0 B7R0.4 C#CCCNC(=O)C Z1188389866 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.4 C#CCCNC(=O)N Z1188370499 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.4 C#CCCOC(=O)N Z1509495134 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 C#CCNCC(=O)O Z2513337624 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.4 C#CCOCC(=O)O Z362807246 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.4 C#CCSCC(=O)O Z149151642 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.4 C=CCCCC(=O)O Z1205493561 [0,0,0,0,0,0|1,0,1]=2 7 B7R0.4 C=CCNCC(=O)O Z803145546 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.4 C=CCOCC(=O)O Z362807794 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.4 C=CCSCC(=O)O Z149151274 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.4 CC#CCCC(=O)O Z1205493674 [0,0,0,0,0,0|1,0,2]=3 11 B7R0.4 CC(=O)NCCCN Z295405102 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.4 CC(=O)NCCCO Z353570744 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.4 CC(C)CCCCN Z1250132304 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.4 CC(C)CNCCO Z3269089575 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.4 CC(C)NCCCO Z56799938 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.4 CC(C)OCCCO Z1080358780 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.4 CC(N)CCCCN Z2186882580 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.4 CC(N)CCCCO Z2234185667 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.4 CCC/C=C/C(=O)O Z104506794 [0,0,0,0,0,0|1,0,2]=3 20 B7R0.4 CCCCCC(=N)N Z3490473907 [0,0,0,0,0,0|3,0,0]=3 21 B7R0.4 CCCCCC(=O)O Z104503532 [0,0,0,0,0,0|1,0,0]=1 22 B7R0.4 CCCCCC(C)N Z104495176 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.4 CCCCNC(=S)N Z56930717 [0,0,0,0,0,0|3,1,0]=4 24 B7R0.4 CCCCOC(=O)N Z104476286 [0,0,0,0,0,0|3,0,0]=3 25 B7R0.4 CCCNCC(=O)N Z2211231296 [0,0,0,0,0,0|3,0,0]=3 26 B7R0.4 CCCNCC(=O)O Z744582718 [0,0,0,0,0,0|2,0,0]=2 27 B7R0.4 CCCOCC(=O)O Z406677750 [0,0,0,0,0,0|2,0,0]=2 28 B7R0.4 CCCSCC(=O)C Z447929234 [0,0,0,0,0,0|3,0,0]=3 29 B7R0.4 CCCSCC(=O)O Z228425458 [0,0,0,0,0,0|2,0,0]=2 30 B7R0.4 CCNCCC(=O)N Z2681234913 [0,0,0,0,0,0|3,0,0]=3 31 B7R0.4 CCNCCC(=O)O Z1869802098 [0,0,0,0,0,0|2,0,0]=2 32 B7R0.4 CCOCCC(=O)O Z316258938 [0,0,0,0,0,0|2,0,0]=2 33 B7R0.4 CCSCCC(=O)O Z197206046 [0,0,0,0,0,0|2,0,0]=2 34 B7R0.4 CN(C)CCCCN Z285162754 [0,0,0,0,0,0|4,0,0]=4 35 B7R0.4 CNCCCC(=O)O Z57043473 [0,0,0,0,0,0|2,0,0]=2 36 B7R0.4 CNCCNC(=O)C Z1456777974 [0,0,0,0,0,0|4,0,0]=4 37 B7R0.4 COCCCC(=N)N Z1267882086 [0,0,0,0,0,0|4,0,0]=4 38 B7R0.4 COCCCC(=O)C Z406376722 [0,0,0,0,0,0|3,0,0]=3 39 B7R0.4 COCCCC(=O)O Z316258912 [0,0,0,0,0,0|2,0,0]=2 40 B7R0.4 COCCCC(C)O Z854048762 [0,0,0,0,0,0|3,0,1]=4 41 B7R0.4 COCCNC(=O)N Z56904572 [0,0,0,0,0,0|4,0,0]=4 42 B7R0.4 CSCCCC(=O)O Z54602911 [0,0,0,0,0,0|2,0,0]=2 43 B7R0.4 N#CCCCC(=O)O Z1198152304 [0,0,0,0,0,0|1,0,1]=2 44 B7R0.4 N#CCSCC(=O)O Z19691779 [0,0,0,0,0,0|2,0,1]=3 45 B7R0.4 NC(=O)COCCO Z1198148880 [0,0,0,0,0,0|2,0,0]=2 46 B7R0.4 NC(=O)NCCCO Z198194722 [0,0,0,0,0,0|2,0,0]=2 47 B7R0.4 NCCCCC(=O)N Z1639630947 [0,0,0,0,0,0|2,0,0]=2 48 B7R0.4 NCCCCC(=O)O Z271111992 [0,0,0,0,0,0|1,0,0]=1 49 B7R0.4 NCCCCC(F)F Z4580667156 [0,0,0,0,0,0|3,0,1]=4 50 B7R0.4 NCCCOC(=O)N Z3337481796 [0,0,0,0,0,0|3,0,0]=3 51 B7R0.4 NCCNCC(=O)O Z2692249907 [0,0,0,0,0,0|2,0,0]=2 52 B7R0.4 NCCOCC(=O)N Z1428158847 [0,0,0,0,0,0|3,0,0]=3 53 B7R0.4 NCCOCC(=O)O Z1650039500 [0,0,0,0,0,0|2,0,0]=2 54 B7R0.4 NCCSCC(=O)O Z1381287295 [0,0,0,0,0,0|2,0,0]=2 55 B7R0.4 O=C(O)CCCCBr Z104479696 [0,0,0,0,0,0|1,0,0]=1 56 B7R0.4 O=C(O)CCCCS Z808230828 [0,0,0,0,0,0|0,1,0]=1 57 B7R0.4 O=C(O)CNCCO Z425411352 [0,0,0,0,0,0|1,0,0]=1 58 B7R0.4 O=C([O-])CCCCO Z2335631573 [0,0,0,0,0,0|0,0,1]=1 59 B7R0.4 O=C([O-])COCCO Z1744715804 [0,0,0,0,0,0|1,0,1]=2 60 B7R0.4 OCCNCC(F)F Z608352548 [0,0,0,0,0,0|3,0,1]=4 61 B7R0.4 OCCOCC(F)F Z1251415632 [0,0,0,0,0,0|3,0,1]=4 62 B6R0.4 C#CCCC(=O)O Z295890062 [1,0,0,0,0,0|0,0,2]=3 63 B6R0.4 C=CCCC(=O)C Z406376894 [1,0,0,0,0,0|1,0,2]=4 64 B6R0.4 C=CCCC(=O)O Z995028722 [1,0,0,0,0,0|0,0,2]=3 65 B6R0.4 CC(=O)CCC#N Z1251352415 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.4 CC(=O)NCCCl Z57983106 [1,0,0,0,0,0|3,0,0]=4 67 B6R0.4 CC(=O)OCCN Z1973465551 [1,0,0,0,0,0|3,0,0]=4 68 B6R0.4 CC(N)CCCO Z1203578676 [1,0,0,0,0,0|2,0,1]=4 69 B6R0.4 CC(O)CCCN Z1198178891 [1,0,0,0,0,0|2,0,1]=4 70 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,0,0,0,0,0|0,0,2]=3 71 B6R0.4 CCC#CC(=O)O Z1205493735 [1,0,0,0,0,0|0,0,2]=3 72 B6R0.4 CCCCB(O)O Z1147227739 [1,0,0,0,0,0|1,0,1]=3 73 B6R0.4 CCCCC(=N)N Z1723418909 [1,0,0,0,0,0|2,0,0]=3 74 B6R0.4 CCCCC(=O)N Z104476278 [1,0,0,0,0,0|1,0,0]=2 75 B6R0.4 CCCCC(=O)O Z104473312 [1,0,0,0,0,0|0,0,0]=1 76 B6R0.4 CCCCC(C)N Z3300506318 [1,0,0,0,0,0|2,0,1]=4 77 B6R0.4 CCCNC(=O)C Z33030314 [1,0,0,0,0,0|2,0,0]=3 78 B6R0.4 CCCNC(=S)N Z56930715 [1,0,0,0,0,0|2,1,0]=4 79 B6R0.4 CCCOC(=O)N Z1198148877 [1,0,0,0,0,0|2,0,0]=3 80 B6R0.4 CCNCC(=O)N Z1459435506 [1,0,0,0,0,0|2,0,0]=3 81 B6R0.4 CCNCC(=O)O Z744593094 [1,0,0,0,0,0|1,0,0]=2 82 B6R0.4 CCNCC(C)O Z138692768 [1,0,0,0,0,0|2,0,1]=4 83 B6R0.4 CCOCC(=O)O Z104495232 [1,0,0,0,0,0|1,0,0]=2 84 B6R0.4 CNCCC(=O)C Z1536943318 [1,0,0,0,0,0|2,0,0]=3 85 B6R0.4 CNCCC(C)O Z1203731868 [1,0,0,0,0,0|2,0,1]=4 86 B6R0.4 COCCC(=N)N Z1592042674 [1,0,0,0,0,0|3,0,0]=4 87 B6R0.4 COCCC(=O)C Z362119682 [1,0,0,0,0,0|2,0,0]=3 88 B6R0.4 COCCC(=O)N Z394696458 [1,0,0,0,0,0|2,0,0]=3 89 B6R0.4 COCCC(=O)O Z285184634 [1,0,0,0,0,0|1,0,0]=2 90 B6R0.4 COCCC(C)O Z818738042 [1,0,0,0,0,0|2,0,1]=4 91 B6R0.4 CS/C=C/C(=O)O Z1868430572 [1,0,0,0,0,0|1,0,2]=4 92 B6R0.4 CSCCC(=N)N Z1266823407 [1,0,0,0,0,0|3,0,0]=4 93 B6R0.4 CSCCC(=O)O Z54719251 [1,0,0,0,0,0|1,0,0]=2 94 B6R0.4 N#CCCC(=O)N Z57160408 [1,0,0,0,0,0|2,0,1]=4 95 B6R0.4 N=C(N)NCCO Z911465228 [1,0,0,0,0,0|3,0,0]=4 96 B6R0.4 N=C(N)SCCO Z57111959 [1,0,0,0,0,0|3,0,0]=4 97 B6R0.4 NC(=O)CCCO Z1203578394 [1,0,0,0,0,0|1,0,0]=2 98 B6R0.4 NC(=O)NCCF Z1203582184 [1,0,0,0,0,0|3,0,0]=4 99 B6R0.4 NC(=O)OCCO Z1198158440 [1,0,0,0,0,0|2,0,0]=3 100 B6R0.4 NCCCC(=O)N Z398513418 [1,0,0,0,0,0|2,0,0]=3 101 B6R0.4 NCCCC(=O)O Z104475620 [1,0,0,0,0,0|1,0,0]=2 102 B6R0.4 NCCCS(=O)O Z1203579399 [1,0,0,0,0,0|2,0,0]=3 103 B6R0.4 NCCNC(=O)N Z1268152381 [1,0,0,0,0,0|3,0,0]=4 104 B6R0.4 NCCOC(=O)N Z1587257433 [1,0,0,0,0,0|3,0,0]=4 105 B6R0.4 O=C(O)/C=C/CO Z3178016098 [1,0,0,0,0,0|0,0,2]=3 106 B6R0.4 O=C(O)C#CCO Z1198169479 [1,0,0,0,0,0|0,0,2]=3 107 B6R0.4 O=C(O)CCCS Z147642510 [1,0,0,0,0,0|0,1,0]=2 108 B6R0.6 C#CCCCCN Z1431002697 [1,0,0,0,0,0|2,0,1]=4 109 B6R0.6 C=CCCCCN Z1198160046 [1,0,0,0,0,0|2,0,0]=3 110 B6R0.6 C=CCNCCO Z137800938 [1,0,0,0,0,0|2,0,0]=3 111 B6R0.6 C=CCOCCN Z976678988 [1,0,0,0,0,0|3,0,0]=4 112 B6R0.6 C=CCSCCN Z1262237162 [1,0,0,0,0,0|3,0,0]=4 113 B6R0.6 CCCCCCO Z104473568 [1,0,0,0,0,0|1,0,1]=3 114 B6R0.6 CCNCCCO Z138139914 [1,0,0,0,0,0|2,0,1]=4 115 B6R0.6 CCOCCCO Z1080358490 [1,0,0,0,0,0|2,0,1]=4 116 B6R0.6 CNCCCCN Z2939606540 [1,0,0,0,0,0|3,0,0]=4 117 B6R0.6 CNCCCCO Z839096662 [1,0,0,0,0,0|2,0,0]=3 118 B6R0.6 COCCCCO Z431605254 [1,0,0,0,0,0|2,0,0]=3 119 B6R0.6 N#CCCCCN Z823279224 [1,0,0,0,0,0|2,0,1]=4 120 B6R0.6 N#CCCCCO Z431952150 [1,0,0,0,0,0|1,0,1]=3 121 B6R0.6 NCCCCCF Z3524160733 [1,0,0,0,0,0|2,0,1]=4 122 B6R0.6 NCCCCCN Z951173830 [1,0,0,0,0,0|2,0,1]=4 123 B6R0.6 O=CCCCC=O Z57127529 [1,0,0,0,0,0|0,0,2]=3 124 B6R0.6 OCCNCCO Z104475196 [1,0,0,0,0,0|1,0,1]=3 125 B8R0.5 CC(C)CC(N)CCO Z223025192 [0,1,0,0,0,0|2,0,1]=4 126 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [0,1,0,0,0,0|1,0,0]=2 127 B8R0.5 CCC/C(=C/C(=O)O)/C Z352746820 [0,1,0,0,0,0|1,0,2]=4 128 B8R0.5 CCCC(C)CC(=O)O Z352782810 [0,1,0,0,0,0|1,0,0]=2 129 B8R0.5 CCCC(O)CC(=O)O Z982132146 [0,1,0,0,0,0|1,0,0]=2 130 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [0,1,0,0,0,0|2,0,0]=3 131 B8R0.5 CCNC(C)CC(=O)O Z1259161935 [0,1,0,0,0,0|2,0,0]=3 132 B8R0.5 COCC(C)CC(=O)O Z992443864 [0,1,0,0,0,0|2,0,0]=3 133 B8R0.6 C=CCOCC(=O)OC Z362807786 [0,1,0,0,0,0|2,0,1]=4 134 B8R0.6 CC(CO)CSCCO Z1270309408 [0,1,0,0,0,0|2,0,1]=4 135 B8R0.6 CCCCCC(=O)NO Z59181978 [0,1,0,0,0,0|1,0,0]=2 136 B8R0.6 CCCCNC(=O)CCl Z56853747 [0,1,0,0,0,0|3,0,0]=4 137 B8R0.6 CCCCOC(=O)CN Z1266823221 [0,1,0,0,0,0|3,0,0]=4 138 B8R0.6 CCCCOC(=O)OC Z1238573230 [0,1,0,0,0,0|2,0,0]=3 139 B8R0.6 CCCNCC(=O)NC Z104884728 [0,1,0,0,0,0|3,0,0]=4 140 B8R0.6 CCCNCC(=O)OC Z1836338844 [0,1,0,0,0,0|2,0,0]=3 141 B8R0.6 CNC(=O)CCCCN Z5282835224 [0,1,0,0,0,0|2,0,0]=3 142 B8R0.6 CNC(=O)COCCN Z1457935024 [0,1,0,0,0,0|3,0,0]=4 143 B8R0.6 CNC(=O)NCCCN Z3475808324 [0,1,0,0,0,0|3,0,0]=4 144 B8R0.6 CNC(=O)NCCCO Z177090148 [0,1,0,0,0,0|2,0,0]=3 145 B8R0.6 CNC(=O)OCCCN Z3465972444 [0,1,0,0,0,0|3,0,0]=4 146 B8R0.6 CNCCCC(=O)NC Z1457934887 [0,1,0,0,0,0|3,0,0]=4 147 B8R0.6 CNCCCC(=O)OC Z415636552 [0,1,0,0,0,0|2,0,0]=3 148 B8R0.6 COC(=O)CCCC#N Z415715362 [0,1,0,0,0,0|1,0,1]=3 149 B8R0.6 COC(=O)CCCCN Z854942764 [0,1,0,0,0,0|1,0,0]=2 150 B8R0.6 COC(=O)CCN=C=S Z237517204 [0,1,0,0,0,0|1,1,1]=4 151 B8R0.6 COC(=O)NCCCN Z3772660622 [0,1,0,0,0,0|2,0,0]=3 152 B8R0.7 C#CCCNCC(=O)O Z4916843541 [0,1,0,0,0,0|1,0,1]=3 153 B8R0.7 C#CCCOCC(=O)O Z1205655947 [0,1,0,0,0,0|1,0,1]=3 154 B8R0.7 C#CCOCCC(=O)O Z362807240 [0,1,0,0,0,0|1,0,1]=3 155 B8R0.7 C=CCCOCC(=O)O Z362807886 [0,1,0,0,0,0|1,0,1]=3 156 B8R0.7 C=CCNCCC(=O)O Z3388124649 [0,1,0,0,0,0|1,0,1]=3 157 B8R0.7 CC#CCCCC(=O)O Z1205494323 [0,1,0,0,0,0|1,0,1]=3 158 B8R0.7 CC#CCNCC(=O)O Z4923954034 [0,1,0,0,0,0|1,0,2]=4 159 B8R0.7 CC(=O)CCCCC#N Z2350907379 [0,1,0,0,0,0|2,0,0]=3 160 B8R0.7 CC(=O)NCCCCN Z600498842 [0,1,0,0,0,0|2,0,0]=3 161 B8R0.7 CC(C)CCCCCO Z1198149583 [0,1,0,0,0,0|2,0,1]=4 162 B8R0.7 CC(C)CCNCCO Z102766092 [0,1,0,0,0,0|2,0,1]=4 163 B8R0.7 CC(C)CCOCCO Z608482468 [0,1,0,0,0,0|2,0,1]=4 164 B8R0.7 CC(C)COCCCO Z1080358758 [0,1,0,0,0,0|2,0,1]=4 165 B8R0.7 CC(C)OCCCCO Z993012606 [0,1,0,0,0,0|2,0,1]=4 166 B8R0.7 CCCCCCC(=N)N Z4088236340 [0,1,0,0,0,0|3,0,0]=4 167 B8R0.7 CCCCCCC(=O)O Z104474412 [0,1,0,0,0,0|1,0,0]=2 168 B8R0.7 CCCCCNC(=N)N Z1090000368 [0,1,0,0,0,0|3,0,0]=4 169 B8R0.7 CCCCNCC(=O)N Z398513412 [0,1,0,0,0,0|2,0,0]=3 170 B8R0.7 CCCCOCC(=O)O Z409190912 [0,1,0,0,0,0|1,0,0]=2 171 B8R0.7 CCCCSCC(=O)O Z239951532 [0,1,0,0,0,0|1,0,0]=2 172 B8R0.7 CCCNCCC(=O)O Z2944330072 [0,1,0,0,0,0|1,0,0]=2 173 B8R0.7 CCNCCCC(=O)O Z2937339976 [0,1,0,0,0,0|1,0,0]=2 174 B8R0.7 CCNCCNC(=O)C Z123868526 [0,1,0,0,0,0|3,0,0]=4 175 B8R0.7 CCOCCCC(=O)O Z316258950 [0,1,0,0,0,0|1,0,0]=2 176 B8R0.7 CCOCCNC(=O)N Z432417116 [0,1,0,0,0,0|3,0,0]=4 177 B8R0.7 CCSCCCC(=N)N Z1861964086 [0,1,0,0,0,0|3,0,0]=4 178 B8R0.7 CN(C)CCCCCO Z968555516 [0,1,0,0,0,0|3,0,0]=4 179 B8R0.7 CN(C)CCNCCO Z137800968 [0,1,0,0,0,0|3,0,0]=4 180 B8R0.7 CNCCCCC(=O)O Z3034937142 [0,1,0,0,0,0|1,0,0]=2 181 B8R0.7 CNCCCNC(=O)C Z1269638441 [0,1,0,0,0,0|3,0,0]=4 182 B8R0.7 COCCCCC(=O)O Z362633826 [0,1,0,0,0,0|0,0,0]=1 183 B8R0.7 COCCCNC(=N)N Z1269638449 [0,1,0,0,0,0|3,0,0]=4 184 B8R0.7 COCCCNC(=O)N Z56979275 [0,1,0,0,0,0|2,0,0]=3 185 B8R0.7 COCCCOC(=O)C Z1123440688 [0,1,0,0,0,0|2,0,0]=3 186 B8R0.7 COCCNCC(=O)N Z1262250392 [0,1,0,0,0,0|2,0,0]=3 187 B8R0.7 COCCNCC(=O)O Z1276446903 [0,1,0,0,0,0|1,0,0]=2 188 B8R0.7 COCCOCC(=O)C Z447894346 [0,1,0,0,0,0|2,0,0]=3 189 B8R0.7 COCCOCC(=O)O Z104477918 [0,1,0,0,0,0|1,0,0]=2 190 B8R0.7 COCCSCC(=O)O Z167837764 [0,1,0,0,0,0|1,0,0]=2 191 B8R0.7 CSCCCCC(=O)O Z732206636 [0,1,0,0,0,0|0,1,0]=2 192 B8R0.7 CSCCNCC(=O)O Z2512524162 [0,1,0,0,0,0|1,1,0]=3 193 B8R0.7 N#CCCSCC(=O)O Z1205494587 [0,1,0,0,0,0|1,0,1]=3 194 B8R0.7 N=C(N)NCCCCN Z2472857139 [0,1,0,0,0,0|3,0,0]=4 195 B8R0.7 N=C(N)SCCCCN Z4741653362 [0,1,0,0,0,0|3,0,0]=4 196 B8R0.7 NCCCCCC(=O)O Z1272730910 [0,1,0,0,0,0|1,0,0]=2 197 B8R0.7 NCCCOCC(=O)O Z3178895188 [0,1,0,0,0,0|1,0,0]=2 198 B8R0.7 NCCOCCC(=O)O Z1262546494 [0,1,0,0,0,0|1,0,0]=2 199 B8R0.7 O=C(O)CCCCCBr Z104477716 [0,1,0,0,0,0|1,0,0]=2 200 B8R0.7 O=C(O)CCCCCF Z1205494157 [0,1,0,0,0,0|1,0,0]=2 201 B8R0.7 O=C(O)CCNCCO Z53116574 [0,1,0,0,0,0|0,0,0]=1 202 B8R0.7 O=C([O-])CNCCCO Z5147896273 [0,1,0,0,0,0|0,0,1]=2 203 B8R0.7 OCCCOCC(F)F Z1532734938 [0,1,0,0,0,0|2,0,1]=4 204 B8R0.8 C#CCOC(C)C(=O)O Z362807268 [0,1,0,0,0,0|2,0,1]=4 205 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [0,1,0,0,0,0|1,0,2]=4 206 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [0,1,0,0,0,0|1,0,1]=3 207 B8R0.8 C=CCOC(C)C(=O)O Z362807816 [0,1,0,0,0,0|2,0,1]=4 208 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [0,1,0,0,0,0|1,0,2]=4 209 B8R0.8 CC(=O)N(C)CCCN Z319974634 [0,1,0,0,0,0|3,0,0]=4 210 B8R0.8 CCCCC(C)C(=O)C Z727719632 [0,1,0,0,0,0|2,0,0]=3 211 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,1,0,0,0,0|1,0,0]=2 212 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,1,0,0,0,0|1,0,0]=2 213 B8R0.8 CCCCC(N)C(C)O Z2453175125 [0,1,0,0,0,0|2,0,1]=4 214 B8R0.8 CCCCC(O)C(=O)O Z803065156 [0,1,0,0,0,0|1,0,0]=2 215 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,1,0,0,0,0|1,0,0]=2 216 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,1,0,0,0,0|1,0,0]=2 217 B8R0.8 CCOCC(C)C(=O)O Z431541098 [0,1,0,0,0,0|2,0,0]=3 218 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [0,1,0,0,0,0|2,0,0]=3 219 B8R0.8 COCCC(C)C(=O)O Z756390554 [0,1,0,0,0,0|2,0,0]=3 220 B8R0.8 COCCC(N)C(=O)O Z317025018 [0,1,0,0,0,0|2,0,0]=3 221 B8R0.8 CSCCC(N)C(=O)O Z57127440 [0,1,0,0,0,0|2,0,0]=3 222 B8R0.8 CSCCC(O)C(=O)O Z788000926 [0,1,0,0,0,0|2,0,0]=3 223 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [0,1,0,0,0,0|2,0,0]=3 224 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [0,1,0,0,0,0|2,0,0]=3 225 B8R0.8 N#CCCC(N)C(=O)N Z4876440061 [0,1,0,0,0,0|2,0,1]=4 226 B8R0.8 NCCCC(N)C(=O)O Z104476736 [0,1,0,0,0,0|1,0,0]=2 227 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [0,1,0,0,0,0|1,0,0]=2 228 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [0,1,0,0,0,0|1,0,0]=2 229 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [0,1,0,0,0,0|2,0,0]=3 230 B8R0.8 O=C([O-])C(O)CCCO Z2510259022 [0,1,0,0,0,0|0,0,1]=2 231 B8R0.9 C=CC(N)CCC(=O)O Z1255431434 [0,1,0,0,0,0|1,0,1]=3 232 B8R0.9 CC(C)CCC(N)CO Z1198179431 [0,1,0,0,0,0|2,0,1]=4 233 B8R0.9 CC(C)CCC(O)CO Z1617994519 [0,1,0,0,0,0|2,0,1]=4 234 B8R0.9 CC(CN)CCC(=O)O Z1739254655 [0,1,0,0,0,0|1,0,0]=2 235 B8R0.9 CC(O)CNC(C)CO Z600449192 [0,1,0,0,0,0|2,0,1]=4 236 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [0,1,0,0,0,0|1,0,1]=3 237 B8R0.9 CCC(=O)NCC(=O)O Z85886715 [0,1,0,0,0,0|2,0,1]=4 238 B8R0.9 CCC(C)CCC(=O)C Z955111260 [0,1,0,0,0,0|2,0,0]=3 239 B8R0.9 CCC(C)CCC(=O)O Z955111774 [0,1,0,0,0,0|1,0,0]=2 240 B8R0.9 CCC(C)NCC(=O)O Z425484950 [0,1,0,0,0,0|2,0,0]=3 241 B8R0.9 CCC(C)OCC(=O)O Z839103364 [0,1,0,0,0,0|2,0,0]=3 242 B8R0.9 CCN(C)CCC(=O)O Z1259335747 [0,1,0,0,0,0|2,0,0]=3 243 B8R0.9 CNC(=O)CCC(=O)O Z429593572 [0,1,0,0,0,0|2,0,1]=4 244 B8R0.9 COC(=O)CCC(=O)O Z57663583 [0,1,0,0,0,0|2,0,1]=4 245 B8R0.9 COC(C)CCC(=O)O Z963595334 [0,1,0,0,0,0|2,0,0]=3 246 B8R0.9 CSC(C)CCC(=O)O Z963595804 [0,1,0,0,0,0|2,0,0]=3 247 B8R0.9 NCC(=O)CCC(=O)O Z1741972992 [0,1,0,0,0,0|1,0,1]=3 248 B8R0.9 NCC(=O)NCC(=O)O Z56896934 [0,1,0,0,0,0|2,0,1]=4 249 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [0,1,0,0,0,0|1,0,0]=2 250 B8R0.21 CC(C)(O)CCCCO Z1725965028 [0,1,0,0,0,0|1,0,1]=3 251 B8R0.21 CCCCCS(=O)(=O)N Z734461490 [0,1,0,0,0,0|2,0,1]=4 252 B8R0.21 CS(=O)(=O)CCCCN Z2379802695 [0,1,0,0,0,0|2,0,1]=4 253 B8R0.21 CS(=O)(=O)NCCCO Z57801017 [0,1,0,0,0,0|2,0,1]=4 254 B8R0.21 NCCCCS(=O)(=O)N Z2216303047 [0,1,0,0,0,0|2,0,1]=4 255 B8R0.21 NCCCCS(=O)(=O)O Z1262622810 [0,1,0,0,0,0|2,0,0]=3 256 B8R0.21 NCCCOP(=O)(O)O Z1198158583 [0,1,0,0,0,0|3,0,0]=4 257 B8R0.21 OCCCCC(F)(F)F Z991547650 [0,1,0,0,0,0|2,0,1]=4 258 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [0,1,0,0,0,0|1,0,2]=4 259 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [0,1,0,0,0,0|0,0,2]=3 260 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [0,1,0,0,0,0|1,0,2]=4 261 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [0,1,0,0,0,0|1,0,2]=4 262 B8R0.28 CC(C)CCCC(=O)O Z426022098 [0,1,0,0,0,0|1,0,0]=2 263 B8R0.28 CC(C)CCNC(=O)N Z56904577 [0,1,0,0,0,0|3,0,0]=4 264 B8R0.28 CC(C)CNCC(=O)N Z234894923 [0,1,0,0,0,0|3,0,0]=4 265 B8R0.28 CC(C)CNCC(=O)O Z1259273209 [0,1,0,0,0,0|2,0,0]=3 