0 B6R0.6 C#CCCCCN Z1431002697 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 C=CCCCCN Z1198160046 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.6 C=CCCN=C=S Z1255360772 [0,0,0,0,0,0|2,1,1]=4 3 B6R0.6 C=CCNCC=C Z104474454 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.6 C=CCNCCO Z137800938 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.6 C=CCOCCN Z976678988 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.6 C=CCSCC=C Z1208219429 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.6 C=CCSCCN Z1262237162 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.6 CCCCCCO Z104473568 [0,0,0,0,0,0|1,0,3]=4 9 B6R0.6 CNCCCCN Z2939606540 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.6 CNCCCCO Z839096662 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.6 CNCCCOC Z137847932 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.6 CNCCCSC Z102766932 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.6 COCCCC#N Z295205400 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.6 COCCCCO Z431605254 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.6 COCCN=C=O Z1094719556 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.6 N#CCCCCN Z823279224 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.6 N#CCCCCO Z431952150 [0,0,0,0,0,0|1,0,3]=4 18 B6R0.6 NCCCCCF Z3524160733 [0,0,0,0,0,0|2,0,2]=4 19 B6R0.6 NCCCCCN Z951173830 [0,0,0,0,0,0|2,0,2]=4 20 B6R0.6 O=CCCCC=O Z57127529 [0,0,0,0,0,0|0,0,0]=0 21 B5R0.2 C#CCCCN Z1945700461 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.2 C/C=C/CCN Z1268152372 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.2 C=CCCC#N Z1219746591 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.2 C=CCCCN Z993058434 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.2 C=CCNCC Z2044769224 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.2 CCCCC=O Z104472992 [1,0,0,0,0,0|0,0,1]=2 27 B5R0.2 CCCCCN Z104472246 [1,0,0,0,0,0|1,0,2]=4 28 B5R0.2 CNCCCO Z104756980 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.2 COCCCO Z431517702 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.2 N#CCCCN Z1649677743 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.2 N#CCCCO Z385458622 [1,0,0,0,0,0|1,0,2]=4 32 B5R0.2 NCCCCF Z2177031126 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.2 