0 B8R0.9 C=CC(N)CCC(=O)O Z1255431434 [0,0,0,0,0,0|0,0,0]=0 1 B8R0.9 CC(CN)CCC(=O)O Z1739254655 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [0,0,0,0,0,0|1,0,3]=4 3 B8R0.9 CCC(C)CCC(=O)C Z955111260 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.9 CCC(C)CCC(=O)O Z955111774 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.9 CCC(C)NCC(=O)O Z425484950 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.9 CCC(C)OCC(=O)O Z839103364 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.9 CCN(C)CCC(=O)O Z1259335747 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.9 CNC(=O)CCC(=O)O Z429593572 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.9 COC(=O)CCC(=O)O Z57663583 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.9 COC(C)CCC(=O)O Z963595334 [0,0,0,0,0,0|2,0,1]=3 11 B8R0.9 CSC(C)CCC(=O)O Z963595804 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.9 NCC(=O)CCC(=O)O Z1741972992 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [0,0,0,0,0,0|1,0,1]=2 14 B7R0.4 C#CCNCC(=O)O Z2513337624 [1,0,0,0,0,0|1,0,2]=4 15 B7R0.4 C#CCOCC(=O)O Z362807246 [1,0,0,0,0,0|1,0,2]=4 16 B7R0.4 C#CCSCC(=O)O Z149151642 [1,0,0,0,0,0|1,0,2]=4 17 B7R0.4 C=CCCCC(=O)O Z1205493561 [1,0,0,0,0,0|0,0,0]=1 18 B7R0.4 C=CCNCC(=O)O Z803145546 [1,0,0,0,0,0|1,0,0]=2 19 B7R0.4 C=CCOCC(=O)O Z362807794 [1,0,0,0,0,0|1,0,0]=2 20 B7R0.4 C=CCSCC(=O)O Z149151274 [1,0,0,0,0,0|1,0,0]=2 21 B7R0.4 CC#CCCC(=O)O Z1205493674 [1,0,0,0,0,0|0,0,3]=4 22 B7R0.4 CCCCCC(=O)O Z104503532 [1,0,0,0,0,0|0,0,2]=3 23 B7R0.4 CCCNCC(=O)O Z744582718 [1,0,0,0,0,0|1,0,2]=4 24 B7R0.4 CCCOCC(=O)O Z406677750 [1,0,0,0,0,0|1,0,2]=4 25 B7R0.4 CCCSCC(=O)O Z228425458 [1,0,0,0,0,0|1,0,2]=4 26 B7R0.4 CCNCCC(=O)O Z1869802098 [1,0,0,0,0,0|1,0,2]=4 27 B7R0.4 CCOCCC(=O)O Z316258938 [1,0,0,0,0,0|1,0,2]=4 28 B7R0.4 CCSCCC(=O)O Z197206046 [1,0,0,0,0,0|1,0,2]=4 29 B7R0.4 CNCCCC(=O)O Z57043473 [1,0,0,0,0,0|1,0,1]=3 30 B7R0.4 COCCCC(=O)C Z406376722 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.4 COCCCC(=O)O Z316258912 [1,0,0,0,0,0|1,0,1]=3 32 B7R0.4 CSCCCC(=O)O Z54602911 [1,0,0,0,0,0|1,0,1]=3 33 B7R0.4 N#CCCCC(=O)O Z1198152304 [1,0,0,0,0,0|1,0,1]=3 34 B7R0.4 N#CCSCC(=O)O Z19691779 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.4 NCCCCC(=O)N Z1639630947 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.4 NCCCCC(=O)O Z271111992 [1,0,0,0,0,0|1,0,1]=3 37 B7R0.4 NCCNCC(=O)O Z2692249907 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.4 NCCOCC(=O)O Z1650039500 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.4 NCCSCC(=O)O Z1381287295 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.4 O=C(O)CCCCBr Z104479696 [1,0,0,0,0,0|1,0,1]=3 41 B7R0.4 O=C(O)CCCCS Z808230828 [1,0,0,0,0,0|1,0,1]=3 42 B7R0.4 O=C(O)CNCCO Z425411352 [1,0,0,0,0,0|2,0,1]=4 43 B7R0.4 O=C([O-])CCCCO Z2335631573 [1,0,0,0,0,0|1,0,2]=4 44 B7R0.6 CC(=O)CCC(=O)O Z104477318 [1,0,0,0,0,0|1,0,2]=4 45 B7R0.6 CC(C)CCC(=O)O Z56347204 [1,0,0,0,0,0|1,0,1]=3 46 B7R0.6 CC(C)NCC(=O)O Z359419672 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.6 CC(C)OCC(=O)O Z316259244 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.6 CC(C)SCC(=O)O Z214812600 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.6 CC(N)CCC(=O)O Z1235963367 [1,0,0,0,0,0|0,0,1]=2 50 B7R0.6 CC(N)CCS(=O)C Z1269750451 [1,0,0,0,0,0|2,0,1]=4 51 B7R0.6 CC(O)CCC(=O)O Z838959470 [1,0,0,0,0,0|1,0,1]=3 52 B7R0.6 CN(C)CCC(=O)O Z168912830 [1,0,0,0,0,0|2,0,1]=4 53 B7R0.6 CS(=O)CCC(=O)O Z667974346 [1,0,0,0,0,0|2,0,1]=4 54 B7R0.6 N=C(N)NCC(=O)O Z586248684 [1,0,0,0,0,0|2,0,1]=4 55 B7R0.6 N=C(N)SCC(=O)O Z2944342055 [1,0,0,0,0,0|2,0,1]=4 56 B7R0.6 NC(=O)NCC(=O)O Z57009586 [1,0,0,0,0,0|2,0,1]=4 57 B7R0.6 O=C(O)CCC(=O)O Z57127453 [1,0,0,0,0,0|2,0,1]=4 58 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [0,1,0,0,0,0|2,0,0]=3 59 B9R0.7 CC(C)C(N)CCC(=O)O Z4607148563 [0,1,0,0,0,0|0,0,2]=3 60 B9R0.7 CC(CCC(=O)O)N(C)C Z2732402258 [0,1,0,0,0,0|2,0,1]=4 61 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [0,1,0,0,0,0|3,0,0]=4 62 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [0,1,0,0,0,0|2,0,0]=3 63 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [0,1,0,0,0,0|2,0,0]=3 64 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [0,1,0,0,0,0|2,0,0]=3 65 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [0,1,0,0,0,0|1,0,0]=2 66 B9R0.7 NC(CCC(=O)O)C(F)F Z2733335696 [0,1,0,0,0,0|1,0,1]=3 67 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [0,1,0,0,0,0|1,0,0]=2 68 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [0,1,0,0,0,0|1,0,0]=2 69 B9R0.7 O=C(O)CCC(=O)C(=O)O Z57127547 [0,1,0,0,0,0|2,0,1]=4 70 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] Z3767523054 [0,1,0,0,0,0|2,0,1]=4 71 B9R0.23 C=CC(=O)N(C)CC(=O)O Z316091412 [0,1,0,0,0,0|2,0,1]=4 72 B9R0.23 CCC(C)C(O)CC(=O)O Z982132268 [0,1,0,0,0,0|1,0,2]=4 73 B9R0.24 COC(=O)CCC(C)OC Z1634338049 [0,1,0,0,0,0|2,0,1]=4 74 B9R0.42 C=CC(=O)NC(O)C(=O)O Z1203731084 [0,1,0,0,0,0|2,0,1]=4 75 B9R0.42 CCC(C)CC(N)C(=O)O Z2306603552 [0,1,0,0,0,0|1,0,2]=4 76 B9R0.42 O=C(O)C(O)CC(O)CO Z1262514590 [0,1,0,0,0,0|2,0,1]=4 77 B9R1.1 O=CC1CCC(=O)CC1 Z1198165293 [0,0,0,1,0,0|3,0,0]=4 78 B9R1.35 CC1CC(CO1)C(=O)O Z1509040560 [0,0,0,1,0,0|2,0,1]=4 79 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [0,0,0,1,0,0|1,0,2]=4 80 B9R1.35 