266 B8R0.28 CC(C)CSCC(=O)O Z96112845 [0,1,0,0,0,0|2,0,0]=3 267 B8R0.28 CC(C)NCCC(=O)O Z235348215 [0,1,0,0,0,0|2,0,0]=3 268 B8R0.28 CC(C)OCCC(=O)O Z316259248 [0,1,0,0,0,0|2,0,0]=3 269 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [0,1,0,0,0,0|1,0,0]=2 270 B8R0.28 CC(N)COCC(=O)O Z3789755599 [0,1,0,0,0,0|2,0,0]=3 271 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [0,1,0,0,0,0|0,0,1]=2 272 B8R0.28 CC(O)CCCN(C)C Z902046982 [0,1,0,0,0,0|3,0,0]=4 273 B8R0.28 CC(O)CNCC(=O)[O-] Z3690977946 [0,1,0,0,0,0|1,0,1]=3 274 B8R0.28 N=C(N)NCCC(=O)O Z959165114 [0,1,0,0,0,0|2,0,1]=4 275 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [0,1,0,0,0,0|0,0,2]=3 276 B8R0.28 NC(=O)CNCC(=O)O Z4658099947 [0,1,0,0,0,0|1,0,2]=4 277 B8R0.28 NC(=O)CSCC(=O)O Z19691778 [0,1,0,0,0,0|1,0,2]=4 278 B8R0.28 NC(=O)NCCC(=O)O Z56347556 [0,1,0,0,0,0|1,0,2]=4 279 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [0,1,0,0,0,0|0,0,1]=2 280 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [0,1,0,0,0,0|1,0,1]=3 281 B8R0.28 O=C(O)COCC(=O)O Z57965384 [0,1,0,0,0,0|1,0,1]=3 282 B8R0.28 O=C(O)CSCC(=O)O Z104478584 [0,1,0,0,0,0|1,0,1]=3 283 B8R1.1 CC1CCC(O1)CN Z1438307598 [0,0,0,1,0,0|2,0,1]=4 284 B8R1.1 CCC1CCC(=O)N1 Z1203731077 [0,0,0,1,0,0|2,0,0]=3 285 B8R1.1 CCC1CNC(=O)C1 Z1198235318 [0,0,0,1,0,0|3,0,0]=4 286 B8R1.1 CN1CCC(C1)CO Z976730728 [0,0,0,1,0,0|3,0,0]=4 287 B8R1.1 NCC1CCC(=O)N1 Z1171481666 [0,0,0,1,0,0|2,0,0]=3 288 B8R1.1 NCC1CCC(=O)O1 Z1262632907 [0,0,0,1,0,0|1,0,0]=2 289 B8R1.1 NCC1CNC(=O)O1 Z2028214442 [0,0,0,1,0,0|2,0,0]=3 290 B8R1.1 NCC1COC(=O)C1 Z1262663655 [0,0,0,1,0,0|3,0,0]=4 291 B8R1.1 NCC1COC(=O)N1 Z2130644119 [0,0,0,1,0,0|3,0,0]=4 292 B8R1.1 NCC1COC(=O)O1 Z3474887077 [0,0,0,1,0,0|2,0,0]=3 293 B8R1.1 NC[C@H]1COC(=O)O1 Z3951135907 [0,0,0,1,0,0|2,0,0]=3 294 B8R1.1 O=C1C=C(CO1)CO Z1486015893 [0,0,0,1,0,0|2,0,1]=4 295 B8R1.1 O=C1CC(CN1)CO Z1201625841 [0,0,0,1,0,0|2,0,0]=3 296 B8R1.1 O=C1CCC(N1)CO Z235344363 [0,0,0,1,0,0|1,0,0]=2 297 B8R1.1 O=C1CC[C@H](N1)CO Z235344345 [0,0,0,1,0,0|1,0,0]=2 298 B8R1.1 O=C1NCC(O1)CCl Z56346848 [0,0,0,1,0,0|2,0,0]=3 299 B8R1.1 O=C1N[C@H](CO1)CO Z1203731623 [0,0,0,1,0,0|2,0,0]=3 300 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [0,0,0,1,0,0|2,0,1]=4 301 B8R1.4 CC1=CC(CCC1)N Z3895215954 [0,0,0,1,0,0|3,0,0]=4 302 B8R1.4 CC1=CC(CCC1)O Z1255423437 [0,0,0,1,0,0|2,0,0]=3 303 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [0,0,0,1,0,0|3,0,0]=4 304 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [0,0,0,1,0,0|3,0,0]=4 305 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [0,0,0,1,0,0|1,0,2]=4 306 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,0,0,1,0,0|2,0,0]=3 307 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [0,0,0,1,0,0|2,0,0]=3 308 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,0,0,1,0,0|3,0,0]=4 309 B8R1.4 CC1CNCC(=O)N1 Z1198172719 [0,0,0,1,0,0|3,0,0]=4 310 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [0,0,0,1,0,0|3,0,0]=4 311 B8R1.4 NC1=CC(=O)CCC1 Z56899207 [0,0,0,1,0,0|2,0,1]=4 312 B8R1.4 NC1CCCC(C1)O Z2724335128 [0,0,0,1,0,0|2,0,1]=4 313 B8R1.4 N[C@H]1CCC[C@H](C1)O Z1203578804 [0,0,0,1,0,0|2,0,1]=4 314 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,0,0,1,0,0|2,0,0]=3 315 B8R1.4 O=C1CCCC(=O)N1 Z424792856 [0,0,0,1,0,0|1,0,2]=4 316 B8R1.4 O=C1COCC(=O)O1 Z85923414 [0,0,0,1,0,0|1,0,2]=4 317 B8R1.4 O[C@@H]1CNC[C@@H](C1)O Z1310777672 [0,0,0,1,0,0|2,0,1]=4 318 B8R1.6 C=CCC1CC(=O)N1 Z1203730933 [0,0,0,1,0,0|2,0,1]=4 319 B8R1.6 CCCC1CC(=O)N1 Z1198168176 [0,0,0,1,0,0|2,0,0]=3 320 B8R1.6 NCCC1CC(=O)C1 Z2681245722 [0,0,0,1,0,0|2,0,0]=3 321 B8R1.6 NCCC1CC(C1)O Z1868316842 [0,0,0,1,0,0|2,0,1]=4 322 B8R1.6 NCC[C@H]1C[C@H](C1)O Z2310717957 [0,0,0,1,0,0|2,0,1]=4 323 B8R1.7 CC(=O)C1CCCC1 Z513735352 [0,0,0,1,0,0|2,0,0]=3 324 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [0,0,0,1,0,0|3,0,0]=4 325 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [0,0,0,1,0,0|3,0,0]=4 326 B8R1.7 CC(N)C1CCCO1 Z318730550 [0,0,0,1,0,0|2,0,1]=4 327 B8R1.7 CC(O)[C@@H]1CCCN1 Z1203825201 [0,0,0,1,0,0|2,0,1]=4 328 B8R1.7 N=C(N)C1CCCC1 Z1266823290 [0,0,0,1,0,0|3,0,0]=4 329 B8R1.7 N=C(N)C1CCCO1 Z1582263149 [0,0,0,1,0,0|2,0,0]=3 330 B8R1.7 NC(=O)C1CCCC1 Z33546657 [0,0,0,1,0,0|2,0,0]=3 331 B8R1.7 NC(=O)C1CCCN1 Z56945990 [0,0,0,1,0,0|2,0,0]=3 332 B8R1.7 NC(=O)C1CCCO1 Z33545380 [0,0,0,1,0,0|1,0,0]=2 333 B8R1.7 NC(=O)C1CCNC1 Z1198394223 [0,0,0,1,0,0|3,0,0]=4 334 B8R1.7 NC(=O)C1CCOC1 Z802555342 [0,0,0,1,0,0|3,0,0]=4 335 B8R1.7 NC(=O)C1CSCN1 Z316101160 [0,0,0,1,0,0|3,0,0]=4 336 B8R1.7 NC(=O)N1CCCC1 Z56907605 [0,0,0,1,0,0|3,0,0]=4 337 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [0,0,0,1,0,0|1,0,1]=3 338 B8R1.7 O=C(O)C1=CCCS1 Z1205451212 [0,0,0,1,0,0|0,1,2]=4 339 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [0,0,0,1,0,0|2,0,1]=4 340 B8R1.7 O=C(O)C1=NOCC1 Z1205494291 [0,0,0,1,0,0|2,0,1]=4 341 B8R1.7 O=C(O)C1C=CCN1 Z2902023058 [0,0,0,1,0,0|1,0,2]=4 342 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [0,0,0,1,0,0|1,0,2]=4 343 B8R1.7 O=C(O)C1CCCC1 Z104476116 [0,0,0,1,0,0|1,0,0]=2 344 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,0,0,1,0,0|1,0,0]=2 345 B8R1.7 O=C(O)C1CCCO1 Z104486102 [0,0,0,1,0,0|0,0,0]=1 346 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [0,0,0,1,0,0|0,1,0]=2 347 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [0,0,0,1,0,0|2,0,0]=3 348 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [0,0,0,1,0,0|1,0,0]=2 349 B8R1.7 O=C(O)C1CCOC1 Z381356480 [0,0,0,1,0,0|2,0,0]=3 350 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [0,0,0,1,0,0|2,0,0]=3 351 B8R1.7 O=C(O)C1CSCN1 Z104495996 [0,0,0,1,0,0|2,0,0]=3 352 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [0,0,0,1,0,0|1,1,0]=3 353 B8R1.7 O=C(O)C1OCCO1 Z1198167310 [0,0,0,1,0,0|1,0,0]=2 354 B8R1.7 O=C(O)C1SCCS1 Z1255500889 [0,0,0,1,0,0|1,1,0]=3 355 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,0,0,1,0,0|1,0,0]=2 356 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [0,0,0,1,0,0|2,0,0]=3 357 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,0,0,1,0,0|1,0,0]=2 358 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [0,0,0,1,0,0|2,0,0]=3 359 B8R1.7 OB(O)C1CCCC1 Z1147227731 [0,0,0,1,0,0|2,0,1]=4 360 B8R1.19 C[C@]1(CCC[C@H]1O)O Z3037315217 [0,0,0,1,0,0|1,0,1]=3 361 B8R1.22 O=C1CCCCCC1 Z104473100 [0,0,0,1,0,0|2,0,0]=3 362 B8R1.22 O=C1CCNCCN1 Z119989554 [0,0,0,1,0,0|3,0,0]=4 363 B8R1.22 O=C1CCOCCN1 Z821098578 [0,0,0,1,0,0|3,0,0]=4 364 B8R1.22 O=C1CCSCCN1 Z1198315286 [0,0,0,1,0,0|3,0,0]=4 365 B8R1.22 O=C1CNCCCN1 Z2756332573 [0,0,0,1,0,0|3,0,0]=4 366 B8R1.22 O=C1COCCCN1 Z1203733065 [0,0,0,1,0,0|2,0,0]=3 367 B8R1.22 OC1CNCCOC1 Z2234631219 [0,0,0,1,0,0|2,0,1]=4 368 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [0,0,0,1,0,0|1,0,0]=2 369 B8R1.31 O=C(O)C1=C(CC1)Cl Z3358630818 [0,0,0,1,0,0|1,0,2]=4 370 B8R1.31 O=C(O)C1CCC1F Z2035936452 [0,0,0,1,0,0|1,0,0]=2 371 B8R1.34 CC(=O)CC1CCC1 Z1263592386 [0,0,0,1,0,0|2,0,0]=3 372 B8R1.34 N=C(N)CC1CCC1 Z1642389696 [0,0,0,1,0,0|3,0,0]=4 373 B8R1.34 NC(=O)CC1CNC1 Z1459435453 [0,0,0,1,0,0|3,0,0]=4 374 B8R1.34 NC(=O)NC1CCC1 Z979783478 [0,0,0,1,0,0|3,0,0]=4 375 B8R1.34 O=C(O)C=C1CCC1 Z1205494261 [0,0,0,1,0,0|1,0,2]=4 376 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [0,0,0,1,0,0|1,0,0]=2 377 B8R1.34 O=C(O)CN1CCC1 Z1255373566 [0,0,0,1,0,0|2,0,0]=3 378 B8R1.35 CC(=O)CCC1CC1 Z1233207768 [0,0,0,1,0,0|2,0,0]=3 379 B8R1.35 CC(C)CCC1CO1 Z1495386123 [0,0,0,1,0,0|2,0,1]=4 380 B8R1.35 NC(=O)CNC1CC1 Z104875198 [0,0,0,1,0,0|3,0,0]=4 381 B8R1.35 NC(=O)NCC1CC1 Z247615948 [0,0,0,1,0,0|3,0,0]=4 382 B8R1.35 O=C(O)C#CC1CC1 Z1198161308 [0,0,0,1,0,0|1,0,2]=4 383 B8R1.35 O=C(O)CNC1CC1 Z432066928 [0,0,0,1,0,0|2,0,0]=3 384 B8R1.35 O=[N+]([O-])CCC1CC1 Z2732442774 [0,0,0,1,0,0|2,0,1]=4 385 B8R1.36 OCCOCC1CO1 Z332379868 [0,0,0,1,0,0|2,0,1]=4 386 B8R1.43 CC(=O)C1CC1C#N Z1514030424 [0,0,0,1,0,0|2,0,1]=4 387 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [0,0,0,1,0,0|1,0,0]=2 388 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O Z2310010920 [0,0,0,1,0,0|1,0,1]=3 389 