NCCCCN Z104472592 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.1 C=CCSSCC=C Z1255415451 [0,1,0,0,0,0|3,0,0]=4 35 B7R0.3 CN(C=O)CCC#N Z1258520788 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.4 C#CCCNC(=O)C Z1188389866 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.4 C#CCCNC(=O)N Z1188370499 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.4 C#CCCOC(=O)N Z1509495134 [0,1,0,0,0,0|2,0,1]=4 39 B7R0.4 C#CCNCC(=O)O Z2513337624 [0,1,0,0,0,0|2,0,1]=4 40 B7R0.4 C#CCOCC(=O)O Z362807246 [0,1,0,0,0,0|2,0,1]=4 41 B7R0.4 C#CCSCC(=O)O Z149151642 [0,1,0,0,0,0|2,0,1]=4 42 B7R0.4 C=CCCCC(=O)O Z1205493561 [0,1,0,0,0,0|1,0,0]=2 43 B7R0.4 C=CCNCC(=O)O Z803145546 [0,1,0,0,0,0|2,0,0]=3 44 B7R0.4 C=CCOCC(=O)O Z362807794 [0,1,0,0,0,0|2,0,0]=3 45 B7R0.4 C=CCSCC(=O)O Z149151274 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.4 CC#CCCC(=O)O Z1205493674 [0,1,0,0,0,0|1,0,2]=4 47 B7R0.4 CC(=O)NCCCN Z295405102 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.4 CC(=O)NCCCO Z353570744 [0,1,0,0,0,0|1,0,2]=4 49 B7R0.4 CCCCCC(=N)N Z3490473907 [0,1,0,0,0,0|2,0,1]=4 50 B7R0.4 CCCCCC(=O)O Z104503532 [0,1,0,0,0,0|1,0,1]=3 51 B7R0.4 CCCCOC(=O)N Z104476286 [0,1,0,0,0,0|2,0,1]=4 52 B7R0.4 CCCNCC(=O)N Z2211231296 [0,1,0,0,0,0|2,0,1]=4 53 B7R0.4 CCCNCC(=O)O Z744582718 [0,1,0,0,0,0|2,0,1]=4 54 B7R0.4 CCCOCC(=O)O Z406677750 [0,1,0,0,0,0|2,0,1]=4 55 B7R0.4 CCCSCC(=O)C Z447929234 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.4 CCCSCC(=O)O Z228425458 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.4 CCNCCC(=O)N Z2681234913 [0,1,0,0,0,0|2,0,1]=4 58 B7R0.4 CCNCCC(=O)O Z1869802098 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.4 CCOCCC(=O)O Z316258938 [0,1,0,0,0,0|2,0,1]=4 60 B7R0.4 CCSCCC(=O)O Z197206046 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.4 CNCCCC(=O)O Z57043473 [0,1,0,0,0,0|2,0,0]=3 62 B7R0.4 CNCCNC(=O)C Z1456777974 [0,1,0,0,0,0|3,0,0]=4 63 B7R0.4 COCCCC(=N)N Z1267882086 [0,1,0,0,0,0|3,0,0]=4 64 B7R0.4 COCCCC(=O)C Z406376722 [0,1,0,0,0,0|2,0,0]=3 65 B7R0.4 COCCCC(=O)O Z316258912 [0,1,0,0,0,0|2,0,0]=3 66 B7R0.4 COCCNC(=O)N Z56904572 [0,1,0,0,0,0|3,0,0]=4 67 B7R0.4 CSCCCC(=O)O Z54602911 [0,1,0,0,0,0|2,0,0]=3 68 B7R0.4 N#CCCCC(=O)O Z1198152304 [0,1,0,0,0,0|1,0,1]=3 69 B7R0.4 N#CCSCC(=O)O