2]=4 28 B5R0.1 CCCC(=O)N Z33546461 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 CCCC(=O)O Z104495380 [1,0,0,0,0,0|1,0,1]=3 30 B5R0.1 CNCC(=O)N Z415678308 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.1 CNCC(=O)O Z104480276 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.1 COCC(=O)N Z33546778 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.1 COCC(=O)O Z104477404 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.1 CSCC(=O)N Z33545668 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.1 N#CCC(=O)N Z56896153 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.1 N#CCC(=O)O Z104476112 [1,0,0,0,0,0|1,0,1]=3 37 B5R0.1 N=C(N)CCO Z1198394167 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 N=C(N)NC=O Z1203578554 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.1 NC(=O)CCO Z431951940 [1,0,0,0,0,0|1,0,1]=3 40 B5R0.1 NCCC(=O)N Z415728050 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.1 NCCC(=O)O Z57127544 [1,0,0,0,0,0|1,0,1]=3 42 B5R0.1 NOCC(=O)O Z90662171 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.1 O=C(O)/C=C/I Z2327124440 [1,0,0,0,0,0|1,0,1]=3 44 B5R0.1 O=C(O)CCCl Z203045320 [1,0,0,0,0,0|1,0,1]=3 45 B5R0.1 O=C(O)CCS Z104474322 [1,0,0,0,0,0|0,1,1]=3 46 B5R0.1 O=C(O)CNO Z1205493750 [1,0,0,0,0,0|1,0,0]=2 47 B7R0.2 C=CC(=O)NC(=O)N Z837062938 [0,1,0,0,0,0|3,0,0]=4 48 B7R0.2 CC(=O)NC(=O)CCl Z56911971 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,1,0,0,0,0|2,0,1]=4 50 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,1,0,0,0,0|2,0,1]=4 51 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,1,0,0,0,0|2,0,1]=4 53 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,1,0,0,0,0|2,0,1]=4 54 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,1,0,0,0,0|3,0,0]=4 55 B7R0.2 CN(CC(=O)O)N=O Z1198151307 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.2 CNC(=O)CC(=N)N Z3024198799 [0,1,0,0,0,0|3,0,0]=4 57 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,1,0,0,0,0|1,0,0]=2 58 B7R0.2 CNC(=O)NC(=O)N Z56755567 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.2 COC(=O)/C=C(/C)\N Z104472884 [0,1,0,0,0,0|2,0,1]=4 60 B7R0.2 COC(=O)CC(C)N Z169856728 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.2 COC(C)CC(=O)O Z431536426 [0,1,0,0,0,0|1,0,1]=3 62 B7R0.2 NC(=O)NC(=O)CCl Z56851244 [0,1,0,0,0,0|3,0,0]=4 63 B7R0.2 NC(=O)NC(=O)CO Z431952046 [0,1,0,0,0,0|2,0,0]=3 64 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,1,0,0,0,0|1,0,1]=3 65 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,1,0,0,0,0|1,0,1]=3 66 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,1,0,0,0,0|1,0,1]=3 67 B7R0.9 CC(C)(Br)CC(=O)O Z1262512457 [0,1,0,0,0,0|2,0,1]=4 68 