CC1COC(C1)C(=O)O Z2785866738 [0,0,0,1,0,0|2,0,1]=4 81 B9R1.35 NC(=O)[C@H]1CC[C@H](C1)N Z2238896801 [0,0,0,1,0,0|1,0,2]=4 82 B9R1.35 NC1C=CC(C1)C(=O)O Z1350606478 [0,0,0,1,0,0|0,0,0]=1 83 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O Z2307368779 [0,0,0,1,0,0|0,0,2]=3 84 B9R1.35 O=C(O)C1CCC(C1)F Z1981870592 [0,0,0,1,0,0|1,0,2]=4 85 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O Z2470415380 [0,0,0,1,0,0|2,0,1]=4 86 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O Z802856442 [0,0,0,1,0,0|2,0,1]=4 87 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O Z1201624589 [0,0,0,1,0,0|2,0,1]=4 88 B9R1.67 NC1CCC1CC(=O)O Z4080002320 [0,0,0,1,0,0|0,0,2]=3 89 B9R1.69 CC1NC(=O)CCC1N Z1509112048 [0,0,0,1,0,0|1,0,2]=4 90 B9R1.69 NC1CCC(=O)NC1=O Z1474026683 [0,0,0,1,0,0|2,0,0]=3 91 B9R1.86 NC[C@@H]1C[C@@H]1CC(=O)O Z4913154380 [0,0,0,1,0,0|2,0,1]=4 92 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O Z2681202678 [0,0,0,1,0,0|2,0,1]=4 93 B9R1.95 N#C[C@H]1C[C@@H](C1)C(=O)O Z4320204664 [0,0,0,1,0,0|2,0,1]=4 94 B9R1.95 NCC1CC(C1)C(=O)O Z3247510672 [0,0,0,1,0,0|2,0,1]=4 95 B9R1.127 CCC1(CC1C(=O)O)C Z979743330 [0,0,0,1,0,0|1,0,2]=4 96 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,0,0,0,1,0|2,0,1]=4 97 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,0,0,0,1,0|1,0,2]=4 98 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,0,0,0,1,0|0,0,2]=3 99 B7R0.2 COC(C)CC(=O)O Z431536426 [0,0,0,0,1,0|2,0,1]=4 100 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,0,0,0,1,0|2,0,1]=4 101 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,0,0,0,1,0|2,0,1]=4 102 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,0,0,0,1,0|2,0,1]=4 103 B9R0.1 C=CC(=O)NCCC(=O)[O-] Z1474026249 [0,0,0,0,0,1|1,0,2]=4 104 B6R0.1 CCC(N)CCO Z1258578227 [2,0,0,0,0,0|0,0,2]=4 105 B6R0.4 C#CCCC(=O)O Z295890062 [2,0,0,0,0,0|0,0,2]=4 106 B6R0.4 C=CCCC(=O)C Z406376894 [2,0,0,0,0,0|1,0,0]=3 107 B6R0.4 C=CCCC(=O)O Z995028722 [2,0,0,0,0,0|0,0,0]=2 108 B6R0.4 C=CCCC(C)N Z3681295487 [2,0,0,0,0,0|1,0,1]=4 109 B6R0.4 C=CCNC(=O)C Z32064466 [2,0,0,0,0,0|2,0,0]=4 110 B6R0.4 C=CCNC(=O)N Z56904662 [2,0,0,0,0,0|2,0,0]=4 111 B6R0.4 CC(=O)OCCN Z1973465551 [2,0,0,0,0,0|2,0,0]=4 112 B6R0.4 CC(N)CCCO Z1203578676 [2,0,0,0,0,0|0,0,2]=4 113 B6R0.4 CC(O)CCCN Z1198178891 [2,0,0,0,0,0|1,0,1]=4 114 B6R0.4 CCCCC(=O)N Z104476278 [2,0,0,0,0,0|1,0,1]=4 115 B6R0.4 CCCCC(=O)O Z104473312 [2,0,0,0,0,0|0,0,1]=3 116 B6R0.4 CCNCC(=O)O Z744593094 [2,0,0,0,0,0|1,0,1]=4 117 B6R0.4 CCOCC(=O)O Z104495232 [2,0,0,0,0,0|1,0,1]=4 118 B6R0.4 COCCC(=O)O Z285184634 [2,0,0,0,0,0|1,0,1]=4 119 B6R0.4 CSCCC(=O)O Z54719251 [2,0,0,0,0,0|1,0,1]=4 120 