Z19691779 [0,1,0,0,0,0|2,0,1]=4 70 B7R0.4 NC(=O)COCCO Z1198148880 [0,1,0,0,0,0|1,0,2]=4 71 B7R0.4 NC(=O)NCCCO Z198194722 [0,1,0,0,0,0|1,0,2]=4 72 B7R0.4 NCCCCC(=O)N Z1639630947 [0,1,0,0,0,0|1,0,1]=3 73 B7R0.4 NCCCCC(=O)O Z271111992 [0,1,0,0,0,0|1,0,1]=3 74 B7R0.4 NCCCOC(=O)N Z3337481796 [0,1,0,0,0,0|2,0,1]=4 75 B7R0.4 NCCNCC(=O)O Z2692249907 [0,1,0,0,0,0|2,0,1]=4 76 B7R0.4 NCCOCC(=O)N Z1428158847 [0,1,0,0,0,0|2,0,1]=4 77 B7R0.4 NCCOCC(=O)O Z1650039500 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.4 NCCSCC(=O)O Z1381287295 [0,1,0,0,0,0|2,0,1]=4 79 B7R0.4 O=C(O)CCCCBr Z104479696 [0,1,0,0,0,0|1,0,1]=3 80 B7R0.4 O=C(O)CCCCS Z808230828 [0,1,0,0,0,0|0,1,1]=3 81 B7R0.4 O=C(O)CNCCO Z425411352 [0,1,0,0,0,0|1,0,2]=4 82 B7R0.4 O=C([O-])CCCCO Z2335631573 [0,1,0,0,0,0|0,0,2]=3 83 B7R0.4 O=C([O-])COCCO Z1744715804 [0,1,0,0,0,0|1,0,2]=4 84 B7R1.1 NCC1C=CCC1 Z2768196818 [0,0,0,1,0,0|2,0,1]=4 85 B7R1.1 O=CC1=CCCC1 Z1190318866 [0,0,0,1,0,0|1,0,2]=4 86 B7R1.1 O=CC1CC=CC1 Z1504676872 [0,0,0,1,0,0|1,0,1]=3 87 B7R1.1 O=CC1CCCC1 Z875036058 [0,0,0,1,0,0|1,0,1]=3 88 B7R1.1 O=CC1CCOC1 Z199056102 [0,0,0,1,0,0|2,0,0]=3 89 B7R1.1 O=CC1CCSC1 Z1201681645 [0,0,0,1,0,0|2,0,0]=3 90 B7R1.1 O=CN1CCCC1 Z1255394997 [0,0,0,1,0,0|2,0,1]=4 91 B7R1.3 NC1=NCCCC1 Z1723418848 [0,0,0,1,0,0|2,0,1]=4 92 B7R1.3 NC1C=CCCC1 Z1203579654 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.3 O=C1C=CCCC1 Z295197140 [0,0,0,1,0,0|1,0,0]=2 94 B7R1.3 O=C1C=CCCO1 Z1255402681 [0,0,0,1,0,0|2,0,0]=3 95 B7R1.3 O=C1CCCCC1 Z104474256 [0,0,0,1,0,0|1,0,1]=3 96 B7R1.3 O=C1CCCCN1 Z168817684 [0,0,0,1,0,0|1,0,1]=3 97 B7R1.3 O=C1CCCCO1 Z432085120 [0,0,0,1,0,0|0,0,2]=3 98 B7R1.3 O=C1CCCCS1 Z1726147018 [0,0,0,1,0,0|0,1,1]=3 99 B7R1.3 O=C1CCCNC1 Z3063726909 [0,0,0,1,0,0|2,0,0]=3 100 B7R1.3 O=C1CCCNN1 Z1416174508 [0,0,0,1,0,0|2,0,0]=3 101 B7R1.3 O=C1CCCSC1 Z979714552 [0,0,0,1,0,0|2,0,0]=3 102 B7R1.3 O=C1CCNCC1 Z1741959513 [0,0,0,1,0,0|2,0,1]=4 103 B7R1.3 O=C1CNCCN1 Z56968535 [0,0,0,1,0,0|2,0,1]=4 104 B7R1.3 O=C1CSCCN1 Z337709368 [0,0,0,1,0,0|2,0,1]=4 105 B7R1.3 O=C1CSCSC1 Z1251333166 [0,0,0,1,0,0|3,0,0]=4 106 B7R1.3 O=C1NCCCN1 Z1203730774 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.3 O=C1NCCCO1 Z1198312172 [0,0,0,1,0,0|1,0,2]=4 108 B7R1.3 O=C1NNCCO1 Z2732442016 [0,0,0,1,0,0|3,0,0]=4 109 