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O Z2310010923 [0,0,0,1,0,0|1,0,1]=3 390 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Z3718352401 [0,0,0,1,0,0|1,0,0]=2 391 B8R1.43 O=C([O-])[C@@H]1C[C@H]1CO Z3717749370 [0,0,0,1,0,0|0,0,1]=2 392 B8R1.43 O=C[C@@H]1C[C@H]1C(=O)O Z3664810585 [0,0,0,1,0,0|0,0,2]=3 393 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Z2944291920 [0,0,0,1,0,0|0,0,2]=3 394 B8R1.72 CC1(CCCCC1)O Z449370586 [0,0,0,1,0,0|2,0,1]=4 395 B8R1.72 N=S1(=O)CCCCC1 Z2941529962 [0,0,0,1,0,0|3,0,0]=4 396 B8R1.72 O=S1(=O)CCCCN1 Z1201622708 [0,0,0,1,0,0|2,0,1]=4 397 B5R0.1 C#CCC(=O)O Z295890060 [2,0,0,0,0,0|0,0,2]=4 398 B5R0.1 C/C=C/C(=O)O Z104476026 [2,0,0,0,0,0|0,0,2]=4 399 B5R0.1 CC(=O)CCO Z906206900 [2,0,0,0,0,0|1,0,0]=3 400 B5R0.1 CC(O)CCO Z104473530 [2,0,0,0,0,0|1,0,1]=4 401 B5R0.1 CCCC(=N)N Z1198394172 [2,0,0,0,0,0|2,0,0]=4 402 B5R0.1 CCCC(=O)N Z33546461 [2,0,0,0,0,0|1,0,0]=3 403 B5R0.1 CCCC(=O)O Z104495380 [2,0,0,0,0,0|0,0,0]=2 404 B5R0.1 CCOC(=O)N Z33546369 [2,0,0,0,0,0|2,0,0]=4 405 B5R0.1 CNCC(=O)N Z415678308 [2,0,0,0,0,0|2,0,0]=4 406 B5R0.1 CNCC(=O)O Z104480276 [2,0,0,0,0,0|1,0,0]=3 407 B5R0.1 COCC(=O)N Z33546778 [2,0,0,0,0,0|2,0,0]=4 408 B5R0.1 COCC(=O)O Z104477404 [2,0,0,0,0,0|1,0,0]=3 409 B5R0.1 CSCC(=O)N Z33545668 [2,0,0,0,0,0|2,0,0]=4 410 B5R0.1 N#CCC(=O)O Z104476112 [2,0,0,0,0,0|1,0,1]=4 411 B5R0.1 N=C(N)CCO Z1198394167 [2,0,0,0,0,0|2,0,0]=4 412 B5R0.1 NC(=O)CCO Z431951940 [2,0,0,0,0,0|1,0,0]=3 413 B5R0.1 NCCC(=O)N Z415728050 [2,0,0,0,0,0|2,0,0]=4 414 B5R0.1 NCCC(=O)O Z57127544 [2,0,0,0,0,0|1,0,0]=3 415 B5R0.1 NOCC(=O)O Z90662171 [2,0,0,0,0,0|2,0,0]=4 416 B5R0.1 O=C(O)CCCl Z203045320 [2,0,0,0,0,0|1,0,0]=3 417 B5R0.1 O=C(O)CCS Z104474322 [2,0,0,0,0,0|0,1,0]=3 418 B5R0.1 O=C(O)CNO Z1205493750 [2,0,0,0,0,0|1,0,0]=3 419 B5R0.2 C=CCCCN Z993058434 [2,0,0,0,0,0|1,0,1]=4 420 B5R0.2 C=CCNCC Z2044769224 [2,0,0,0,0,0|2,0,0]=4 421 B5R0.2 CCCCC=O Z104472992 [2,0,0,0,0,0|0,0,0]=2 422 B5R0.2 CCCCCN Z104472246 [2,0,0,0,0,0|1,0,1]=4 423 B5R0.2 CCNCCO Z1258992395 [2,0,0,0,0,0|1,0,1]=4 424 B5R0.2 CCOCCO Z104473122 [2,0,0,0,0,0|1,0,1]=4 425 B5R0.2 CNCCCO Z104756980 [2,0,0,0,0,0|1,0,1]=4 426 B5R0.2 COCCCO Z431517702 [2,0,0,0,0,0|1,0,1]=4 427 B5R0.2 N#CCCCO Z385458622 [2,0,0,0,0,0|1,0,1]=4 428 B5R0.2 NCCCCF Z2177031126 [2,0,0,0,0,0|2,0,0]=4 429 B5R0.2 NCCCCN Z104472592 [2,0,0,0,0,0|2,0,0]=4 430 B5R0.2 OC/C=C/CO Z237581088 [2,0,0,0,0,0|0,0,2]=4 431 B7R0.2 CC(CN)CC(=O)O Z1436472873 [1,1,0,0,0,0|1,0,0]=3 432 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [1,1,0,0,0,0|0,0,2]=4 433 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [1,1,0,0,0,0|1,0,1]=4 434 B7R0.2 CCC(C)CC(=O)O Z352782882 [1,1,0,0,0,0|0,0,0]=2 435 B7R0.2 CCC(C)NC(=O)N Z56979270 [1,1,0,0,0,0|2,0,0]=4 436 B7R0.2 CCC(N)CC(=O)O Z1708090940 [1,1,0,0,0,0|0,0,0]=2 437 B7R0.2 CCN(C)CC(=O)O Z1459897022 [1,1,0,0,0,0|1,0,0]=3 438 B7R0.2 CNC(=O)CC(=O)O Z963467722 [1,1,0,0,0,0|1,0,1]=4 439 B7R0.2 CNC(C)CC(=O)N Z3070230004 [1,1,0,0,0,0|2,0,0]=4 440 B7R0.2 COC(C)CC(=O)O Z431536426 [1,1,0,0,0,0|1,0,0]=3 441 B7R0.2 NCC(O)CC(=O)O Z1255390571 [1,1,0,0,0,0|1,0,0]=3 442 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [1,1,0,0,0,0|1,0,0]=3 443 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [1,1,0,0,0,0|1,0,0]=3 444 B7R0.3 CCCCC(=O)CC Z406378226 [1,1,0,0,0,0|1,0,0]=3 445 B7R0.3 CCCCN(C)N=O Z1198149449 [1,1,0,0,0,0|2,0,0]=4 446 B7R0.3 CCCNC(=O)CC Z33030426 [1,1,0,0,0,0|2,0,0]=4 447 B7R0.3 CCNCC(=O)NC Z55849445 [1,1,0,0,0,0|2,0,0]=4 448 B7R0.3 CCNCC(=O)OC Z138464962 [1,1,0,0,0,0|1,0,0]=3 449 B7R0.3 CNC(=O)CCCN Z451350656 [1,1,0,0,0,0|2,0,0]=4 450 B7R0.3 CNC(=O)NCCO Z177090556 [1,1,0,0,0,0|2,0,0]=4 451 B7R0.3 CNC(=O)OCCO Z1198150357 [1,1,0,0,0,0|2,0,0]=4 452 B7R0.3 CNCCC(=O)NC Z852427258 [1,1,0,0,0,0|2,0,0]=4 453 B7R0.3 CNCCC(=O)OC Z140562916 [1,1,0,0,0,0|1,0,0]=3 454 B7R0.3 COC(=O)CCC#N Z1179894109 [1,1,0,0,0,0|1,0,1]=4 455 B7R0.3 COC(=O)NCCN Z2237317343 [1,1,0,0,0,0|2,0,0]=4 456 B7R0.3 NCC(=O)NCCO Z401366912 [1,1,0,0,0,0|2,0,0]=4 457 B7R0.3 NCCCC(=O)NO Z3488307998 [1,1,0,0,0,0|1,0,0]=3 458 B7R0.3 O=C(CO)NCCO Z1203732626 [1,1,0,0,0,0|1,0,0]=3 459 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [1,1,0,0,0,0|0,0,2]=4 460 B7R0.5 C=CCC(N)C(=O)O Z317024964 [1,1,0,0,0,0|0,0,2]=4 461 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [1,1,0,0,0,0|0,0,2]=4 462 B7R0.5 CC(CCN)C(=O)O Z2298167292 [1,1,0,0,0,0|1,0,0]=3 463 B7R0.5 CCCC(C)C(=O)O Z104477112 [1,1,0,0,0,0|0,0,0]=2 464 B7R0.5 CCCC(N)C(=O)O Z317024724 [1,1,0,0,0,0|0,0,0]=2 465 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [1,1,0,0,0,0|0,0,0]=2 466 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [1,1,0,0,0,0|0,0,0]=2 467 B7R0.5 CCNC(C)C(=O)O Z3181996310 [1,1,0,0,0,0|1,0,0]=3 468 B7R0.5 CCOC(C)C(=O)O Z316258934 [1,1,0,0,0,0|1,0,0]=3 469 B7R0.5 CNCC(C)C(=O)O Z1270387301 [1,1,0,0,0,0|1,0,0]=3 470 B7R0.5 COCC(C)C(=O)O Z431541094 [1,1,0,0,0,0|1,0,0]=3 471 B7R0.5 COCC(N)C(=O)O Z1613478163 [1,1,0,0,0,0|1,0,0]=3 472 B7R0.5 CSCC(C)C(=O)O Z732206684 [1,1,0,0,0,0|1,0,0]=3 473 B7R0.5 CSCC(N)C(=O)O Z317025996 [1,1,0,0,0,0|1,0,0]=3 474 B7R0.5 NC(CCF)C(=O)O Z2470036329 [1,1,0,0,0,0|1,0,0]=3 475 B7R0.5 NC(CCO)C(=O)O Z234896487 [1,1,0,0,0,0|0,0,0]=2 476 B7R0.5 NCCC(F)C(=O)O Z3235903750 [1,1,0,0,0,0|1,0,0]=3 477 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [1,1,0,0,0,0|1,0,0]=3 478 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [1,1,0,0,0,0|1,0,0]=3 479 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [1,1,0,0,0,0|0,0,0]=2 480 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [1,1,0,0,0,0|0,0,0]=2 481 B7R0.6 CC(=O)CCC(=O)O Z104477318 [1,1,0,0,0,0|0,0,1]=3 482 B7R0.6 CC(=O)NCC(=O)O Z85886676 [1,1,0,0,0,0|1,0,1]=4 483 B7R0.6 CC(=O)NCC(C)O Z353603952 [1,1,0,0,0,0|2,0,0]=4 484 B7R0.6 CC(C)C#CC(=O)O Z1205493820 [1,1,0,0,0,0|0,0,2]=4 485 B7R0.6 CC(C)CCC(=N)N Z2522503133 [1,1,0,0,0,0|2,0,0]=4 486 B7R0.6 CC(C)CCC(=O)O Z56347204 [1,1,0,0,0,0|0,0,0]=2 487 B7R0.6 CC(C)CNC(=O)N Z56895708 [1,1,0,0,0,0|2,0,0]=4 488 B7R0.6 CC(C)NCC(=O)N Z56969693 [1,1,0,0,0,0|2,0,0]=4 489 B7R0.6 CC(C)NCC(=O)O Z359419672 [1,1,0,0,0,0|1,0,0]=3 490 B7R0.6 CC(C)OCC(=O)O Z316259244 [1,1,0,0,0,0|1,0,0]=3 491 B7R0.6 CC(C)SCC(=O)O Z214812600 [1,1,0,0,0,0|1,0,0]=3 492 B7R0.6 CC(N)CCC(=O)O Z1235963367 [1,1,0,0,0,0|0,0,0]=2 493 B7R0.6 CC(N)CCS(=O)C Z1269750451 [1,1,0,0,0,0|2,0,0]=4 494 B7R0.6 CC(O)CCC(=O)O Z838959470 [1,1,0,0,0,0|0,0,0]=2 495 B7R0.6 CN(C)CCC(=O)N Z168912842 [1,1,0,0,0,0|2,0,0]=4 496 B7R0.6 CN(C)CCC(=O)O Z168912830 [1,1,0,0,0,0|1,0,0]=3 497 B7R0.6 CS(=O)CCC(=O)O Z667974346 [1,1,0,0,0,0|1,0,0]=3 498 B7R0.6 O=C(O)CCC(=O)O Z57127453 [1,1,0,0,0,0|0,0,1]=3 499 B7R0.8 CC(C)(O)CCCO Z1255438724 [1,1,0,0,0,0|1,0,1]=4 500 B7R0.8 CCCCS(=O)(=O)N Z55264566 [1,1,0,0,0,0|1,0,1]=4 501 B7R0.8 CNCCS(=O)(=O)O Z3989262607 [1,1,0,0,0,0|2,0,0]=4 502 B7R0.8 CS(=O)(=O)CCCO Z1080376164 [1,1,0,0,0,0|1,0,1]=4 503 B7R0.8 NCCCS(=O)(=O)O Z1203578094 [1,1,0,0,0,0|2,0,0]=4 504 B7R0.8 NS(=O)(=O)CCCO Z1267897754 [1,1,0,0,0,0|1,0,1]=4 505 B7R0.1 CC#CCCCCO Z1233226212 [1,1,0,0,0,0|1,0,1]=4 506 B7R0.1 CCCCCCCO Z104473596 [1,1,0,0,0,0|1,0,1]=4 507 B7R0.1 CCCOCCCO Z1080358966 [1,1,0,0,0,0|1,0,1]=4 508 B7R0.1 CCOCCCCO Z993012560 [1,1,0,0,0,0|1,0,1]=4 509 B7R0.1 CNCCCCOC Z875082126 [1,1,0,0,0,0|2,0,0]=4 510 B7R0.1 COCCCCC#N Z815260498 [1,1,0,0,0,0|1,0,1]=4 511 B7R0.1 COCCCCCN Z608347192 [1,1,0,0,0,0|1,0,1]=4 512 B7R0.1 COCCCCCO Z993012416 [1,1,0,0,0,0|0,0,1]=3 513 B7R0.1 COCCNCCO Z266088374 [1,1,0,0,0,0|1,0,1]=4 514 B7R0.1 COCCOCCO Z849748688 [1,1,0,0,0,0|1,0,1]=4 515 B7R0.1 CSCCCCCO Z968557058 [1,1,0,0,0,0|0,1,1]=4 516 B7R0.1 N#CCCNCCO Z53116581 [1,1,0,0,0,0|1,0,1]=4 517 B7R0.1 NCCOCCCO Z2044949087 [1,1,0,0,0,0|1,0,1]=4 518 B7R0.1 NCCSCCCO Z406685362 [1,1,0,0,0,0|1,0,1]=4 519 B7R0.1 OCCCCCCBr Z1255398867 [1,1,0,0,0,0|1,0,1]=4 520 B7R0.1 OCCCCCCO Z104473540 [1,1,0,0,0,0|0,0,1]=3 521 B7R0.1 OCCCNCCO Z104654390 [1,1,0,0,0,0|0,0,1]=3 522 B7R0.1 OCCCOCCO Z1373668758 [1,1,0,0,0,0|0,0,1]=3 523 B7R0.1 OCCCSCCO Z149155194 [1,1,0,0,0,0|0,0,1]=3 524 B7R0.1 OCCSSCCO Z1255415413 [1,1,0,0,0,0|1,0,1]=4 