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [0,1,0,0,0,0|2,0,1]=4 69 B7R0.9 CC(C)(N)CC(=O)O Z1255523279 [0,1,0,0,0,0|2,0,1]=4 70 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [0,1,0,0,0,0|1,0,1]=3 71 B7R0.9 CC(F)(F)CC(=O)O Z1205496030 [0,1,0,0,0,0|2,0,1]=4 72 B7R0.9 CP(=O)([O-])CC(=O)[O-] Z2939810747 [0,1,0,0,0,0|1,0,2]=4 73 B7R0.9 CS(=O)(=O)CC(=O)O Z295402410 [0,1,0,0,0,0|1,0,1]=3 74 B7R0.9 NC(=O)CS(=O)(=O)N Z1203582027 [0,1,0,0,0,0|2,0,1]=4 75 B7R0.9 NS(=O)(=O)CC(=O)O Z331472332 [0,1,0,0,0,0|1,0,1]=3 76 B7R0.9 O=C(O)CP(=O)(O)O Z277558864 [0,1,0,0,0,0|1,0,0]=2 77 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.16 CC(=C(F)F)C(=O)O Z1205497572 [0,1,0,0,0,0|2,0,1]=4 79 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [0,1,0,0,0,0|2,0,0]=3 80 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,1,0,0,0,0|2,0,0]=3 81 B7R0.16 CC(C(=O)N)C(=O)N Z1203578231 [0,1,0,0,0,0|2,0,0]=3 82 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,1,0,0,0,0|0,0,0]=1 83 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,1,0,0,0,0|2,0,1]=4 84 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,1,0,0,0,0|2,0,1]=4 85 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,1,0,0,0,0|2,0,1]=4 86 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,1,0,0,0,0|2,0,1]=4 87 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,1,0,0,0,0|2,0,1]=4 88 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,1,0,0,0,0|2,0,1]=4 89 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,1,0,0,0,0|2,0,1]=4 90 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,1,0,0,0,0|2,0,1]=4 91 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,1,0,0,0,0|1,0,1]=3 92 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,1,0,0,0,0|3,0,0]=4 93 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,1,0,0,0,0|1,0,1]=3 94 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,1,0,0,0,0|1,0,1]=3 95 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,1,0,0,0,0|3,0,0]=4 96 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,1,0,0,0,0|1,0,1]=3 97 B7R0.16 NC(=O)C(N)C(=O)N Z235333079 [0,1,0,0,0,0|2,0,0]=3 98 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,1,0,0,0,0|0,0,0]=1 99 B7R1.2 CC1=CC(=O)NO1 Z56761467 [0,0,0,1,0,0|2,0,1]=4 100 B7R1.2 CC1=NNC(=O)C1 Z50145989 [0,0,0,1,0,0|3,0,0]=4 101 B7R1.2 O=C1C=CC(=O)C1 Z1083219844 [0,0,0,1,0,0|2,0,0]=3 102 B7R1.2 O=C1C=CC(=O)N1 Z223655288 [0,0,0,1,0,0|3,0,0]=4 103 B7R1.2 O=C1CC(=O)NN1 Z1278925673 [0,0,0,1,0,0|2,0,0]=3 104 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,0,0,1,0,0|2,0,1]=4 105 B7R1.2 O=C1CCC(=O)N1 Z57127349 [0,0,0,1,0,0|3,0,0]=4 106 B7R1.2 O=C1CCC(=O)O1 Z57127506 [0,0,0,1,0,0|3,0,0]=4 107 B7R1.2 O=C1CNC(=O)N1 Z57131035 [0,0,0,1,0,0|3,0,0]=4 108 B7R1.2 O=C1COC(=O)N1 Z56762271 [0,0,0,1,0,0|2,0,0]=3 109 B7R1.2 O=C1CSC(=O)N1 Z57131032 [0,0,0,1,0,0|2,1,0]=4 110 B7R1.2 O=C1NNC(=O)N1 Z1255461133 [0,0,0,1,0,0|3,0,0]=4 111 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,0,0,1,0,0|2,0,1]=4 112 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.20 O=C(O)CC1CC1 Z234893653 [0,0,0,1,0,0|2,0,1]=4 114 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [0,0,0,0,1,0|2,0,0]=3 115 B5R0.5 CC(=O)C(=O)O Z104495240 [0,0,0,0,1,0|1,0,0]=2 116 B5R0.5 CC(Br)C(=O)O Z57127555 [0,0,0,0,1,0|2,0,1]=4 117 B5R0.5 CC(C)C(=O)O Z104473380 [0,0,0,0,1,0|2,0,1]=4 118 B5R0.5 CC(Cl)C(=O)O Z147646840 [0,0,0,0,1,0|2,0,1]=4 119 B5R0.5 CC(N)C(=O)O Z57396987 [0,0,0,0,1,0|2,0,1]=4 120 B5R0.5 CC(O)C(=O)N Z57206008 [0,0,0,0,1,0|2,0,1]=4 121 B5R0.5 CC(S)C(=O)O Z104477082 [0,0,0,0,1,0|1,1,1]=4 122 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [0,0,0,0,1,0|2,0,1]=4 123 B5R0.5 C[C@H](N)C(=O)O Z756424912 [0,0,0,0,1,0|2,0,1]=4 124 B5R0.5 O=C(O)C(=O)O Z1741978903 [0,0,0,0,1,0|0,0,0]=1 125 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [0,0,0,0,1,0|2,0,1]=4 126 B5R0.5 O=C(O)C(F)F Z104474070 [0,0,0,0,1,0|2,0,1]=4 127 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,0,0,0,0,1|1,0,0]=2 128 B7R0.6 CC(=O)NCB(O)O Z1198183387 [0,0,0,0,0,1|2,0,1]=4 129 B7R0.6 CC(=O)NCC(=O)O Z85886676 [0,0,0,0,0,1|1,0,0]=2 130 B7R0.6 CC(=O)NCC(C)O Z353603952 [0,0,0,0,0,1|2,0,1]=4 131 B7R0.6 CC(=O)OCC(=S)N Z411884132 [0,0,0,0,0,1|2,1,0]=4 132 B7R0.6 CC(C)CCC(=O)O Z56347204 [0,0,0,0,0,1|2,0,1]=4 133 B7R0.6 CC(C)NCC(=O)O Z359419672 [0,0,0,0,0,1|2,0,1]=4 134 B7R0.6 CC(C)OCC(=O)O Z316259244 [0,0,0,0,0,1|2,0,1]=4 135 B7R0.6 CC(C)SCC(=O)O Z214812600 [0,0,0,0,0,1|2,0,1]=4 136 B7R0.6 CC(N)CCC(=O)O Z1235963367 [0,0,0,0,0,1|2,0,1]=4 137 B7R0.6 CC(O)CCC(=O)O Z838959470 [0,0,0,0,0,1|1,0,1]=3 138 B7R0.6 CN(C)CCC(=O)O Z168912830 [0,0,0,0,0,1|3,0,0]=4 139 B7R0.6 CS(=O)CCC(=O)O Z667974346 [0,0,0,0,0,1|2,0,0]=3 140 B7R0.6 N=C(N)NCC(=O)O Z586248684 [0,0,0,0,0,1|2,0,0]=3 141 B7R0.6 N=C(N)SCC(=O)O Z2944342055 [0,0,0,0,0,1|2,0,0]=3 142 B7R0.6 NC(=O)C#CC(=O)N Z1203578096 [0,0,0,0,0,1|2,0,1]=4 143 B7R0.6 NC(=O)NCC(=O)O Z57009586 [0,0,0,0,0,1|1,0,0]=2 144 B7R0.6 O=C(O)/C=C/C(=O)O Z57127460 [0,0,0,0,0,1|0,0,1]=2 145 B7R0.6 O=C(O)CCC(=O)O Z57127453 [0,0,0,0,0,1|0,0,0]=1 146 B7R0.6 O=C(O)CN[N+](=O)[O-] Z1198158238 [0,0,0,0,0,1|1,0,1]=3 147 B4R0.1 C#CC(=O)O Z104493798 [2,0,0,0,0,0|0,0,2]=4 148 B4R0.1 C=C(Br)CO Z600440434 [2,0,0,0,0,0|2,0,0]=4 149 B4R0.1 C=CC(=O)O Z57127944 [2,0,0,0,0,0|0,0,1]=3 150 B4R0.1 CC(=O)C=O Z104495190 [2,0,0,0,0,0|1,0,0]=3 151 B4R0.1 