B6R0.4 NC(=O)CCCO Z1203578394 [2,0,0,0,0,0|2,0,0]=4 121 B6R0.4 NCCCC(=O)N Z398513418 [2,0,0,0,0,0|1,0,0]=3 122 B6R0.4 NCCCC(=O)O Z104475620 [2,0,0,0,0,0|0,0,0]=2 123 B6R0.4 NCCCS(=O)O Z1203579399 [2,0,0,0,0,0|1,0,0]=3 124 B6R0.4 NCCNC(=O)N Z1268152381 [2,0,0,0,0,0|2,0,0]=4 125 B6R0.4 NCCOC(=O)N Z1587257433 [2,0,0,0,0,0|2,0,0]=4 126 B6R0.4 O=C(O)CCCS Z147642510 [2,0,0,0,0,0|1,0,0]=3 127 B6R0.6 C=CCCCCN Z1198160046 [2,0,0,0,0,0|1,0,1]=4 128 B6R0.6 C=CCNCC=C Z104474454 [2,0,0,0,0,0|2,0,0]=4 129 B6R0.6 C=CCNCCO Z137800938 [2,0,0,0,0,0|1,0,1]=4 130 B6R0.6 C=CCSCC=C Z1208219429 [2,0,0,0,0,0|2,0,0]=4 131 B6R0.6 O=CCCCC=O Z57127529 [2,0,0,0,0,0|1,0,0]=3 132 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [1,1,0,0,0,0|2,0,0]=4 133 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [1,1,0,0,0,0|1,0,1]=4 134 B8R0.5 CCCC(C)CC(=O)O Z352782810 [1,1,0,0,0,0|0,0,2]=4 135 B8R0.5 CCCC(O)CC(=O)O Z982132146 [1,1,0,0,0,0|0,0,2]=4 136 B8R0.5 COCC(C)CC(=O)O Z992443864 [1,1,0,0,0,0|1,0,1]=4 137 B8R0.7 C#CCCNCC(=O)O Z4916843541 [1,1,0,0,0,0|0,0,2]=4 138 B8R0.7 C#CCCOCC(=O)O Z1205655947 [1,1,0,0,0,0|0,0,2]=4 139 B8R0.7 C#CCOCCC(=O)O Z362807240 [1,1,0,0,0,0|0,0,2]=4 140 B8R0.7 C=CCCOCC(=O)O Z362807886 [1,1,0,0,0,0|0,0,0]=2 141 B8R0.7 C=CCNCCC(=O)O Z3388124649 [1,1,0,0,0,0|0,0,0]=2 142 B8R0.7 CC#CCCCC(=O)O Z1205494323 [1,1,0,0,0,0|0,0,2]=4 143 B8R0.7 CCCCCCC(=O)O Z104474412 [1,1,0,0,0,0|0,0,2]=4 144 B8R0.7 CCCCOCC(=O)O Z409190912 [1,1,0,0,0,0|0,0,2]=4 145 B8R0.7 CCCCSCC(=O)O Z239951532 [1,1,0,0,0,0|0,0,2]=4 146 B8R0.7 CCCNCCC(=O)O Z2944330072 [1,1,0,0,0,0|0,0,2]=4 147 B8R0.7 CCNCCCC(=O)O Z2937339976 [1,1,0,0,0,0|0,0,2]=4 148 B8R0.7 CCOCCCC(=O)O Z316258950 [1,1,0,0,0,0|0,0,2]=4 149 B8R0.7 CNCCCCC(=O)O Z3034937142 [1,1,0,0,0,0|0,0,2]=4 150 B8R0.7 COCCCCC(=O)O Z362633826 [1,1,0,0,0,0|0,0,2]=4 151 B8R0.7 COCCNCC(=O)O Z1276446903 [1,1,0,0,0,0|1,0,1]=4 152 B8R0.7 COCCOCC(=O)O Z104477918 [1,1,0,0,0,0|1,0,1]=4 153 B8R0.7 COCCSCC(=O)O Z167837764 [1,1,0,0,0,0|1,0,1]=4 154 B8R0.7 CSCCCCC(=O)O Z732206636 [1,1,0,0,0,0|0,0,2]=4 155 B8R0.7 CSCCNCC(=O)O Z2512524162 [1,1,0,0,0,0|1,0,1]=4 156 B8R0.7 N#CCCSCC(=O)O Z1205494587 [1,1,0,0,0,0|1,0,1]=4 157 B8R0.7 NCCCCCC(=O)O Z1272730910 [1,1,0,0,0,0|0,0,2]=4 158 B8R0.7 NCCCOCC(=O)O Z3178895188 [1,1,0,0,0,0|1,0,1]=4 159 B8R0.7 NCCOCCC(=O)O Z1262546494 [1,1,0,0,0,0|1,0,1]=4 160 B8R0.7 O=C(O)CCCCCBr Z104477716 [1,1,0,0,0,0|0,0,2]=4 161 B8R0.7 O=C(O)CCCCCF Z1205494157 [1,1,0,0,0,0|0,0,2]=4 162 B8R0.7 O=C(O)CCNCCO Z53116574 [1,1,0,0,0,0|1,0,1]=4 163 B8R0.21 C=CCCCS(=O)(=O)N Z1217214778 [1,1,0,0,0,0|1,0,1]=4 164 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [1,1,0,0,0,0|0,0,2]=4 