525 B7R0.7 CCCC(O)CCO Z1198158209 [1,1,0,0,0,0|1,0,1]=4 526 B7R0.7 COCC(N)CCO Z1238548168 [1,1,0,0,0,0|2,0,0]=4 527 B9R0.4 C#CCCN(C)CC(=O)O Z1259273352 [0,2,0,0,0,0|1,0,1]=4 528 B9R0.4 CC(=O)CC(=O)OCCO Z1255385954 [0,2,0,0,0,0|1,0,1]=4 529 B9R0.4 CC(CC(=O)O)NCCO Z431539096 [0,2,0,0,0,0|0,0,0]=2 530 B9R0.6 CCCC(C)C(N)C(=O)O Z905051876 [0,2,0,0,0,0|1,0,0]=3 531 B9R0.6 COCC(C)C(C)C(=O)O Z1321942658 [0,2,0,0,0,0|2,0,0]=4 532 B9R0.14 CCCC(CC)CC(=O)O Z1198149106 [0,2,0,0,0,0|1,0,0]=3 533 B9R0.23 CCC(C)C(O)CC(=O)O Z982132268 [0,2,0,0,0,0|1,0,0]=3 534 B9R0.34 C#CCC(N)CC(=O)OC Z3825461044 [0,2,0,0,0,0|1,0,1]=4 535 B9R0.34 CCCC(N)CC(=O)OC Z1582263053 [0,2,0,0,0,0|1,0,0]=3 536 B9R0.53 CC(C)CC(C)CC(=O)O Z352782544 [0,2,0,0,0,0|1,0,0]=3 537 B9R0.53 CC(C)CC(N)CC(=O)O Z3251695059 [0,2,0,0,0,0|1,0,0]=3 538 B9R0.53 CC(CC(=O)O)CC(=O)O Z1041180516 [0,2,0,0,0,0|0,0,1]=3 539 B9R0.53 CC(CC(=O)O)CN(C)C Z2824350104 [0,2,0,0,0,0|2,0,0]=4 540 B9R0.53 CN(CC(=O)O)CC(=O)O Z119894774 [0,2,0,0,0,0|1,0,1]=4 541 B9R0.53 O=C(O)CC(O)CC(=O)O Z1198167174 [0,2,0,0,0,0|0,0,1]=3 542 B9R0.58 CCCC(C)(C)CC(=O)O Z1198160073 [0,2,0,0,0,0|1,0,0]=3 543 B9R0.58 CCCS(=O)(=O)CC(=O)O Z295402416 [0,2,0,0,0,0|2,0,0]=4 544 B9R0.58 COCC(C)(C)CC(=O)O Z1434171899 [0,2,0,0,0,0|2,0,0]=4 545 B9R0.58 COCC(C)(N)CC(=O)O Z3379727619 [0,2,0,0,0,0|2,0,0]=4 546 B9R0.58 C[N+](C)(CCO)CC(=O)[O-] Z1198155437 [0,2,0,0,0,0|1,0,1]=4 547 B9R0.58 NCCC(F)(F)CC(=O)O Z3821935122 [0,2,0,0,0,0|1,0,0]=3 548 B9R0.58 O=C(O)CS(=O)(=O)CCO Z1251354695 [0,2,0,0,0,0|1,0,0]=3 549 B9R0.1 CCC(=O)NCCC(=O)O Z85914366 [0,2,0,0,0,0|1,0,1]=4 550 B9R0.1 CN(CCCC(=O)O)N=O Z1198155577 [0,2,0,0,0,0|1,0,1]=4 551 B9R0.1 COC(=O)CCCC(=O)O Z203045008 [0,2,0,0,0,0|0,0,1]=3 552 B9R0.1 COC(=O)CCCS(=O)C Z802572168 [0,2,0,0,0,0|1,0,1]=4 553 B9R0.1 COC(=O)CCNC(C)C Z140567588 [0,2,0,0,0,0|2,0,0]=4 554 B9R0.1 COC(=O)CNCC(C)C Z235645558 [0,2,0,0,0,0|2,0,0]=4 555 B9R0.1 COC(=O)CSCC(=O)O Z65933549 [0,2,0,0,0,0|1,0,1]=4 556 B9R0.1 COC(=O)NCCC(=O)O Z192954732 [0,2,0,0,0,0|1,0,1]=4 557 B9R0.1 O=C(O)CCNC(=O)CO Z1203746027 [0,2,0,0,0,0|0,0,1]=3 558 B9R0.5 CCCNCC(=O)OCC Z235653500 [0,2,0,0,0,0|2,0,0]=4 559 B9R0.5 CCNC(=O)NCCCO Z425745002 [0,2,0,0,0,0|2,0,0]=4 560 B9R0.5 CCOC(=O)CCCCN Z1741976369 [0,2,0,0,0,0|1,0,0]=3 561 B9R0.5 CCOC(=O)COCCN Z2235644494 [0,2,0,0,0,0|2,0,0]=4 562 B9R0.8 CCCCC(N)C(=O)NO Z1184862892 [0,2,0,0,0,0|1,0,0]=3 563 B9R0.8 CCCCC(N)C(=O)OC Z1675167157 [0,2,0,0,0,0|1,0,0]=3 564 B9R0.8 CCNCC(C)C(=O)OC Z431542702 [0,2,0,0,0,0|2,0,0]=4 565 B9R0.8 COC(=O)N(C)CCCO Z1896509823 [0,2,0,0,0,0|1,0,0]=3 566 B9R0.8 COCCC(N)C(=O)OC Z2168389573 [0,2,0,0,0,0|2,0,0]=4 567 B9R0.24 COC(=O)CCC(=O)CN Z3015912776 [0,2,0,0,0,0|1,0,1]=4 568 B9R0.24 COC(=O)CCC(C)OC Z1634338049 [0,2,0,0,0,0|2,0,0]=4 569 B9R0.46 CCCCCNC(=O)CCl Z147647946 [0,2,0,0,0,0|2,0,0]=4 570 B9R0.46 CCCCCNC(=O)NN Z234895165 [0,2,0,0,0,0|2,0,0]=4 571 B9R0.46 CNCCCCC(=O)NC Z5446045777 [0,2,0,0,0,0|2,0,0]=4 572 B9R0.46 COC(=O)CCCCCN Z57012282 [0,2,0,0,0,0|1,0,0]=3 573 B9R0.46 COC(=O)CCSCCN Z440803698 [0,2,0,0,0,0|1,0,0]=3 574 B9R0.46 COCCCNC(=O)CCl Z56886372 [0,2,0,0,0,0|2,0,0]=4 575 B9R0.47 C#CCCCC(N)C(=O)O Z3325155760 [0,2,0,0,0,0|1,0,0]=3 576 B9R0.47 C=CCCCC(N)C(=O)O Z2906280520 [0,2,0,0,0,0|1,0,0]=3 577 B9R0.47 C=CCCOC(C)C(=O)O Z362807908 [0,2,0,0,0,0|1,0,1]=4 578 B9R0.47 CC(CSCCN)C(=O)O Z2379806326 [0,2,0,0,0,0|1,0,0]=3 579 B9R0.47 CCC/C=C/C(O)C(=O)O Z2681277218 [0,2,0,0,0,0|1,0,1]=4 580 B9R0.47 CCCCCC(O)C(=O)O Z788000584 [0,2,0,0,0,0|1,0,0]=3 581 B9R0.47 CCCCOC(C)C(=O)O Z409190966 [0,2,0,0,0,0|1,0,0]=3 582 B9R0.47 CCCCSC(C)C(=O)O Z149191762 [0,2,0,0,0,0|1,0,0]=3 583 B9R0.47 CCCSCC(N)C(=O)O Z444349874 [0,2,0,0,0,0|1,0,0]=3 584 B9R0.47 COCCCC(N)C(=O)O Z1428160326 [0,2,0,0,0,0|0,0,0]=2 585 B9R0.47 COCCNC(=O)C(=O)O Z424779030 [0,2,0,0,0,0|1,0,1]=4 586 B9R0.47 COCCNC(C)C(=O)N Z1263820333 [0,2,0,0,0,0|2,0,0]=4 587 B9R0.47 COCCOC(C)C(=O)O Z316259198 [0,2,0,0,0,0|1,0,0]=3 588 B9R0.47 CSCCCC(N)C(=O)O Z3274997631 [0,2,0,0,0,0|0,1,0]=3 589 B9R0.47 NCC#CCC(N)C(=O)O Z1650644415 [0,2,0,0,0,0|1,0,1]=4 590 B9R0.47 NCCCCC(N)C(=O)O Z57127389 [0,2,0,0,0,0|1,0,0]=3 591 B9R0.47 NCCCC[C@H](N)C(=O)O Z812534818 [0,2,0,0,0,0|1,0,0]=3 592 B9R0.2 C#CCCCCCC(=O)O Z1205493707 [0,2,0,0,0,0|1,0,0]=3 593 B9R0.2 C=CCOCCCC(=O)O Z362807808 [0,2,0,0,0,0|1,0,0]=3 594 B9R0.2 CC(=O)NCCOCCO Z353623894 [0,2,0,0,0,0|1,0,0]=3 595 B9R0.2 CCCCCCCC(=O)O Z104495238 [0,2,0,0,0,0|1,0,0]=3 596 B9R0.2 CCCCCNCC(=O)N Z104536260 [0,2,0,0,0,0|2,0,0]=4 597 B9R0.2 CCCCCOCC(=O)O Z409357548 [0,2,0,0,0,0|1,0,0]=3 598 B9R0.2 CCCCSCCC(=O)O Z149304844 [0,2,0,0,0,0|1,0,0]=3 599 B9R0.2 CCNCCCCC(=O)O Z2893830564 [0,2,0,0,0,0|1,0,0]=3 600 B9R0.2 CCOCCCNC(=O)N Z56985786 [0,2,0,0,0,0|2,0,0]=4 601 B9R0.2 CCOCCOCC(=O)O Z316258972 [0,2,0,0,0,0|1,0,0]=3 602 B9R0.2 COCCNCCC(=O)O Z53116030 [0,2,0,0,0,0|0,0,0]=2 603 B9R0.2 COCCOCCC(=O)O Z316259200 [0,2,0,0,0,0|0,0,0]=2 604 B9R0.2 NC(=O)NCCOCCO Z198194948 [0,2,0,0,0,0|1,0,0]=3 605 B9R0.2 NCCCCCCC(=O)O Z56896351 [0,2,0,0,0,0|1,0,0]=3 606 B9R0.2 NCCOCCCC(=O)O Z5080450038 [0,2,0,0,0,0|1,0,0]=3 607 B9R0.2 O=C(O)CCNCCCO Z53116999 [0,2,0,0,0,0|0,0,0]=2 608 B9R0.38 COCCCCS(=O)(=O)N Z1206904572 [0,2,0,0,0,0|1,0,1]=4 609 B9R0.48 CCCC(=O)NCC(=O)O Z285193236 [0,2,0,0,0,0|1,0,1]=4 610 B9R0.48 CCCN(C)CCC(=O)O Z1259273124 [0,2,0,0,0,0|1,0,0]=3 611 B9R0.48 CCNC(=O)CCC(=O)O Z90312637 [0,2,0,0,0,0|1,0,1]=4 612 B9R0.48 CCOC(=O)CCC(=O)O Z56896764 [0,2,0,0,0,0|1,0,1]=4 613 B9R0.48 CN(CCO)CCC(=O)O Z53116523 [0,2,0,0,0,0|0,0,0]=2 614 B9R0.48 COCC(C)NCC(=O)O Z1259273105 [0,2,0,0,0,0|1,0,0]=3 615 B9R0.48 NCCC(=O)NCC(=O)O Z1901071297 [0,2,0,0,0,0|1,0,1]=4 616 B9R0.55 CC(C)CCCCC(=O)O Z1198148498 [0,2,0,0,0,0|1,0,0]=3 617 B9R0.55 CC(C)CCOCC(=O)O Z316259082 [0,2,0,0,0,0|1,0,0]=3 618 B9R0.55 CC(C)CCSCC(=O)O Z228589154 [0,2,0,0,0,0|1,0,0]=3 619 B9R0.55 CC(C)CNCCC(=O)O Z594038396 [0,2,0,0,0,0|1,0,0]=3 620 B9R0.55 CC(C)COCCC(=O)O Z316259216 [0,2,0,0,0,0|1,0,0]=3 621 B9R0.55 CC(C)CSCCC(=O)O Z54708723 [0,2,0,0,0,0|1,0,0]=3 622 B9R0.55 CC(C)NCCCC(=O)O Z235348217 [0,2,0,0,0,0|1,0,0]=3 623 B9R0.55 CC(C)OCCCC(=O)O Z316259254 [0,2,0,0,0,0|1,0,0]=3 624 B9R0.55 CC(N)CCCCC(=O)O Z1276446933 [0,2,0,0,0,0|1,0,0]=3 625 B9R0.55 CN(C)CCCCC(=O)O Z1259273153 [0,2,0,0,0,0|1,0,0]=3 626 B9R0.55 NC(=O)CCCCC(=O)O Z429601664 [0,2,0,0,0,0|0,0,1]=3 627 B9R0.55 NC(=O)CSCCC(=O)O Z17834964 [0,2,0,0,0,0|0,0,2]=4 628 B9R0.55 NC(=O)NCCCC(=O)O Z56912008 [0,2,0,0,0,0|0,0,2]=4 629 B9R0.55 O=C(O)CCCCC(=O)O Z57127533 [0,2,0,0,0,0|0,0,0]=2 630 B9R0.55 O=C(O)CCOCC(F)F Z1375308185 [0,2,0,0,0,0|1,0,0]=3 631 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [0,2,0,0,0,0|0,0,2]=4 632 B9R0.7 CC(C)C(N)CCC(=O)O Z4607148563 [0,2,0,0,0,0|1,0,0]=3 633 B9R0.7 CC(C)CCC(N)C(=O)O Z1259339953 [0,2,0,0,0,0|1,0,0]=3 634 B9R0.7 CC(C)COC(C)C(=O)O Z316259214 [0,2,0,0,0,0|2,0,0]=4 635 B9R0.7 CC(CCC(=O)O)N(C)C Z2732402258 [0,2,0,0,0,0|2,0,0]=4 636 B9R0.7 CC(CCN(C)C)C(=O)O Z2754060676 [0,2,0,0,0,0|2,0,0]=4 637 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [0,2,0,0,0,0|1,0,1]=4 638 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [0,2,0,0,0,0|0,0,2]=4 639 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [0,2,0,0,0,0|0,0,2]=4 640 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [0,2,0,0,0,0|0,0,2]=4 641 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [0,2,0,0,0,0|0,0,1]=3 642 B9R0.7 NC(CCC(=O)O)C(F)F Z2733335696 [0,2,0,0,0,0|1,0,0]=3 643 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [0,2,0,0,0,0|0,0,1]=3 644 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [0,2,0,0,0,0|0,0,1]=3 645 B9R0.7 O=C(O)CCC(=O)C(=O)O Z57127547 [0,2,0,0,0,0|0,0,2]=4 646 B9R0.13 CCC(CCOC)C(=O)O Z756391352 [0,2,0,0,0,0|2,0,0]=4 647 B9R0.13 CCCCC(CC)C(=O)N Z394696486 [0,2,0,0,0,0|2,0,0]=4 648 B9R0.13 CCCCC(CC)C(=O)O Z104478072 [0,2,0,0,0,0|1,0,0]=3 649 B9R0.13 COC(CCSC)C(=O)O Z1592680734 [0,2,0,0,0,0|2,0,0]=4 650 B9R0.42 CCC(=O)CC(N)C(=O)O Z1820077230 [0,2,0,0,0,0|1,0,1]=4 651 B9R0.42 CCC(C)CC(N)C(=O)O Z2306603552 [0,2,0,0,0,0|1,0,0]=3 652 B9R0.42 O=C(O)C(O)CC(O)CO Z1262514590 [0,2,0,0,0,0|0,0,0]=2 