B7R1.4 C=C1CCOC1=O Z1255438435 [0,0,0,1,0,0|2,0,0]=3 110 B7R1.4 CC1=C(CNC1)C Z1203817906 [0,0,0,1,0,0|3,0,0]=4 111 B7R1.4 CC1CCCC1=O Z813018382 [0,0,0,1,0,0|1,0,1]=3 112 B7R1.4 CC1CCNC1=O Z1198147219 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.4 CC1NCCC1=O Z2733314209 [0,0,0,1,0,0|2,0,1]=4 114 B7R1.4 CN1CCCC1=O Z104478382 [0,0,0,1,0,0|2,0,0]=3 115 B7R1.4 CN1CCNC1=O Z336079928 [0,0,0,1,0,0|3,0,0]=4 116 B7R1.4 CN1CNCC1=O Z1601562352 [0,0,0,1,0,0|3,0,0]=4 117 B7R1.4 NC1CCOC1=O Z56921763 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.4 NC1CCSC1=O Z56922158 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.4 NN1CCOC1=O Z1198147716 [0,0,0,1,0,0|3,0,0]=4 120 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [0,0,0,1,0,0|2,0,1]=4 121 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [0,0,0,1,0,0|2,0,1]=4 122 B7R1.4 O=C1CCCC1Cl Z104492966 [0,0,0,1,0,0|1,0,1]=3 123 B7R1.4 O=C1NCCC1F Z1203745843 [0,0,0,1,0,0|2,0,1]=4 124 B7R1.6 O=CCC1CCC1 Z1198184444 [0,0,0,1,0,0|1,0,1]=3 125 B7R1.6 O=CCC1COC1 Z1511884358 [0,0,0,1,0,0|2,0,0]=3 126 B7R1.7 C=CCCC1CO1 Z1255485443 [0,0,0,1,0,0|1,0,2]=4 127 B7R1.7 O=CCCC1CC1 Z1233208002 [0,0,0,1,0,0|1,0,1]=3 128 B7R1.9 CCC1CC1C=O Z1513989944 [0,0,0,1,0,0|1,0,1]=3 129 B7R1.9 CC[C@@H]1C[C@H]1C=O Z3300760890 [0,0,0,1,0,0|1,0,1]=3 130 B7R1.9 N#CC1CC1C=O Z1511894712 [0,0,0,1,0,0|1,0,1]=3 131 B4R0.2 CCCC#N Z238878246 [2,0,0,0,0,0|1,0,1]=4 132 B4R0.2 CCCCN Z104474314 [2,0,0,0,0,0|1,0,1]=4 133 B4R0.2 CCCCO Z104473488 [2,0,0,0,0,0|0,0,2]=4 134 B4R0.2 CCCNN Z415728048 [2,0,0,0,0,0|2,0,0]=4 135 B4R0.2 NCCCN Z104478068 [2,0,0,0,0,0|2,0,0]=4 136 B4R0.2 NCCCO Z56771034 [2,0,0,0,0,0|1,0,1]=4 137 B6R0.1 C=CCC(N)CC Z1981870426 [1,1,0,0,0,0|1,0,1]=4 138 B6R0.1 C=CCC(N)CO Z1815149150 [1,1,0,0,0,0|1,0,1]=4 139 B6R0.1 C=CCC(O)CC Z808662120 [1,1,0,0,0,0|1,0,1]=4 140 B6R0.4 C#CCCC(=O)O Z295890062 [1,1,0,0,0,0|0,0,2]=4 141 B6R0.4 C=CCCC(=O)C Z406376894 [1,1,0,0,0,0|0,0,1]=3 142 B6R0.4 C=CCCC(=O)O Z995028722 [1,1,0,0,0,0|0,0,1]=3 143 B6R0.4 C=CCCC(C)N Z3681295487 [1,1,0,0,0,0|1,0,1]=4 144 B6R0.4 C=CCNC(=O)C Z32064466 [1,1,0,0,0,0|1,0,1]=4 145 B6R0.4 C=CCNC(=O)N Z56904662 [1,1,0,0,0,0|1,0,1]=4 146 B6R0.4 CC(=O)CCC#N Z1251352415 [1,1,0,0,0,0|1,0,1]=4 147 B6R0.4 CC(=O)NCCCl Z57983106 [1,1,0,0,0,0|2,0,0]=4 148 B6R0.4 