165 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [1,1,0,0,0,0|0,0,1]=3 166 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [1,1,0,0,0,0|1,0,1]=4 167 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [1,1,0,0,0,0|1,0,1]=4 168 B8R0.28 CC(C)CCCC(=O)O Z426022098 [1,1,0,0,0,0|0,0,2]=4 169 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [1,1,0,0,0,0|0,0,2]=4 170 B8R0.28 N=C(N)NCCC(=O)O Z959165114 [1,1,0,0,0,0|2,0,0]=4 171 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [1,1,0,0,0,0|1,0,0]=3 172 B8R0.28 NC(=O)CNCC(=O)O Z4658099947 [1,1,0,0,0,0|2,0,0]=4 173 B8R0.28 NC(=O)CSCC(=O)O Z19691778 [1,1,0,0,0,0|2,0,0]=4 174 B8R0.28 NC(=O)NCCC(=O)O Z56347556 [1,1,0,0,0,0|2,0,0]=4 175 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [1,1,0,0,0,0|1,0,0]=3 176 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [1,1,0,0,0,0|2,0,0]=4 177 B8R0.28 O=C(O)COCC(=O)O Z57965384 [1,1,0,0,0,0|2,0,0]=4 178 B8R0.28 O=C(O)CSCC(=O)O Z104478584 [1,1,0,0,0,0|2,0,0]=4 179 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [1,1,0,0,0,0|1,0,1]=4 180 B8R0.23 C=C(Cl)CC(N)C(=O)O Z2689845474 [1,1,0,0,0,0|1,0,1]=4 181 B8R0.23 CC(C)C(C)CC(=O)O Z234897253 [1,1,0,0,0,0|1,0,1]=4 182 B8R0.23 CC(C)C(N)CC(=O)O Z975823290 [1,1,0,0,0,0|1,0,1]=4 183 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [1,1,0,0,0,0|1,0,1]=4 184 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [1,1,0,0,0,0|1,0,1]=4 185 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [1,1,0,0,0,0|1,0,1]=4 186 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [1,1,0,0,0,0|1,0,1]=4 187 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [1,1,0,0,0,0|1,0,1]=4 188 B8R0.23 CC(CC(=O)O)C(=O)N Z1203579878 [1,1,0,0,0,0|1,0,1]=4 189 B8R0.23 CC(CC(F)F)C(=O)O Z1198342616 [1,1,0,0,0,0|2,0,0]=4 190 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [1,1,0,0,0,0|0,0,1]=3 191 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [1,1,0,0,0,0|1,0,1]=4 192 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [1,1,0,0,0,0|1,0,1]=4 193 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [1,1,0,0,0,0|1,0,1]=4 194 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [1,1,0,0,0,0|1,0,1]=4 195 B8R0.23 NC(CC(F)F)C(=O)O Z1250080925 [1,1,0,0,0,0|2,0,0]=4 196 B8R0.29 CC(C)(C)CCC(=O)O Z819990896 [1,1,0,0,0,0|1,0,1]=4 197 B8R0.29 CC(C)(N)CCC(=O)O Z1259041013 [1,1,0,0,0,0|0,0,1]=3 198 B8R0.29 CC(F)(F)CCC(=O)O Z316121454 [1,1,0,0,0,0|1,0,1]=4 199 B8R0.29 NS(=O)(=O)CCC(=O)O Z327222556 [1,1,0,0,0,0|2,0,0]=4 200 B8R0.2 C=CC(C)C(C)C(=O)O Z1205494257 [0,1,0,0,1,0|1,0,0]=3 201 B8R0.16 CCC(CN)CC(=O)O Z1436181093 [0,1,0,0,1,0|0,0,2]=4 202 B8R0.16 