653 B9R0.51 CC(C)(CCC#N)C(=O)O Z1205495852 [0,2,0,0,0,0|1,0,1]=4 654 B9R0.51 CC(C)(CCCN)C(=O)O Z1516115695 [0,2,0,0,0,0|1,0,0]=3 655 B9R0.51 CCCCC(C)(F)C(=O)O Z1508949719 [0,2,0,0,0,0|1,0,0]=3 656 B9R0.51 COCCC(C)(C)C(=O)O Z995179662 [0,2,0,0,0,0|2,0,0]=4 657 B9R0.43 CCN(CC)CCC(=O)O Z1259161971 [0,2,0,0,0,0|2,0,0]=4 658 B9R0.64 CC(C)(CN)OCC(=O)O Z5213301974 [0,2,0,0,0,0|2,0,0]=4 659 B9R0.64 CC(C)(CO)CCC(=O)[O-] Z4539765468 [0,2,0,0,0,0|0,0,1]=3 660 B9R0.64 CCC(C)(C)OCC(=O)O Z362795510 [0,2,0,0,0,0|2,0,0]=4 661 B9R0.56 CC(C)(C)CCCC(=O)O Z819995404 [0,2,0,0,0,0|1,0,0]=3 662 B9R0.56 CC(C)(C)CNCC(=O)O Z2526356733 [0,2,0,0,0,0|2,0,0]=4 663 B9R0.56 CC(C)(C)NCCC(=O)O Z235348197 [0,2,0,0,0,0|2,0,0]=4 664 B9R0.56 CC(O)CCCS(=O)(=O)C Z854048832 [0,2,0,0,0,0|1,0,1]=4 665 B9R0.56 CS(=O)(=O)CCCC(=O)O Z732206736 [0,2,0,0,0,0|1,0,1]=4 666 B9R0.56 NS(=O)(=O)CCCC(=O)O Z351064580 [0,2,0,0,0,0|1,0,1]=4 667 B9R0.56 O=C(O)CCCC(F)(F)F Z1201621744 [0,2,0,0,0,0|1,0,0]=3 668 B9R0.56 O=C(O)CCCP(=O)(O)O Z1255431129 [0,2,0,0,0,0|1,0,0]=3 669 B9R0.56 O=C(O)CCSC(F)(F)F Z381191544 [0,2,0,0,0,0|2,0,0]=4 670 B9R0.56 O=C(O)CNCC(F)(F)F Z1259161959 [0,2,0,0,0,0|2,0,0]=4 671 B9R0.56 O=C(O)CNCP(=O)(O)O Z3225522739 [0,2,0,0,0,0|2,0,0]=4 672 B9R0.56 O=C(O)COCC(F)(F)F Z818727240 [0,2,0,0,0,0|2,0,0]=4 673 B7R1.2 CC1CC(=O)CN1 Z1509349081 [1,0,0,1,0,0|2,0,0]=4 674 B7R1.2 CC1CCC(=O)N1 Z1250132456 [1,0,0,1,0,0|1,0,0]=3 675 B7R1.2 CC1CCC(=O)O1 Z963595138 [1,0,0,1,0,0|0,0,0]=2 676 B7R1.2 CC1CCC(C1)O Z1233224917 [1,0,0,1,0,0|1,0,1]=4 677 B7R1.2 CC1CN=C(O1)N Z1203579428 [1,0,0,1,0,0|2,0,0]=4 678 B7R1.2 CC1CNC(=O)C1 Z959319678 [1,0,0,1,0,0|2,0,0]=4 679 B7R1.2 CC1CNC(=O)N1 Z1203730895 [1,0,0,1,0,0|2,0,0]=4 680 B7R1.2 CC1CNC(=O)O1 Z1198149952 [1,0,0,1,0,0|1,0,0]=3 681 B7R1.2 CN1CCC(=O)C1 Z415646350 [1,0,0,1,0,0|2,0,0]=4 682 B7R1.2 CN1CCC(=O)N1 Z1618125551 [1,0,0,1,0,0|2,0,0]=4 683 B7R1.2 O=C1CC(CN1)O Z1198157723 [1,0,0,1,0,0|2,0,0]=4 684 B7R1.2 O=C1CCC(=O)O1 Z57127506 [1,0,0,1,0,0|0,0,2]=4 685 B7R1.3 NC1=NCCCC1 Z1723418848 [1,0,0,1,0,0|2,0,0]=4 686 B7R1.3 O=C1C=CCCC1 Z295197140 [1,0,0,1,0,0|1,0,1]=4 687 B7R1.3 O=C1C=CCCO1 Z1255402681 [1,0,0,1,0,0|0,0,2]=4 688 B7R1.3 O=C1CCCCC1 Z104474256 [1,0,0,1,0,0|1,0,0]=3 689 B7R1.3 O=C1CCCCN1 Z168817684 [1,0,0,1,0,0|1,0,0]=3 690 B7R1.3 O=C1CCCCO1 Z432085120 [1,0,0,1,0,0|0,0,0]=2 691 B7R1.3 O=C1CCCCS1 Z1726147018 [1,0,0,1,0,0|0,1,0]=3 692 B7R1.3 O=C1CCCNC1 Z3063726909 [1,0,0,1,0,0|2,0,0]=4 693 B7R1.3 O=C1CCCNN1 Z1416174508 [1,0,0,1,0,0|2,0,0]=4 694 B7R1.3 O=C1CCCSC1 Z979714552 [1,0,0,1,0,0|1,1,0]=4 695 B7R1.3 O=C1CCNCC1 Z1741959513 [1,0,0,1,0,0|2,0,0]=4 696 B7R1.3 O=C1CNCCN1 Z56968535 [1,0,0,1,0,0|2,0,0]=4 697 B7R1.3 O=C1CSCCN1 Z337709368 [1,0,0,1,0,0|2,0,0]=4 698 B7R1.3 O=C1NCCCN1 Z1203730774 [1,0,0,1,0,0|2,0,0]=4 699 B7R1.3 O=C1NCCCO1 Z1198312172 [1,0,0,1,0,0|1,0,0]=3 700 B7R1.3 O=C1NNCCO1 Z2732442016 [1,0,0,1,0,0|2,0,0]=4 701 B7R1.3 OC1CCCCC1 Z104473498 [1,0,0,1,0,0|1,0,1]=4 702 B7R1.7 CCCCC1CO1 Z1020679810 [1,0,0,1,0,0|1,0,1]=4 703 B7R1.12 CC(=O)C1CC1C Z1259336498 [1,0,0,1,0,0|1,0,0]=3 704 B7R1.12 CC1CC1C(=O)N Z33546780 [1,0,0,1,0,0|1,0,0]=3 705 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [1,0,0,1,0,0|0,0,0]=2 706 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [1,0,0,1,0,0|0,0,0]=2 707 B7R1.14 CC1(CCCC1)O Z449370856 [1,0,0,1,0,0|1,0,1]=4 708 B7R1.14 N=S1(=O)CCCC1 Z1862022759 [1,0,0,1,0,0|2,0,0]=4 709 B7R1.18 CC(O)C1CCC1 Z1198149695 [1,0,0,1,0,0|1,0,1]=4 710 B7R1.18 N=C(N)C1CCC1 Z1532540511 [1,0,0,1,0,0|2,0,0]=4 711 B7R1.18 NC(=O)C1CCC1 Z33546656 [1,0,0,1,0,0|1,0,0]=3 712 B7R1.18 NC(=O)C1CNC1 Z2754447740 [1,0,0,1,0,0|2,0,0]=4 713 B7R1.18 O=C(O)C1CCC1 Z104472264 [1,0,0,1,0,0|0,0,0]=2 714 B7R1.18 O=C(O)C1CCN1 Z168878270 [1,0,0,1,0,0|1,0,0]=3 715 B7R1.18 O=C(O)C1CNC1 Z1171217434 [1,0,0,1,0,0|1,0,0]=3 716 B7R1.18 O=C(O)C1CSC1 Z1205495555 [1,0,0,1,0,0|1,0,0]=3 717 B7R1.20 CC(=O)CC1CC1 Z1198160502 [1,0,0,1,0,0|1,0,0]=3 718 B7R1.20 NC(=O)CC1CC1 Z365255854 [1,0,0,1,0,0|1,0,0]=3 719 B7R1.20 NC(=O)NC1CC1 Z57000532 [1,0,0,1,0,0|2,0,0]=4 720 B7R1.20 O=C(O)CC1CC1 Z234893653 [1,0,0,1,0,0|0,0,0]=2 721 B7R1.1 BrCC1CCCO1 Z90660999 [1,0,0,1,0,0|1,0,1]=4 722 B7R1.1 ClCC1CCCO1 Z56893271 [1,0,0,1,0,0|1,0,1]=4 723 B7R1.1 N#CC1CCCO1 Z1079178976 [1,0,0,1,0,0|1,0,1]=4 724 B7R1.1 NCC1C=CCC1 Z2768196818 [1,0,0,1,0,0|2,0,0]=4 725 B7R1.1 O=CC1=CCCC1 Z1190318866 [1,0,0,1,0,0|1,0,1]=4 726 B7R1.1 O=CC1CCCC1 Z875036058 [1,0,0,1,0,0|1,0,0]=3 727 B7R1.1 O=CC1CCOC1 Z199056102 [1,0,0,1,0,0|2,0,0]=4 728 B7R1.1 O=CC1CCSC1 Z1201681645 [1,0,0,1,0,0|2,0,0]=4 729 B7R1.1 O=CN1CCCC1 Z1255394997 [1,0,0,1,0,0|2,0,0]=4 730 B7R1.1 OCC1CC=CC1 Z1201622687 [1,0,0,1,0,0|1,0,1]=4 731 B7R1.1 OCC1CCCC1 Z397587414 [1,0,0,1,0,0|1,0,1]=4 732 B7R1.1 OCC1CCCN1 Z825308062 [1,0,0,1,0,0|1,0,1]=4 733 B7R1.1 OCC1CCCS1 Z1201679857 [1,0,0,1,0,0|0,1,1]=4 734 B7R1.1 OCC1CCNC1 Z976722188 [1,0,0,1,0,0|2,0,0]=4 735 B7R1.1 OCC1CCOC1 Z335245192 [1,0,0,1,0,0|2,0,0]=4 736 B7R1.1 OCC1CCSC1 Z1201679855 [1,0,0,1,0,0|2,0,0]=4 737 B7R1.1 OC[C@@H]1CCCN1 Z1123715411 [1,0,0,1,0,0|1,0,1]=4 738 B7R1.4 CC1CCCC1=O Z813018382 [1,0,0,1,0,0|1,0,0]=3 739 B7R1.4 CC1CCNC1=O Z1198147219 [1,0,0,1,0,0|2,0,0]=4 740 B7R1.4 CC1NCCC1=O Z2733314209 [1,0,0,1,0,0|2,0,0]=4 741 B7R1.4 CN1CCCC1=O Z104478382 [1,0,0,1,0,0|2,0,0]=4 742 B7R1.4 NC1CCOC1=O Z56921763 [1,0,0,1,0,0|2,0,0]=4 743 B7R1.4 NC1CCSC1=O Z56922158 [1,0,0,1,0,0|2,0,0]=4 744 B7R1.4 N[C@@H]1CCC[C@@H]1O Z2306841441 [1,0,0,1,0,0|1,0,1]=4 745 B7R1.4 N[C@@H]1CCC[C@H]1O Z2256393934 [1,0,0,1,0,0|1,0,1]=4 746 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [1,0,0,1,0,0|2,0,0]=4 747 B7R1.4 N[C@H]1CCC[C@@H]1O Z1197994837 [1,0,0,1,0,0|1,0,1]=4 748 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [1,0,0,1,0,0|2,0,0]=4 749 B7R1.4 O=C1CCCC1Cl Z104492966 [1,0,0,1,0,0|1,0,0]=3 750 B7R1.4 O=C1NCCC1F Z1203745843 [1,0,0,1,0,0|2,0,0]=4 751 B7R1.4 OC1CCCC1O Z600452564 [1,0,0,1,0,0|0,0,1]=3 752 B7R1.4 OC1CNCC1O Z1147229592 [1,0,0,1,0,0|1,0,1]=4 753 B7R1.4 O[C@@H]1CNC[C@H]1O Z2309778206 [1,0,0,1,0,0|1,0,1]=4 754 B7R1.4 O[C@H]1CNC[C@H]1O Z1318268689 [1,0,0,1,0,0|1,0,1]=4 755 B7R1.6 O=CCC1CCC1 Z1198184444 [1,0,0,1,0,0|1,0,0]=3 756 B7R1.6 O=CCC1COC1 Z1511884358 [1,0,0,1,0,0|2,0,0]=4 757 B7R1.8 CN[C@@H]1CC[C@H]1O Z2678247023 [1,0,0,1,0,0|2,0,0]=4 758 B7R1.9 CCC1CC1C=O Z1513989944 [1,0,0,1,0,0|1,0,0]=3 759 B7R1.9 CC[C@@H]1C[C@H]1C=O Z3300760890 [1,0,0,1,0,0|1,0,0]=3 760 B7R1.9 N#CC1CC1C=O Z1511894712 [1,0,0,1,0,0|1,0,1]=4 761 B7R1.24 C1CCNOCC1 Z1824482753 [1,0,0,1,0,0|1,0,1]=4 762 B9R1.7 CCCC1CNC(=O)C1 Z1201628058 [0,1,0,1,0,0|2,0,0]=4 763 B9R1.7 CNCC1COC(=O)O1 Z3827160287 [0,1,0,1,0,0|2,0,0]=4 764 B9R1.7 CNC[C@@H]1CCC(=O)N1 Z2941365002 [0,1,0,1,0,0|2,0,0]=4 765 B9R1.7 N#CCC1CCC(=O)N1 Z255150040 [0,1,0,1,0,0|2,0,0]=4 766 B9R1.7 O=C1CC(CN1)CCO Z1504681971 [0,1,0,1,0,0|1,0,0]=3 767 B9R1.13 CC(=O)CC1CCCO1 Z513734588 [0,1,0,1,0,0|1,0,0]=3 768 B9R1.13 CC(=O)CC1CCOC1 Z1321971717 [0,1,0,1,0,0|1,0,0]=3 769 B9R1.13 CC(=O)NC1CCCC1 Z32413858 [0,1,0,1,0,0|2,0,0]=4 770 B9R1.13 CC(O)CC1CCOC1 Z1322050500 [0,1,0,1,0,0|1,0,1]=4 771 B9R1.13 NC(=O)CC1CCCC1 Z33546662 [0,1,0,1,0,0|2,0,0]=4 772 B9R1.13 NC(=O)CC1CCCN1 Z1459435572 [0,1,0,1,0,0|2,0,0]=4 773 B9R1.13 NC(=O)CN1CCCC1 Z1184886892 [0,1,0,1,0,0|2,0,0]=4 774 B9R1.13 NC(=O)NC1CCCC1 Z56896930 [0,1,0,1,0,0|2,0,0]=4 775 B9R1.13 O=C(O)C=C1CCCC1 Z352748244 [0,1,0,1,0,0|1,0,1]=4 776 B9R1.13 O=C(O)CC1C=CCC1 Z104507506 [0,1,0,1,0,0|1,0,0]=3 777 B9R1.13 O=C(O)CC1CCCC1 Z104477042 [0,1,0,1,0,0|1,0,0]=3 778 B9R1.13 O=C(O)CC1CCCN1 Z1480642793 [0,1,0,1,0,0|1,0,0]=3 779 B9R1.13 O=C(O)CC1CCNC1 Z1863617764 [0,1,0,1,0,0|1,0,0]=3 780 B9R1.13 O=C(O)CC1CCOC1 Z825745916 [0,1,0,1,0,0|0,0,0]=2 781 B9R1.13 O=C(O)CC1OCCO1 Z1205496445 [0,1,0,1,0,0|0,0,0]=2 782 B9R1.13 O=C(O)CN1CCCC1 Z197269292 [0,1,0,1,0,0|1,0,0]=3 783 B9R1.13 O=C(O)C[C@@H]1CCCO1 Z1862025858 [0,1,0,1,0,0|0,0,0]=2 784 B9R1.13 O=C(O)C[C@H]1CCOC1 Z1205495408 [0,1,0,1,0,0|0,0,0]=2 785 B9R1.34 N[C@@H]1C[C@@H](C[C@@H](C1)O)O Z4512858324 [0,1,0,1,0,0|1,0,1]=4 786 B9R1.41 CC1=C(CCC1)C(=O)O Z1205493763 [0,1,0,1,0,0|1,0,1]=4 787 