CC(=O)OCCN Z1973465551 [1,1,0,0,0,0|2,0,0]=4 149 B6R0.4 CCCCC(=N)N Z1723418909 [1,1,0,0,0,0|1,0,1]=4 150 B6R0.4 CCCCC(=O)N Z104476278 [1,1,0,0,0,0|0,0,1]=3 151 B6R0.4 CCCCC(=O)O Z104473312 [1,1,0,0,0,0|0,0,1]=3 152 B6R0.4 CCCNC(=O)C Z33030314 [1,1,0,0,0,0|1,0,1]=4 153 B6R0.4 CCCOC(=O)N Z1198148877 [1,1,0,0,0,0|1,0,1]=4 154 B6R0.4 CCNCC(=O)N Z1459435506 [1,1,0,0,0,0|1,0,1]=4 155 B6R0.4 CCNCC(=O)O Z744593094 [1,1,0,0,0,0|1,0,1]=4 156 B6R0.4 CCOCC(=O)O Z104495232 [1,1,0,0,0,0|1,0,1]=4 157 B6R0.4 CNCCC(=O)C Z1536943318 [1,1,0,0,0,0|1,0,1]=4 158 B6R0.4 COCCC(=O)C Z362119682 [1,1,0,0,0,0|1,0,1]=4 159 B6R0.4 COCCC(=O)N Z394696458 [1,1,0,0,0,0|1,0,1]=4 160 B6R0.4 COCCC(=O)O Z285184634 [1,1,0,0,0,0|1,0,1]=4 161 B6R0.4 CSCCC(=O)O Z54719251 [1,1,0,0,0,0|1,0,1]=4 162 B6R0.4 N#CCCC(=O)N Z57160408 [1,1,0,0,0,0|1,0,1]=4 163 B6R0.4 NC(=O)CCCO Z1203578394 [1,1,0,0,0,0|0,0,1]=3 164 B6R0.4 NC(=O)NCCF Z1203582184 [1,1,0,0,0,0|2,0,0]=4 165 B6R0.4 NC(=O)OCCO Z1198158440 [1,1,0,0,0,0|1,0,1]=4 166 B6R0.4 NCCCC(=O)N Z398513418 [1,1,0,0,0,0|1,0,0]=3 167 B6R0.4 NCCCC(=O)O Z104475620 [1,1,0,0,0,0|1,0,0]=3 168 B6R0.4 NCCCS(=O)O Z1203579399 [1,1,0,0,0,0|2,0,0]=4 169 B6R0.4 NCCNC(=O)N Z1268152381 [1,1,0,0,0,0|2,0,0]=4 170 B6R0.4 NCCOC(=O)N Z1587257433 [1,1,0,0,0,0|2,0,0]=4 171 B6R0.4 O=C(O)CCCS Z147642510 [1,1,0,0,0,0|0,1,0]=3 172 B8R0.6 C=CCOCC(=O)OC Z362807786 [0,2,0,0,0,0|2,0,0]=4 173 B8R0.6 CCCCCC(=O)NO Z59181978 [0,2,0,0,0,0|1,0,1]=4 174 B8R0.6 CNC(=O)CCCCN Z5282835224 [0,2,0,0,0,0|1,0,1]=4 175 B8R0.6 CNCCCC(=O)NC Z1457934887 [0,2,0,0,0,0|2,0,0]=4 176 B8R0.6 CNCCCC(=O)OC Z415636552 [0,2,0,0,0,0|2,0,0]=4 177 B8R0.6 COC(=O)CCCC#N Z415715362 [0,2,0,0,0,0|1,0,1]=4 178 B8R0.6 COC(=O)CCCCN Z854942764 [0,2,0,0,0,0|1,0,1]=4 179 B8R0.7 C#CCCNCC(=O)O Z4916843541 [0,2,0,0,0,0|1,0,1]=4 180 B8R0.7 C#CCCOCC(=O)O Z1205655947 [0,2,0,0,0,0|1,0,1]=4 181 B8R0.7 C#CCOCCC(=O)O Z362807240 [0,2,0,0,0,0|1,0,1]=4 182 B8R0.7 C=CCCOCC(=O)O Z362807886 [0,2,0,0,0,0|1,0,0]=3 183 B8R0.7 C=CCNCCC(=O)O Z3388124649 [0,2,0,0,0,0|1,0,0]=3 184 B8R0.7 CC#CCCCC(=O)O Z1205494323 [0,2,0,0,0,0|1,0,1]=4 185 B8R0.7 CC(=O)CCCCC#N Z2350907379 [0,2,0,0,0,0|1,0,1]=4 186 B8R0.7 CC(=O)NCCCCN Z600498842 [0,2,0,0,0,0|1,0,1]=4 187 B8R0.7 CCCCCCC(=O)O Z104474412 [0,2,0,0,0,0|1,0,1]=4 188 B8R0.7 CCCCNCC(=O)N