COC(CN)CC(=O)O Z1827898018 [0,1,0,0,1,0|1,0,1]=4 203 B8R0.34 C=CC(C)(C)CC(=O)O Z1198162637 [0,1,0,0,1,0|1,0,0]=3 204 B10R0.3 O=C(O)CCNC(=O)/C=C/Cl Z2888817024 [0,1,0,0,0,1|1,0,1]=4 205 B10R0.59 C=CC(=O)NCCC(=O)OC Z445202904 [0,1,0,0,0,1|1,0,1]=4 206 B10R0.82 CCC(N)COC(C)C(=O)O Z5122110101 [0,1,0,0,0,1|0,0,2]=4 207 B10R0.98 CC(C)C(N)CCCC(=O)O Z4573099344 [0,1,0,0,0,1|0,0,2]=4 208 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Z1222399234 [0,1,0,0,0,1|1,0,0]=3 209 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Z1255486317 [0,1,0,0,0,1|1,0,0]=3 210 B10R0.12 NC(CCC(=O)O)C(F)(F)F Z2942397371 [0,2,0,0,0,0|1,0,1]=4 211 B10R0.43 CC(=O)C(C)(C)CCC(=O)O Z1262511309 [0,2,0,0,0,0|1,0,1]=4 212 B10R0.43 CC(C)(CCC(=O)O)C(=O)O Z1255464958 [0,2,0,0,0,0|2,0,0]=4 213 B10R0.92 CP(=O)(O)CCC(N)C(=O)O Z2737639744 [0,2,0,0,0,0|2,0,0]=4 214 B10R0.93 C=C(CC(N)C(=O)O)C(=O)O Z3444602422 [0,2,0,0,0,0|1,0,1]=4 215 B10R0.93 CC(CC(C)C(=O)O)C(=O)O Z1255485193 [0,2,0,0,0,0|2,0,0]=4 216 B10R0.121 CCC(N)(CC)CCC(=O)O Z5297198805 [0,2,0,0,0,0|0,0,2]=4 217 B10R0.96 CC(CCC(=O)O)CC(=O)O Z104477714 [0,2,0,0,0,0|1,0,1]=4 218 B8R1.1 CCC1CCC(=O)N1 Z1203731077 [1,0,0,1,0,0|0,0,2]=4 219 B8R1.1 NCC1CCC(=O)N1 Z1171481666 [1,0,0,1,0,0|1,0,1]=4 220 B8R1.1 O=C1CCC(N1)CO Z235344363 [1,0,0,1,0,0|1,0,1]=4 221 B8R1.1 O=C1CC[C@H](N1)CO Z235344345 [1,0,0,1,0,0|1,0,1]=4 222 B8R1.2 C=CC1CCCCN1 Z2142036752 [1,0,0,1,0,0|1,0,1]=4 223 B8R1.3 CC1=CCC(CC1)N Z3857655203 [1,0,0,1,0,0|1,0,1]=4 224 B8R1.3 NC1CCC(=O)CC1 Z1198169628 [1,0,0,1,0,0|0,0,2]=4 225 B8R1.3 NC1CCC(=O)NC1 Z992717028 [1,0,0,1,0,0|1,0,1]=4 226 B8R1.52 C=CC1(CCCC1)N Z3042074267 [1,0,0,1,0,0|1,0,1]=4 227 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [1,0,0,1,0,0|1,0,1]=4 228 B8R1.4 NC1=CC(=O)CCC1 Z56899207 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.4 O=C1CCCC(=O)N1 Z424792856 [1,0,0,1,0,0|2,0,0]=4 230 B8R1.4 O=C1COCC(=O)O1 Z85923414 [1,0,0,1,0,0|2,0,0]=4 231 B8R1.6 C=CCC1CC(=O)N1 Z1203730933 [1,0,0,1,0,0|1,0,0]=3 232 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [1,0,0,1,0,0|0,0,2]=4 233 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [1,0,0,1,0,0|1,0,1]=4 234 B8R1.7 O=C(O)C1C=CCN1 Z2902023058 [1,0,0,1,0,0|1,0,0]=3 235 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [1,0,0,1,0,0|0,0,2]=4 236 B8R1.7 O=C(O)C1CCCC1 Z104476116 [1,0,0,1,0,0|0,0,2]=4 237 B8R1.7 O=C(O)C1CCCN1 Z104476886 [1,0,0,1,0,0|1,0,1]=4 238 B8R1.7 O=C(O)C1CCCO1 Z104486102 [1,0,0,1,0,0|1,0,1]=4 239 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [1,0,0,1,0,0|1,0,1]=4 240 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [1,0,0,1,0,0|1,0,1]=4 241 