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [0,1,0,1,0,0|1,0,0]=3 788 B9R1.41 CC1CCNC1C(=O)O Z1708090072 [0,1,0,1,0,0|1,0,0]=3 789 B9R1.41 CC1NCCC1C(=O)O Z2009848190 [0,1,0,1,0,0|1,0,0]=3 790 B9R1.41 CC1OCCC1C(=O)O Z1263714390 [0,1,0,1,0,0|1,0,0]=3 791 B9R1.41 CN1CCCC1C(=O)O Z424762078 [0,1,0,1,0,0|1,0,0]=3 792 B9R1.41 CN1CCC[C@@H]1C(=O)O Z1205493803 [0,1,0,1,0,0|1,0,0]=3 793 B9R1.41 CN1CSCC1C(=O)O Z3069281046 [0,1,0,1,0,0|2,0,0]=4 794 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)N Z2235592159 [0,1,0,1,0,0|2,0,0]=4 795 B9R1.41 NC(=O)C1CCCC1N Z1203642185 [0,1,0,1,0,0|2,0,0]=4 796 B9R1.41 NC(=O)[C@H]1CCC[C@H]1N Z2311233523 [0,1,0,1,0,0|2,0,0]=4 797 B9R1.41 NC(=O)[C@H]1OCC[C@H]1N Z3719404582 [0,1,0,1,0,0|1,0,0]=3 798 B9R1.41 NC1CCCC1C(=O)O Z1250132738 [0,1,0,1,0,0|1,0,0]=3 799 B9R1.41 NN1CCC[C@@H]1C(=O)O Z1205495541 [0,1,0,1,0,0|1,0,0]=3 800 B9R1.41 NN1CCC[C@H]1C(=O)O Z1205494129 [0,1,0,1,0,0|1,0,0]=3 801 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Z2568674579 [0,1,0,1,0,0|1,0,0]=3 802 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O Z2937968219 [0,1,0,1,0,0|0,0,0]=2 803 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Z2327569946 [0,1,0,1,0,0|1,0,0]=3 804 B9R1.41 O=C(O)C1=C(CCC1)Cl Z1198161164 [0,1,0,1,0,0|1,0,1]=4 805 B9R1.41 O=C(O)C1CCCC1O Z1080722426 [0,1,0,1,0,0|0,0,0]=2 806 B9R1.41 O=C(O)C1CCNC1=O Z1203733517 [0,1,0,1,0,0|0,0,2]=4 807 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F Z3305005618 [0,1,0,1,0,0|1,0,0]=3 808 B9R1.48 CC1COCCC(=O)N1 Z1203833663 [0,1,0,1,0,0|2,0,0]=4 809 B9R1.48 O=C1CCCCC(=O)C1 Z607750376 [0,1,0,1,0,0|1,0,1]=4 810 B9R1.53 CN1CC(C1)CC(=O)O Z2239020739 [0,1,0,1,0,0|2,0,0]=4 811 B9R1.53 NC(=O)CC1CC(C1)N Z2831568112 [0,1,0,1,0,0|2,0,0]=4 812 B9R1.53 NC1CC(C1)CC(=O)O Z2832014018 [0,1,0,1,0,0|1,0,0]=3 813 B9R1.53 NC1CN(C1)CC(=O)O Z4201331449 [0,1,0,1,0,0|2,0,0]=4 814 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O Z3032846287 [0,1,0,1,0,0|1,0,0]=3 815 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O Z2310055381 [0,1,0,1,0,0|1,0,0]=3 816 B9R1.59 CCOC1CC1C(=O)O Z432051730 [0,1,0,1,0,0|1,0,0]=3 817 B9R1.66 O=S1(=O)CCCC(C1)O Z1172097926 [0,1,0,1,0,0|1,0,1]=4 818 B9R1.86 NC[C@@H]1C[C@@H]1CC(=O)O Z4913154380 [0,1,0,1,0,0|1,0,0]=3 819 B9R1.137 CC(CC(=O)O)C1CC1 Z352782228 [0,1,0,1,0,0|1,0,0]=3 820 B9R1.137 CN(CC(=O)O)C1CC1 Z409100214 [0,1,0,1,0,0|2,0,0]=4 821 B9R1.137 NC(=O)CC(N)C1CC1 Z1259339889 [0,1,0,1,0,0|2,0,0]=4 822 B9R1.137 NC(CC(=O)O)C1CC1 Z975824848 [0,1,0,1,0,0|1,0,0]=3 823 B9R1.137 O=C([O-])CC(O)C1CC1 Z3048907687 [0,1,0,1,0,0|1,0,1]=4 824 B9R1.171 NC(=O)CC1(CCC1)N Z1415889529 [0,1,0,1,0,0|2,0,0]=4 825 B9R1.171 NC1(CCC1)CC(=O)O Z1318147475 [0,1,0,1,0,0|1,0,0]=3 826 B9R1.177 CCCC1(CC(=O)N1)C Z1238837566 [0,1,0,1,0,0|2,0,0]=4 827 B9R1.1 CCC1CCC(=O)CC1 Z104475572 [0,1,0,1,0,0|2,0,0]=4 828 B9R1.1 NCC1CCC(=O)NC1 Z2418414181 [0,1,0,1,0,0|2,0,0]=4 829 B9R1.1 NCC1CNC(=O)CO1 Z3235039166 [0,1,0,1,0,0|2,0,0]=4 830 B9R1.1 OCC1CCC(CC1)O Z1255451065 [0,1,0,1,0,0|1,0,1]=4 831 B9R1.2 CC1CNCC(O1)CO Z1509113623 [0,1,0,1,0,0|1,0,1]=4 832 B9R1.2 CCC1CC(=O)CCO1 Z1192338795 [0,1,0,1,0,0|2,0,0]=4 833 B9R1.2 CCC1CCCC(=O)C1 Z1201627363 [0,1,0,1,0,0|2,0,0]=4 834 B9R1.2 CCC1CCNC(=O)C1 Z1203732244 [0,1,0,1,0,0|2,0,0]=4 835 B9R1.2 COC1CCCC(=O)N1 Z1203731823 [0,1,0,1,0,0|1,0,0]=3 836 B9R1.2 COC1CCCC(C1)O Z104476334 [0,1,0,1,0,0|1,0,1]=4 837 B9R1.2 N#CC1CCCC(=O)C1 Z907709920 [0,1,0,1,0,0|2,0,0]=4 838 B9R1.2 O=C1CC(CCN1)CO Z1255502253 [0,1,0,1,0,0|1,0,0]=3 839 B9R1.2 O=C1CCCC(N1)CO Z1198313433 [0,1,0,1,0,0|1,0,0]=3 840 B9R1.2 O=C1CNC[C@@H](N1)CO Z1203822229 [0,1,0,1,0,0|1,0,0]=3 841 B9R1.2 O=C1CNC[C@H](N1)CO Z1203822228 [0,1,0,1,0,0|1,0,0]=3 842 B9R1.3 CC1CCCC(=O)C1C Z1198319146 [0,1,0,1,0,0|2,0,0]=4 843 B9R1.3 NC1CCCN(C1=O)O Z1203581684 [0,1,0,1,0,0|2,0,0]=4 844 B9R1.3 N[C@@H]1CCC[C@H]([C@H]1O)O Z4497061557 [0,1,0,1,0,0|1,0,1]=4 845 B9R1.5 CC1CCCCNC1=O Z1198181151 [0,1,0,1,0,0|2,0,0]=4 846 B9R1.5 NC1CCCCCC1=O Z2213893401 [0,1,0,1,0,0|2,0,0]=4 847 B9R1.5 NC1CCCCNC1=O Z281895050 [0,1,0,1,0,0|2,0,0]=4 848 B9R1.5 O=C1CCCCCC1Cl Z223607164 [0,1,0,1,0,0|2,0,0]=4 849 B9R1.5 O=C1NCCCCC1Br Z220343714 [0,1,0,1,0,0|2,0,0]=4 850 B9R1.11 CCC(=O)C1CCCC1 Z513735272 [0,1,0,1,0,0|2,0,0]=4 851 B9R1.11 CNC(=O)C1CCCN1 Z252845110 [0,1,0,1,0,0|2,0,0]=4 852 B9R1.11 COC(=O)C1CCCC1 Z18376105 [0,1,0,1,0,0|1,0,0]=3 853 B9R1.11 COC(=O)C1CCCN1 Z240133664 [0,1,0,1,0,0|1,0,0]=3 854 B9R1.11 COC(=O)C1CCNC1 Z1162448855 [0,1,0,1,0,0|2,0,0]=4 855 B9R1.11 COC(=O)C1CCNO1 Z3182027836 [0,1,0,1,0,0|1,0,0]=3 856 B9R1.11 COC(=O)C1CCOC1 Z802555348 [0,1,0,1,0,0|2,0,0]=4 857 B9R1.11 COC(=O)C1CCSS1 Z3302120689 [0,1,0,1,0,0|1,1,0]=4 858 B9R1.11 COC(=O)C1NCCS1 Z1203162102 [0,1,0,1,0,0|1,1,0]=4 859 B9R1.11 COC(=O)[C@@H]1CCCN1 Z1263714077 [0,1,0,1,0,0|1,0,0]=3 860 B9R1.11 N/C(=N\O)/C1CCCC1 Z285132798 [0,1,0,1,0,0|2,0,0]=4 861 B9R1.11 NNC(=O)C1CCCC1 Z58981928 [0,1,0,1,0,0|2,0,0]=4 862 B9R1.11 O=C(CCl)C1CCCC1 Z1198266546 [0,1,0,1,0,0|2,0,0]=4 863 B9R1.11 O=C(CCl)C1CCCO1 Z1205660980 [0,1,0,1,0,0|1,0,0]=3 864 B9R1.11 O=C(CO)N1CCCC1 Z431952022 [0,1,0,1,0,0|2,0,0]=4 865 B9R1.11 O=C(NO)C1CCCO1 Z59183015 [0,1,0,1,0,0|0,0,0]=2 866 B9R1.21 OC[C@@H]1CC[C@H](N1)CO Z2309988693 [0,1,0,1,0,0|1,0,1]=4 867 B9R1.49 O=C1CCCC(CN1)O Z1255401193 [0,1,0,1,0,0|1,0,0]=3 868 B9R1.50 O=C1CCCCCCC1 Z104474712 [0,1,0,1,0,0|2,0,0]=4 869 B9R1.50 O=C1CCCCNCC1 Z5186715583 [0,1,0,1,0,0|2,0,0]=4 870 B9R1.50 O=C1CCNCCCN1 Z1262578602 [0,1,0,1,0,0|2,0,0]=4 871 B9R1.79 O=C(CCl)CC1CCC1 Z1827533014 [0,1,0,1,0,0|2,0,0]=4 872 B9R1.79 O=C(CO)OC1CCC1 Z1962692460 [0,1,0,1,0,0|2,0,0]=4 873 B9R1.80 COC(=O)CCC1CO1 Z1504689355 [0,1,0,1,0,0|0,0,0]=2 874 B9R1.80 O=C(CCl)CCC1CC1 Z2408823652 [0,1,0,1,0,0|2,0,0]=4 875 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N Z2786078634 [0,1,0,1,0,0|1,0,0]=3 876 B9R1.88 COC(=O)[C@@H]1C[C@H]1C=O Z3664810584 [0,1,0,1,0,0|0,0,2]=4 877 B9R1.89 O/N=C\1/CCCCCN1 Z56928892 [0,1,0,1,0,0|2,0,0]=4 878 B9R1.89 O=CC1=CCCCCC1 Z1190318867 [0,1,0,1,0,0|2,0,0]=4 879 B9R1.118 CC1(CCCCO1)C=O Z2178581866 [0,1,0,1,0,0|1,0,1]=4 880 B9R1.132 CN1C(=O)CCC1CO Z1255502015 [0,1,0,1,0,0|1,0,0]=3 881 B9R1.132 N[C@H]1C(=O)OC[C@H]1CO Z4342606943 [0,1,0,1,0,0|2,0,0]=4 882 B9R1.6 CC(=O)C1CCCCN1 Z1954800414 [0,1,0,1,0,0|2,0,0]=4 883 B9R1.6 CC(=O)C1CCCOC1 Z1259153006 [0,1,0,1,0,0|1,0,0]=3 884 B9R1.6 CC(=O)C1CCNCC1 Z1741977299 [0,1,0,1,0,0|2,0,0]=4 885 B9R1.6 CC(=O)C1CCOCC1 Z1178490124 [0,1,0,1,0,0|2,0,0]=4 886 B9R1.6 CC(=O)N1CCCOC1 Z2143251901 [0,1,0,1,0,0|2,0,0]=4 887 B9R1.6 CC(=O)[C@@H]1CCCCN1 Z1618016835 [0,1,0,1,0,0|2,0,0]=4 888 B9R1.6 CC(=O)[C@H]1CCCCN1 Z2234185612 [0,1,0,1,0,0|2,0,0]=4 889 B9R1.6 CC(O)C1CNCCO1 Z1203734763 [0,1,0,1,0,0|1,0,1]=4 890 B9R1.6 N=C(N)C1CCCOC1 Z5597542232 [0,1,0,1,0,0|2,0,0]=4 891 B9R1.6 NC(=O)C1CCCCC1 Z33546516 [0,1,0,1,0,0|2,0,0]=4 892 B9R1.6 NC(=O)C1CCCCN1 Z90122010 [0,1,0,1,0,0|2,0,0]=4 893 B9R1.6 NC(=O)C1CCCNC1 Z85932258 [0,1,0,1,0,0|2,0,0]=4 894 B9R1.6 NC(=O)C1CCNCC1 Z1450533743 [0,1,0,1,0,0|2,0,0]=4 895 B9R1.6 NC(=O)C1CCOCC1 Z82670321 [0,1,0,1,0,0|2,0,0]=4 896 B9R1.6 NC(=O)C1CNCCN1 Z203041340 [0,1,0,1,0,0|2,0,0]=4 897 B9R1.6 NC(=O)C1CNCCO1 Z854097660 [0,1,0,1,0,0|1,0,0]=3 898 B9R1.6 NC(=O)C1CSCCN1 Z1198160722 [0,1,0,1,0,0|2,0,0]=4 899 B9R1.6 NC(=O)N1CCCCC1 Z56917364 [0,1,0,1,0,0|2,0,0]=4 900 B9R1.6 NC(=O)[C@@H]1CNCCO1 Z2434225518 [0,1,0,1,0,0|1,0,0]=3 901 B9R1.6 NC(=O)[C@H]1CNCCO1 Z2434225532 [0,1,0,1,0,0|1,0,0]=3 902 B9R1.6 O=C(O)C1=CCCNC1 Z1198149389 [0,1,0,1,0,0|1,0,1]=4 903 B9R1.6 O=C(O)C1=CCCSC1 Z1172114103 [0,1,0,1,0,0|1,0,1]=4 904 B9R1.6 O=C(O)C1=COCCC1 Z1013753084 [0,1,0,1,0,0|0,0,1]=3 905 B9R1.6 O=C(O)C1=COCCO1 Z56757223 [0,1,0,1,0,0|0,0,2]=4 906 B9R1.6 O=C(O)C1C=CCCC1 Z57127330 [0,1,0,1,0,0|1,0,0]=3 907 B9R1.6 O=C(O)C1C=CCCN1 Z3668162534 [0,1,0,1,0,0|1,0,1]=4 908 B9R1.6 O=C(O)C1C=CCNC1 Z3488456277 [0,1,0,1,0,0|1,0,1]=4 909 B9R1.6 O=C(O)C1CC=CCC1 Z57921336 [0,1,0,1,0,0|1,0,1]=4 910 B9R1.6 O=C(O)C1CC=CCN1 Z3839411211 [0,1,0,1,0,0|1,0,1]=4 911 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [0,1,0,1,0,0|1,0,0]=3 912 