CC(=O)CN Z1262398366 [2,0,0,0,0,0|2,0,0]=4 152 B4R0.1 CC(=O)NO Z59181917 [2,0,0,0,0,0|2,0,0]=4 153 B4R0.1 CC(O)CO Z106938868 [2,0,0,0,0,0|1,0,1]=4 154 B4R0.1 CCC(=O)N Z33546482 [2,0,0,0,0,0|1,0,1]=4 155 B4R0.1 CCC(=O)O Z104474154 [2,0,0,0,0,0|0,0,1]=3 156 B4R0.1 C[C@@H](O)CO Z1255486379 [2,0,0,0,0,0|1,0,1]=4 157 B4R0.1 C[C@H](O)CO Z1255449993 [2,0,0,0,0,0|1,0,1]=4 158 B4R0.1 N=C(N)CO Z1259341033 [2,0,0,0,0,0|2,0,0]=4 159 B4R0.1 NC(=O)CF Z104475768 [2,0,0,0,0,0|2,0,0]=4 160 B4R0.1 NC(=O)CI Z1080376832 [2,0,0,0,0,0|2,0,0]=4 161 B4R0.1 NC(=O)CO Z424788508 [2,0,0,0,0,0|1,0,0]=3 162 B4R0.1 NC(=O)NO Z1203577934 [2,0,0,0,0,0|2,0,0]=4 163 B4R0.1 NCC(=O)N Z1262254285 [2,0,0,0,0,0|2,0,0]=4 164 B4R0.1 NCC(=O)O Z955123660 [2,0,0,0,0,0|1,0,0]=3 165 B4R0.1 O=C(O)CBr Z104473018 [2,0,0,0,0,0|1,0,0]=3 166 B4R0.1 O=C(O)CO Z104473274 [2,0,0,0,0,0|0,0,0]=2 167 B6R0.1 C#CCC(=O)OC Z1198160347 [1,1,0,0,0,0|1,0,1]=4 168 B6R0.1 CCCC(=O)NO Z59181937 [1,1,0,0,0,0|1,0,1]=4 169 B6R0.1 CNC(=O)CCO Z975909370 [1,1,0,0,0,0|1,0,1]=4 170 B6R0.1 CNCC(=O)OC Z89264972 [1,1,0,0,0,0|2,0,0]=4 171 B6R0.3 C=CC(N)C(=O)O Z3244810526 [1,1,0,0,0,0|1,0,0]=3 172 B6R0.3 CC(C#N)C(=O)O Z852759720 [1,1,0,0,0,0|1,0,1]=4 173 B6R0.3 CC(CN)C(=O)O Z431542704 [1,1,0,0,0,0|1,0,1]=4 174 B6R0.3 CC(CO)C(=O)O Z431541400 [1,1,0,0,0,0|0,0,1]=3 175 B6R0.3 CCC(C)C(=O)O Z237374874 [1,1,0,0,0,0|1,0,1]=4 176 B6R0.3 CCC(N)C(=O)O Z104495144 [1,1,0,0,0,0|1,0,1]=4 177 B6R0.3 CCC(O)C(=O)O Z246073650 [1,1,0,0,0,0|1,0,1]=4 178 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [1,1,0,0,0,0|1,0,1]=4 179 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [1,1,0,0,0,0|1,0,1]=4 180 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [1,1,0,0,0,0|1,0,1]=4 181 B6R0.3 CNC(C)C(=O)O Z1278590830 [1,1,0,0,0,0|2,0,0]=4 182 B6R0.3 COC(C)C(=O)O Z316258898 [1,1,0,0,0,0|2,0,0]=4 183 B6R0.3 CSC(C)C(=O)O Z149191750 [1,1,0,0,0,0|2,0,0]=4 184 B6R0.3 NC(CO)C(=O)O Z57396986 [1,1,0,0,0,0|0,0,1]=3 185 B6R0.3 NC(CS)C(=O)O Z966690626 [1,1,0,0,0,0|0,1,1]=4 186 B6R0.3 NCC(N)C(=O)O Z2465863279 [1,1,0,0,0,0|1,0,1]=4 187 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [1,1,0,0,0,0|1,0,1]=4 188 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [1,1,0,0,0,0|0,0,1]=3 189 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [1,1,0,0,0,0|0,1,1]=4 190 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [1,1,0,0,0,0|0,0,1]=3 191 B6R0.4 C#CCCC(=O)O Z295890062 [1,1,0,0,0,0|1,0,1]=4 192 B6R0.4 C=CCCC(=O)C Z406376894 [1,1,0,0,0,0|2,0,0]=4 193 B6R0.4 C=CCCC(=O)O Z995028722 [1,1,0,0,0,0|1,0,0]=3 194 B6R0.4 C=CCNC(=O)C Z32064466 [1,1,0,0,0,0|2,0,0]=4 195 B6R0.4 C=CCNC(=O)N Z56904662 [1,1,0,0,0,0|2,0,0]=4 196 