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [1,0,0,1,0,0|2,0,0]=4 242 B8R1.7 O=C(O)C1CCOC1 Z381356480 [1,0,0,1,0,0|1,0,1]=4 243 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [1,0,0,1,0,0|1,0,1]=4 244 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [1,0,0,1,0,0|1,0,1]=4 245 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [1,0,0,1,0,0|1,0,1]=4 246 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [1,0,0,1,0,0|1,0,1]=4 247 B8R1.31 O=C(O)C1=C(CC1)Cl Z3358630818 [1,0,0,1,0,0|1,0,1]=4 248 B8R1.31 O=C(O)C1CCC1F Z2035936452 [1,0,0,1,0,0|1,0,1]=4 249 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [1,0,0,1,0,0|0,0,2]=4 250 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [1,0,0,1,0,0|0,0,2]=4 251 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O Z2310010920 [1,0,0,1,0,0|1,0,1]=4 252 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O Z2310010923 [1,0,0,1,0,0|1,0,1]=4 253 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Z3718352401 [1,0,0,1,0,0|1,0,1]=4 254 B8R1.43 O=C[C@@H]1C[C@H]1C(=O)O Z3664810585 [1,0,0,1,0,0|1,0,0]=3 255 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Z2944291920 [1,0,0,1,0,0|1,0,0]=3 256 B8R1.72 CC1(C=CCCC1)O Z1691624687 [1,0,0,1,0,0|1,0,1]=4 257 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [1,0,0,1,0,0|1,0,1]=4 258 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [1,0,0,1,0,0|0,0,1]=3 259 B8R1.51 CC1(CCC(=O)O1)C Z854234982 [1,0,0,1,0,0|1,0,1]=4 260 B8R1.77 CC1(CC1C(=O)O)C Z979743336 [1,0,0,1,0,0|1,0,1]=4 261 B8R1.77 O=C(O)C1CC1(Br)Br Z600508418 [1,0,0,1,0,0|2,0,0]=4 262 B8R1.77 O=C(O)C1CC1(Cl)Cl Z56983732 [1,0,0,1,0,0|2,0,0]=4 263 B8R1.18 NC1CC(=O)NC1=O Z2901974060 [0,0,0,1,1,0|2,0,0]=4 264 B10R1.31 C#C[C@H]1CC[C@H](N1)C(=O)O Z5870110869 [0,0,0,1,0,1|0,0,2]=4 265 B10R1.31 CCC1CCC(N1)C(=O)O Z2417581629 [0,0,0,1,0,1|0,0,2]=4 266 B10R1.54 N[C@@H]1CC[C@@H](C1)CC(=O)O Z3070901966 [0,0,0,1,0,1|0,0,2]=4 267 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O Z3335066881 [0,1,0,1,0,0|0,0,2]=4 268 B10R1.58 N[C@H]1C[C@H](C[C@H]1O)C(=O)O Z5062872452 [0,1,0,1,0,0|0,0,2]=4 269 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C Z2307368764 [0,1,0,1,0,0|0,0,2]=4 270 B10R1.470 CC1(CCC(C1)N)C(=O)O Z3244659899 [0,1,0,1,0,0|0,0,2]=4 271 B10R1.64 NC1=CC=NN1CC(=O)O Z2893890229 [0,1,0,1,0,0|1,0,1]=4 272 B10R1.64 O=C([O-])C[C@H]1CC=C[C@H]1O Z4284179673 [0,1,0,1,0,0|1,0,1]=4 273 B10R1.119 CN1C(=O)CCC(C1=O)N Z2310679289 [0,1,0,1,0,0|2,0,0]=4 274 B10R1.63 CC1(CCC(=O)NC1=O)N Z3244746071 [0,1,0,1,0,0|2,0,0]=4 275 B10R1.113 NC1CCCC(C1)C(=O)O Z979485684 [0,1,0,1,0,0|0,0,2]=4 276 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O