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [0,1,0,1,0,0|1,0,0]=3 913 B9R1.6 O=C(O)C1CCCCO1 Z963633098 [0,1,0,1,0,0|0,0,0]=2 914 B9R1.6 O=C(O)C1CCCNC1 Z324553206 [0,1,0,1,0,0|1,0,0]=3 915 B9R1.6 O=C(O)C1CCCOC1 Z445214062 [0,1,0,1,0,0|0,0,0]=2 916 B9R1.6 O=C(O)C1CCCSC1 Z1198485079 [0,1,0,1,0,0|0,1,0]=3 917 B9R1.6 O=C(O)C1CCCSS1 Z1262517456 [0,1,0,1,0,0|0,1,0]=3 918 B9R1.6 O=C(O)C1CCNC=N1 Z2471799191 [0,1,0,1,0,0|1,0,1]=4 919 B9R1.6 O=C(O)C1CCNCC1 Z104474390 [0,1,0,1,0,0|1,0,0]=3 920 B9R1.6 O=C(O)C1CCOCC1 Z85923421 [0,1,0,1,0,0|1,0,0]=3 921 B9R1.6 O=C(O)C1CCSCC1 Z826531634 [0,1,0,1,0,0|1,0,0]=3 922 B9R1.6 O=C(O)C1CCSCN1 Z1235963996 [0,1,0,1,0,0|1,0,0]=3 923 B9R1.6 O=C(O)C1CNCCN1 Z1273089259 [0,1,0,1,0,0|1,0,0]=3 924 B9R1.6 O=C(O)C1COCCN1 Z1255387606 [0,1,0,1,0,0|1,0,0]=3 925 B9R1.6 O=C(O)C1COCCO1 Z362763682 [0,1,0,1,0,0|0,0,0]=2 926 B9R1.6 O=C(O)C1CSCCS1 Z147642878 [0,1,0,1,0,0|0,1,0]=3 927 B9R1.6 O=C(O)C1SCCCS1 Z275241266 [0,1,0,1,0,0|0,1,0]=3 928 B9R1.6 O=C(O)C1SCSCS1 Z221524182 [0,1,0,1,0,0|1,1,0]=4 929 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [0,1,0,1,0,0|1,0,0]=3 930 B9R1.6 O=C([O-])C1CCC=CO1 Z1592042421 [0,1,0,1,0,0|0,0,2]=4 931 B9R1.40 C[C@]1(CCNC[C@@H]1O)O Z4437808787 [0,1,0,1,0,0|1,0,1]=4 932 B9R1.40 C[C@]1(CNCC[C@@H]1O)O Z3333750066 [0,1,0,1,0,0|1,0,1]=4 933 B9R1.67 CC1CCN1CC(=O)O Z2177030978 [0,1,0,1,0,0|1,0,0]=3 934 B9R1.67 NC1CCC1CC(=O)O Z4080002320 [0,1,0,1,0,0|1,0,0]=3 935 B9R1.83 OCCCOCC1CO1 Z4201876111 [0,1,0,1,0,0|1,0,1]=4 936 B9R1.84 O=C(O)/C=C/C1CCC1 Z1868431084 [0,1,0,1,0,0|1,0,1]=4 937 B9R1.84 O=C(O)C#CC1CCC1 Z1235950879 [0,1,0,1,0,0|1,0,1]=4 938 B9R1.84 O=C(O)CNC1CCC1 Z4897302450 [0,1,0,1,0,0|1,0,0]=3 939 B9R1.85 NC(=O)COCC1CC1 Z458887542 [0,1,0,1,0,0|2,0,0]=4 940 B9R1.85 O=C(O)CCNC1CC1 Z235346951 [0,1,0,1,0,0|1,0,0]=3 941 B9R1.85 O=C(O)CNCC1CC1 Z359505670 [0,1,0,1,0,0|1,0,0]=3 942 B9R1.85 O=C(O)COCC1CC1 Z332379290 [0,1,0,1,0,0|1,0,0]=3 943 B9R1.96 NC[C@@H]1CC[C@@H]1C(=O)O Z4659668967 [0,1,0,1,0,0|1,0,0]=3 944 B9R1.23 CCC1CC(C(=O)N1)C Z1203824349 [0,1,0,1,0,0|2,0,0]=4 945 B9R1.23 CN1CC(CC1=O)CO Z1198184730 [0,1,0,1,0,0|2,0,0]=4 946 B9R1.23 CN1CC(OC1=O)CN Z1623864195 [0,1,0,1,0,0|2,0,0]=4 947 B9R1.23 CN1CC(OC1=O)CO Z1509012500 [0,1,0,1,0,0|1,0,0]=3 948 B9R1.35 CC(=O)N1CCC(C1)O Z1037571952 [0,1,0,1,0,0|2,0,0]=4 949 B9R1.35 CC1=NOC(C1)C(=O)O Z1198309057 [0,1,0,1,0,0|1,0,1]=4 950 B9R1.35 CC1C=C(CC1)C(=O)O Z1205494874 [0,1,0,1,0,0|1,0,1]=4 951 B9R1.35 CC1CC(CO1)C(=O)O Z1509040560 [0,1,0,1,0,0|2,0,0]=4 952 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [0,1,0,1,0,0|1,0,0]=3 953 B9R1.35 CC1COC(C1)C(=O)O Z2785866738 [0,1,0,1,0,0|0,0,0]=2 954 B9R1.35 CC1NC(CS1)C(=O)O Z317026564 [0,1,0,1,0,0|2,0,0]=4 955 B9R1.35 CN1CCC(C1)C(=O)O Z406683232 [0,1,0,1,0,0|2,0,0]=4 956 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [0,1,0,1,0,0|1,0,0]=3 957 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [0,1,0,1,0,0|0,0,0]=2 958 B9R1.35 NC(=O)C1CC(CN1)O Z56960275 [0,1,0,1,0,0|2,0,0]=4 959 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F Z1203582968 [0,1,0,1,0,0|2,0,0]=4 960 B9R1.35 NC(=O)[C@H]1CC[C@H](C1)N Z2238896801 [0,1,0,1,0,0|2,0,0]=4 961 B9R1.35 NC1C=CC(C1)C(=O)O Z1350606478 [0,1,0,1,0,0|1,0,1]=4 962 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O Z2307368779 [0,1,0,1,0,0|1,0,0]=3 963 B9R1.35 O=C(O)C1CCC(C1)F Z1981870592 [0,1,0,1,0,0|1,0,0]=3 964 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O Z2470415380 [0,1,0,1,0,0|1,0,0]=3 965 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O Z802856442 [0,1,0,1,0,0|1,0,0]=3 966 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O Z1201624589 [0,1,0,1,0,0|1,0,0]=3 967 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [0,1,0,1,0,0|0,0,2]=4 968 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [0,1,0,1,0,0|0,0,2]=4 969 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [0,1,0,1,0,0|0,0,1]=3 970 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [0,1,0,1,0,0|0,0,2]=4 971 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [0,1,0,1,0,0|0,0,2]=4 972 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [0,1,0,1,0,0|0,0,2]=4 973 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [0,1,0,1,0,0|1,0,1]=4 974 B9R1.35 O=C1COC(C1)C(=O)O Z3002628864 [0,1,0,1,0,0|0,0,1]=3 975 B9R1.35 O=C1NCC(O1)C(=O)O Z1203735066 [0,1,0,1,0,0|1,0,1]=4 976 B9R1.35 O=C1OCC(O1)C(=O)O Z1889707900 [0,1,0,1,0,0|1,0,1]=4 977 B9R1.69 CC1CCC(C(=O)C1)C Z1238548176 [0,1,0,1,0,0|2,0,0]=4 978 B9R1.69 CC1CCC(C(=O)N1)C Z1203817414 [0,1,0,1,0,0|2,0,0]=4 979 B9R1.69 CC1NC(=O)CCC1N Z1509112048 [0,1,0,1,0,0|2,0,0]=4 980 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O Z2681202678 [0,1,0,1,0,0|2,0,0]=4 981 B9R1.95 N#C[C@H]1C[C@@H](C1)C(=O)O Z4320204664 [0,1,0,1,0,0|1,0,1]=4 982 B9R1.95 NCC1CC(C1)C(=O)O Z3247510672 [0,1,0,1,0,0|1,0,0]=3 983 B9R1.110 CC(C(=O)O)C1CCC1 Z1198237996 [0,1,0,1,0,0|1,0,0]=3 984 B9R1.110 CC(C(=O)O)C1CNC1 Z1741794178 [0,1,0,1,0,0|2,0,0]=4 985 B9R1.110 CC(C(=O)O)N1CCC1 Z2310732393 [0,1,0,1,0,0|2,0,0]=4 986 B9R1.110 NC(C(=O)O)C1CCC1 Z1309515310 [0,1,0,1,0,0|1,0,0]=3 987 B9R1.110 O=C(O)C(O)C1CCC1 Z1205496047 [0,1,0,1,0,0|1,0,0]=3 988 B9R1.112 NC(CC1CC1)C(=O)O Z431958560 [0,1,0,1,0,0|1,0,0]=3 989 B9R1.112 O=C(O)C(F)CC1CC1 Z1443587524 [0,1,0,1,0,0|1,0,0]=3 990 B9R1.163 CC(=O)C1(CCCC1)N Z2736561944 [0,1,0,1,0,0|2,0,0]=4 991 B9R1.163 CC(=O)C1(CCCO1)C Z1389051490 [0,1,0,1,0,0|1,0,0]=3 992 B9R1.163 CC(O)C1(CCCO1)C Z1389051935 [0,1,0,1,0,0|1,0,1]=4 993 B9R1.163 CC1(CCCC1)C(=O)O Z199537270 [0,1,0,1,0,0|1,0,0]=3 994 B9R1.163 CC1(CCCN1)C(=O)O Z1483991628 [0,1,0,1,0,0|1,0,0]=3 995 B9R1.163 CC1(CCCO1)C(=O)O Z1198171568 [0,1,0,1,0,0|0,0,0]=2 996 B9R1.163 CC1(CCCS1)C(=O)O Z1268152237 [0,1,0,1,0,0|0,1,0]=3 997 B9R1.163 CC1(CCNC1)C(=O)O Z1407007571 [0,1,0,1,0,0|2,0,0]=4 998 B9R1.163 CC1(CCOC1)C(=O)O Z995182654 [0,1,0,1,0,0|2,0,0]=4 999 B9R1.163 NC(=O)C1(CCCC1)N Z1267881706 [0,1,0,1,0,0|2,0,0]=4 1000 B9R1.163 NC(=O)C1(CCCC1)O Z965048590 [0,1,0,1,0,0|2,0,0]=4 1001 B9R1.163 NC1(CCCC1)C(=O)O Z234896477 [0,1,0,1,0,0|1,0,0]=3 1002 B9R1.163 NC1(CCOC1)C(=O)O Z1124555363 [0,1,0,1,0,0|2,0,0]=4 1003 B9R1.163 NC1(CCSC1)C(=O)O Z317024750 [0,1,0,1,0,0|2,0,0]=4 1004 B9R1.163 O=C(O)C1(CCCC1)O Z220335554 [0,1,0,1,0,0|1,0,0]=3 1005 B9R1.163 O=C(O)C1(CCOC1)F Z1893239035 [0,1,0,1,0,0|2,0,0]=4 1006 B9R1.163 O=C(O)C1(CCOC1)O Z1124555786 [0,1,0,1,0,0|2,0,0]=4 1007 B9R1.125 CC1(CCC(=O)N1)CN Z2242950987 [0,1,0,1,0,0|2,0,0]=4 1008 B9R1.125 CC1(CCC(=O)N1)CO Z1258978054 [0,1,0,1,0,0|1,0,0]=3 1009 B9R1.125 CC1(CNC(=O)O1)CN Z5851683025 [0,1,0,1,0,0|2,0,0]=4 1010 B9R1.125 CC1(COC(=O)N1)CO Z1255419299 [0,1,0,1,0,0|2,0,0]=4 1011 B9R1.127 CCC1(CC1C(=O)O)C Z979743330 [0,1,0,1,0,0|1,0,0]=3 1012 B9R1.133 O=S1(=O)CCC(C1)CO Z57161971 [0,1,0,1,0,0|1,0,1]=4 1013 B9R1.161 CC(C)C1CC1C(=O)O Z975823938 [0,1,0,1,0,0|1,0,0]=3 1014 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Z1955831192 [0,1,0,1,0,0|0,0,2]=4 1015 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Z1198723936 [0,1,0,1,0,0|0,0,1]=3 1016 B9R1.161 O=C(O)[C@@H]1C[C@H]1[N+](=O)[O-] Z2309898871 [0,1,0,1,0,0|1,0,1]=4 1017 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Z1955918485 [0,1,0,1,0,0|0,0,1]=3 1018 B9R1.166 CC1(CCC1C(=O)O)C Z1205494629 [0,1,0,1,0,0|1,0,0]=3 1019 B9R1.166 CC1(CNC1C(=O)O)C Z2690814529 [0,1,0,1,0,0|2,0,0]=4 1020 B9R1.170 O=C(O)CC1CC1(Cl)Cl Z1262533734 [0,1,0,1,0,0|1,0,0]=3 1021 B9R1.170 O=C([O-])CC1CC1(F)F Z2887893930 [0,1,0,1,0,0|1,0,1]=4 1022 B9R2.20 O=C1NC[C@H]2[C@@H]1CC2 Z3445405198 [0,0,0,2,0,0|2,0,0]=4 1023 B9R2.33 O=C1NC2CCC2O1 Z1203735217 [0,0,0,2,0,0|2,0,0]=4 1024 B9R2.39 O=C1NC2CCC1C2 Z1238833321 [0,0,0,2,0,0|2,0,0]=4 1025 B9R2.39 OC1CC2CCC1O2 Z1255395449 [0,0,0,2,0,0|1,0,1]=4 1026 B9R2.21 O=C1CC2CC2CN1 Z2941655402 [0,0,0,2,0,0|2,0,0]=4 1027 B9R2.7 O=C1NC2C1CCC2 Z1250169685 [0,0,0,2,0,0|2,0,0]=4 1028 B9R2.7 O=C1N[C@H]2[C@@H]1CCC2 Z2307158154 [0,0,0,2,0,0|2,0,0]=4 1029 B9R2.138 O=C1CC2(C1)CCC2 Z1398615561 [0,0,0,2,0,0|2,0,0]=4 1030 B9R2.138 O=C1CC2(N1)CCC2 Z1268152818 [0,0,0,2,0,0|2,0,0]=4 1031 B9R2.2 C1COC(C1)C2CO2 Z1504674596 [0,0,0,2,0,0|1,0,1]=4