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,1,0,0,0,0|1,0,1]=4 197 B6R0.4 CCCCC(=O)O Z104473312 [1,1,0,0,0,0|1,0,1]=4 198 B6R0.4 CCNCC(=O)O Z744593094 [1,1,0,0,0,0|1,0,1]=4 199 B6R0.4 CCOCC(=O)O Z104495232 [1,1,0,0,0,0|1,0,1]=4 200 B6R0.4 COCCC(=O)C Z362119682 [1,1,0,0,0,0|1,0,1]=4 201 B6R0.4 COCCC(=O)N Z394696458 [1,1,0,0,0,0|1,0,1]=4 202 B6R0.4 COCCC(=O)O Z285184634 [1,1,0,0,0,0|0,0,1]=3 203 B6R0.4 CS/C=C/C(=O)O Z1868430572 [1,1,0,0,0,0|0,1,1]=4 204 B6R0.4 CSCCC(=O)O Z54719251 [1,1,0,0,0,0|0,1,1]=4 205 B6R0.4 NC(=O)CCCO Z1203578394 [1,1,0,0,0,0|1,0,1]=4 206 B6R0.4 NC(=O)OCCO Z1198158440 [1,1,0,0,0,0|1,0,1]=4 207 B6R0.4 NCCCC(=O)O Z104475620 [1,1,0,0,0,0|1,0,1]=4 208 B6R0.4 O=C(O)/C=C/CO Z3178016098 [1,1,0,0,0,0|0,0,1]=3 209 B6R0.4 O=C(O)C#CCO Z1198169479 [1,1,0,0,0,0|0,0,2]=4 210 B6R0.4 O=C(O)CCCS Z147642510 [1,1,0,0,0,0|0,1,1]=4 211 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [0,1,0,0,0,1|1,0,0]=3 212 B8R0.9 CCC(=O)NCC(=O)O Z85886715 [0,1,0,0,0,1|1,0,0]=3 213 B8R0.9 CNC(=O)CCC(=O)O Z429593572 [0,1,0,0,0,1|1,0,0]=3 214 B8R0.9 CNC(=O)CNC(=O)C Z32016377 [0,1,0,0,0,1|2,0,0]=4 215 B8R0.9 CNC(=O)NCC(=O)O Z223126780 [0,1,0,0,0,1|1,0,0]=3 216 B8R0.9 COC(=O)/C=C/C(=O)O Z2315585555 [0,1,0,0,0,1|0,0,1]=3 217 B8R0.9 COC(=O)CCC(=O)O Z57663583 [0,1,0,0,0,1|0,0,0]=2 218 B8R0.9 COC(=O)NCC(=O)O Z111492620 [0,1,0,0,0,1|0,0,0]=2 219 B8R0.9 COC(C)CCC(=O)O Z963595334 [0,1,0,0,0,1|1,0,1]=4 220 B8R0.9 NCC(=O)CCC(=O)O Z1741972992 [0,1,0,0,0,1|1,0,0]=3 221 B8R0.9 NCC(=O)NCC(=O)O Z56896934 [0,1,0,0,0,1|1,0,0]=3 222 B8R0.23 C/C(=C\C(=O)O)/C(=O)O Z104476308 [0,1,0,0,0,1|0,0,1]=3 223 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [0,1,0,0,0,1|2,0,0]=4 224 B8R0.23 C=C(CC(=O)O)C(=O)O Z57127539 [0,1,0,0,0,1|0,0,0]=2 225 B8R0.23 C=C(Cl)CC(N)C(=O)O Z2689845474 [0,1,0,0,0,1|2,0,0]=4 226 B8R0.23 CC(=O)N(C)CC(=O)O Z85895184 [0,1,0,0,0,1|1,0,0]=3 227 B8R0.23 CC(=O)NC(C)C(=O)O Z104483794 [0,1,0,0,0,1|1,0,0]=3 228 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Z98655371 [0,1,0,0,0,1|1,0,0]=3 229 B8R0.23 CC(=O)N[C@H](C)C(=O)O Z829930658 [0,1,0,0,0,1|1,0,0]=3 230 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [0,1,0,0,0,1|1,0,0]=3 231 B8R0.23 CC(CC(=O)O)C(=O)N Z1203579878 [0,1,0,0,0,1|1,0,0]=3 232 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [0,1,0,0,0,1|2,0,0]=4 233 B8R0.23 CC(NC(=O)N)C(=O)O Z56858169 [0,1,0,0,0,1|1,0,0]=3 234 B8R0.23 CN(CC(=O)O)C(=N)N Z1203577925 [0,1,0,0,0,1|2,0,0]=4 235 B8R0.23 CN(CC(=O)O)C(=O)N Z126513734 [0,1,0,0,0,1|1,0,0]=3 236 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [0,1,0,0,0,1|1,0,0]=3 237 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [0,1,0,0,0,1|1,0,0]=3 238 