Z2309783249 [0,1,0,1,0,0|0,0,2]=4 277 B10R1.113 N[C@H]1C=CC[C@@H](C1)C(=O)O Z2785908692 [0,1,0,1,0,0|0,0,0]=2 278 B10R1.66 O=C(O)CCC1=CC=CS1 Z57052863 [0,1,0,1,0,0|1,0,1]=4 279 B10R1.66 O=C(O)CCC1=CC=NN1 Z3063833168 [0,1,0,1,0,0|0,0,1]=3 280 B10R1.66 O=C(O)CCC1=CN=CO1 Z1255388483 [0,1,0,1,0,0|1,0,1]=4 281 B10R1.66 O=C(O)CCC1=CNC=N1 Z1770193418 [0,1,0,1,0,0|0,0,2]=4 282 B10R1.66 O=C(O)CCC1=CNN=C1 Z2251841401 [0,1,0,1,0,0|1,0,1]=4 283 B10R1.66 O=C(O)CCC1=COC=C1 Z1098234501 [0,1,0,1,0,0|1,0,1]=4 284 B10R1.66 O=C(O)CCC1=CSC=C1 Z85923469 [0,1,0,1,0,0|1,0,1]=4 285 B10R1.66 O=C(O)CCC1=CSC=N1 Z381407422 [0,1,0,1,0,0|0,0,2]=4 286 B10R1.66 O=C(O)CCC1=NC=CN1 Z1913661002 [0,1,0,1,0,0|0,0,1]=3 287 B10R1.66 O=C(O)CCC1=NC=CS1 Z381407426 [0,1,0,1,0,0|0,0,2]=4 288 B10R1.66 O=C(O)CCC1=NN=CN1 Z1350606441 [0,1,0,1,0,0|1,0,1]=4 289 B10R1.66 O=C(O)CCC1=NOC=C1 Z1198279853 [0,1,0,1,0,0|0,0,2]=4 290 B10R1.66 O=C(O)CCC1CCCN1 Z2467454523 [0,1,0,1,0,0|0,0,2]=4 291 B10R1.66 O=C(O)CCC1CCNC1 Z1198312388 [0,1,0,1,0,0|0,0,2]=4 292 B10R1.66 O=C(O)CCN1C=CC=C1 Z245326706 [0,1,0,1,0,0|2,0,0]=4 293 B10R1.66 O=C(O)CCN1C=CC=N1 Z220346786 [0,1,0,1,0,0|1,0,1]=4 294 B10R1.66 O=C(O)CCN1C=CN=C1 Z53111117 [0,1,0,1,0,0|1,0,1]=4 295 B10R1.66 O=C(O)CCN1C=NC=N1 Z220616946 [0,1,0,1,0,0|1,0,1]=4 296 B10R1.66 O=C(O)COC1CC=CC1 Z3281957273 [0,1,0,1,0,0|2,0,0]=4 297 B10R1.107 N[C@@H]1C[C@@H]([C@H]1CC(=O)O)O Z4401324718 [0,1,0,1,0,0|0,0,2]=4 298 B10R2.64 N[C@@H]1C[C@@H]2[C@H]1CC(=O)O2 Z3282751212 [0,0,0,2,0,0|0,0,2]=4 299 B6R0.2 C=C(C)CC(=O)O Z295890066 [1,0,0,0,1,0|1,0,1]=4 300 B6R0.2 CC(=O)CC(C)N Z57329385 [1,0,0,0,1,0|1,0,1]=4 301 B6R0.2 CC(C)CC(=O)O Z104474910 [1,0,0,0,1,0|1,0,1]=4 302 B6R0.2 CC(N)CC(=O)N Z594220690 [1,0,0,0,1,0|1,0,1]=4 303 B6R0.2 CC(N)CC(=O)O Z147647144 [1,0,0,0,1,0|0,0,1]=3 304 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [1,0,0,0,1,0|0,0,1]=3 305 B6R0.2 NC(=O)CC(=O)O Z963467736 [1,0,0,0,1,0|1,0,1]=4 306 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,0,0,0,2,0|0,0,0]=2 307 B6R0.3 CCC(N)C(=O)O Z104495144 [0,0,0,0,2,0|0,0,2]=4 308 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,0,0,0,2,0|0,0,2]=4 309 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,0,0,0,2,0|0,0,2]=4 310 B6R0.3 NC(CO)C(=O)O Z57396986 [0,0,0,0,2,0|1,0,1]=4 311 B6R0.3 NC(CS)C(=O)O Z966690626 [0,0,0,0,2,0|1,0,1]=4 312 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,0,0,0,2,0|1,0,1]=4 313 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,0,0,0,2,0|1,0,1]=4 314 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,0,0,0,2,0|1,0,1]=4 315 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,0,0,0,2,0|1,0,1]=4