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [0,1,0,0,0,1|1,0,0]=3 239 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [0,1,0,0,0,1|1,0,0]=3 240 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [0,1,0,0,0,1|0,0,0]=2 241 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [0,1,0,0,0,1|0,0,0]=2 242 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [0,1,0,0,0,1|0,0,0]=2 243 B8R0.23 O=C(O)/C=C(\I)/C(=O)O Z540727104 [0,1,0,0,0,1|0,0,1]=3 244 B8R0.23 O=C(O)CC(=O)C(=O)O Z271128590 [0,1,0,0,0,1|0,0,0]=2 245 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,1,0,0,0,1|0,0,0]=2 246 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [0,1,0,0,0,1|0,0,0]=2 247 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,1,0,0,0,1|0,0,0]=2 248 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,1,0,0,0,1|0,0,0]=2 249 B8R0.29 CS(=O)(=O)CCC(=O)O Z295403530 [0,1,0,0,0,1|1,0,1]=4 250 B8R0.29 NS(=O)(=O)CCC(=O)O Z327222556 [0,1,0,0,0,1|1,0,1]=4 251 B8R0.29 NS(=O)(=O)NCC(=O)O Z295879318 [0,1,0,0,0,1|1,0,1]=4 252 B8R0.29 O=C(O)CCS(=O)(=O)[O-] Z2301438443 [0,1,0,0,0,1|1,0,1]=4 253 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Z1205494177 [0,2,0,0,0,0|1,0,1]=4 254 B8R0.2 COC(=O)C(C)C(=O)C Z839827758 [0,2,0,0,0,0|1,0,0]=3 255 B8R0.2 COC(=O)C(N)C(C)O Z1695799434 [0,2,0,0,0,0|1,0,1]=4 256 B8R0.2 COC(C)C(O)C(=O)O Z1509040637 [0,2,0,0,0,0|1,0,1]=4 257 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Z3270796459 [0,2,0,0,0,0|1,0,1]=4 258 B8R0.2 O=C/C(=C(\Cl)/C(=O)O)/Cl Z147641078 [0,2,0,0,0,0|1,0,1]=4 259 B8R0.5 CCCC(O)CC(=O)O Z982132146 [0,2,0,0,0,0|1,0,1]=4 260 B8R0.5 CCOC(=O)CC(=O)C Z104473158 [0,2,0,0,0,0|1,0,0]=3 261 B8R0.5 CCOC(=O)CC(=S)N Z94602417 [0,2,0,0,0,0|1,1,0]=4 262 B8R0.5 CCOC(=O)C[N+](=O)[O-] Z431554230 [0,2,0,0,0,0|1,0,1]=4 263 B8R0.5 COC/C(=C/C(=O)O)/C Z992443856 [0,2,0,0,0,0|1,0,1]=4 264 B8R0.5 COCC(C)CC(=O)O Z992443864 [0,2,0,0,0,0|1,0,1]=4 265 B8R0.16 COC(CN)CC(=O)O Z1827898018 [0,2,0,0,0,0|1,0,1]=4 266 B8R0.19 COC(=O)NC(=O)CCl Z57014427 [0,2,0,0,0,0|2,0,0]=4 267 B8R0.19 COC(=O)NC(=O)CI Z1250132865 [0,2,0,0,0,0|2,0,0]=4 268 B8R0.24 COC(=O)CC(C)(C)O Z2242043764 [0,2,0,0,0,0|1,0,1]=4 269 B8R0.24 O=C(CP(=O)(O)O)NO Z1999520090 [0,2,0,0,0,0|1,0,0]=3 270 B8R0.34 CC(O)(CN)CC(=O)O Z2379087949 [0,2,0,0,0,0|1,0,1]=4 271 B8R0.34 CCS(=O)(=O)CC(=O)O Z295402464 [0,2,0,0,0,0|1,0,1]=4 272 B8R0.34 CNS(=O)(=O)CC(=O)O Z351064480 [0,2,0,0,0,0|1,0,1]=4 273 B8R0.34 COC(C)(C)CC(=O)O Z1205494411 [0,2,0,0,0,0|1,0,1]=4 274 B8R0.27 CC(C(=O)O)S(=O)(=O)C Z295403352 [0,2,0,0,0,0|1,0,1]=4 275 B8R0.27 CC(C(=O)O)S(=O)(=O)O Z1262510815 [0,2,0,0,0,0|1,0,0]=3 276 B8R0.27 CC(C)(O)C(O)C(=O)O Z1205493888 [0,2,0,0,0,0|1,0,1]=4 277 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O Z1205494143 [0,2,0,0,0,0|1,0,1]=4 278 B8R0.27 CP(=O)(C)C(O)C(=O)O Z1262512998 [0,2,0,0,0,0|2,0,0]=4 279 B8R0.18 CCC(C(=O)C)C(=O)C Z119984130 [0,2,0,0,0,0|2,0,0]=4 280 B8R0.37 CC(C)(C(=O)N)C(=O)O Z1198174895 [0,2,0,0,0,0|1,0,0]=3 281 B8R0.37 CC(N)(C(=O)O)C(=O)O Z4968335428 [0,2,0,0,0,0|0,0,0]=2 282 B8R0.37 CC(O)C(C)(N)C(=O)O Z2768110660 [0,2,0,0,0,0|1,0,1]=4 283 B8R0.37 CC(O)C(C)(O)C(=O)O Z1205494313 [0,2,0,0,0,0|1,0,1]=4 284 B8R0.37 NC(=O)C(F)(F)C(=O)N Z1203578477 [0,2,0,0,0,0|2,0,0]=4 285 B6R1.2 O=C1C=CCO1 Z1219048777 [1,0,0,1,0,0|1,0,1]=4 286 B6R1.2 OC1=NOC=C1 Z1255501207 [1,0,0,1,0,0|1,0,1]=4 287 B8R1.3 O=C1CCC(=O)CC1 Z877626718 [0,0,0,1,0,1|2,0,0]=4 288 B8R1.3 O=C1CCC(=O)NC1 Z1198221828 [0,0,0,1,0,1|2,0,0]=4 289 B8R1.3 O=C1CNC(=O)CN1 Z56854487 [0,0,0,1,0,1|2,0,0]=4 290 B8R1.3 O=C1COC(=O)CO1 Z1201618919 [0,0,0,1,0,1|1,0,0]=3 291 B8R1.23 NC(=O)C1CC(=O)C1 Z1486002682 [0,0,0,1,0,1|2,0,0]=4 292 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [0,0,0,1,0,1|1,0,0]=3 293 B8R1.1 O=C1C=C(CO1)CO Z1486015893 [0,1,0,1,0,0|1,0,1]=4 294 B8R1.4 O=C1COCC(=O)N1 Z802811418 [0,1,0,1,0,0|2,0,0]=4 295 B8R1.4 O=C1COCC(=O)O1 Z85923414 [0,1,0,1,0,0|2,0,0]=4 296 B8R1.4 O=C1CSCC(=O)C1 Z1255373195 [0,1,0,1,0,0|1,1,0]=4 297 B8R1.40 COC(=O)CC1CO1 Z2689606459 [0,1,0,1,0,0|1,0,1]=4 298 B8R1.43 O=C[C@@H]1C[C@H]1C(=O)O Z3664810585 [0,1,0,1,0,0|1,0,1]=4 299 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Z2944291920 [0,1,0,1,0,0|1,0,1]=4 300 B8R1.50 CC1C(=O)CCC1=O Z104503660 [0,1,0,1,0,0|2,0,0]=4 301 B8R1.50 CN1C(=O)COC1=O Z1618025816 [0,1,0,1,0,0|2,0,0]=4 302 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [0,0,0,0,0,2|2,0,0]=4 303 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [0,0,0,0,0,2|1,0,0]=3 304 B8R0.28 CC(=O)CSCC(=O)[O-] Z1359429555 [0,0,0,0,0,2|1,0,1]=4 305 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [0,0,0,0,0,2|1,0,0]=3 306 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [0,0,0,0,0,2|1,0,0]=3 307 B8R0.28 N=C(N)NCCC(=O)O Z959165114 [0,0,0,0,0,2|2,0,0]=4 308 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [0,0,0,0,0,2|1,0,0]=3 309 B8R0.28 NC(=O)CNCC(=O)N Z162774608 [0,0,0,0,0,2|2,0,0]=4 310 B8R0.28 NC(=O)CNCC(=O)O Z4658099947 [0,0,0,0,0,2|1,0,0]=3 311 B8R0.28 NC(=O)CSCC(=O)O Z19691778 [0,0,0,0,0,2|1,0,0]=3 312 B8R0.28 NC(=O)NCCC(=O)O Z56347556 [0,0,0,0,0,2|1,0,0]=3 313 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [0,0,0,0,0,2|0,0,0]=2 314 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [0,0,0,0,0,2|0,0,0]=2 315 B8R0.28 O=C(O)COCC(=O)O Z57965384 [0,0,0,0,0,2|0,0,0]=2 316 B8R0.28 O=C(O)CSCC(=O)O Z104478584 [0,0,0,0,0,2|0,0,0]=2