Z398513412 [0,2,0,0,0,0|1,0,1]=4 189 B8R0.7 CCCCOCC(=O)O Z409190912 [0,2,0,0,0,0|1,0,1]=4 190 B8R0.7 CCCCSCC(=O)O Z239951532 [0,2,0,0,0,0|1,0,1]=4 191 B8R0.7 CCCNCCC(=O)O Z2944330072 [0,2,0,0,0,0|1,0,1]=4 192 B8R0.7 CCNCCCC(=O)O Z2937339976 [0,2,0,0,0,0|1,0,1]=4 193 B8R0.7 CCOCCCC(=O)O Z316258950 [0,2,0,0,0,0|1,0,1]=4 194 B8R0.7 CNCCCCC(=O)O Z3034937142 [0,2,0,0,0,0|1,0,1]=4 195 B8R0.7 CNCCCNC(=O)C Z1269638441 [0,2,0,0,0,0|2,0,0]=4 196 B8R0.7 COCCCCC(=O)O Z362633826 [0,2,0,0,0,0|0,0,2]=4 197 B8R0.7 COCCCNC(=O)N Z56979275 [0,2,0,0,0,0|2,0,0]=4 198 B8R0.7 COCCCOC(=O)C Z1123440688 [0,2,0,0,0,0|2,0,0]=4 199 B8R0.7 COCCNCC(=O)N Z1262250392 [0,2,0,0,0,0|2,0,0]=4 200 B8R0.7 COCCNCC(=O)O Z1276446903 [0,2,0,0,0,0|2,0,0]=4 201 B8R0.7 COCCOCC(=O)C Z447894346 [0,2,0,0,0,0|2,0,0]=4 202 B8R0.7 COCCOCC(=O)O Z104477918 [0,2,0,0,0,0|2,0,0]=4 203 B8R0.7 COCCSCC(=O)O Z167837764 [0,2,0,0,0,0|2,0,0]=4 204 B8R0.7 CSCCCCC(=O)O Z732206636 [0,2,0,0,0,0|0,1,1]=4 205 B8R0.7 CSCCNCC(=O)O Z2512524162 [0,2,0,0,0,0|2,0,0]=4 206 B8R0.7 N#CCCSCC(=O)O Z1205494587 [0,2,0,0,0,0|1,0,1]=4 207 B8R0.7 NCCCCCC(=O)O Z1272730910 [0,2,0,0,0,0|1,0,1]=4 208 B8R0.7 NCCCOCC(=O)O Z3178895188 [0,2,0,0,0,0|1,0,1]=4 209 B8R0.7 NCCOCCC(=O)O Z1262546494 [0,2,0,0,0,0|1,0,1]=4 210 B8R0.7 O=C(O)CCCCCBr Z104477716 [0,2,0,0,0,0|1,0,1]=4 211 B8R0.7 O=C(O)CCCCCF Z1205494157 [0,2,0,0,0,0|1,0,1]=4 212 B8R0.7 O=C(O)CCNCCO Z53116574 [0,2,0,0,0,0|0,0,2]=4 213 B8R0.7 O=C([O-])CNCCCO Z5147896273 [0,2,0,0,0,0|0,0,2]=4 214 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [0,2,0,0,0,0|1,0,1]=4 215 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [0,2,0,0,0,0|1,0,0]=3 216 B8R0.8 C=CCOC(C)C(=O)O Z362807816 [0,2,0,0,0,0|2,0,0]=4 217 B8R0.8 CCCCC(C)C(=O)C Z727719632 [0,2,0,0,0,0|1,0,1]=4 218 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,2,0,0,0,0|1,0,1]=4 219 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,2,0,0,0,0|1,0,1]=4 220 B8R0.8 CCCCC(O)C(=O)O Z803065156 [0,2,0,0,0,0|1,0,1]=4 221 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,2,0,0,0,0|1,0,1]=4 222 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,2,0,0,0,0|1,0,1]=4 223 B8R0.8 COCCC(C)C(=O)O Z756390554 [0,2,0,0,0,0|2,0,0]=4 224 B8R0.8 COCCC(N)C(=O)O Z317025018 [0,2,0,0,0,0|2,0,0]=4 225 B8R0.8 CSCCC(N)C(=O)O Z57127440 [0,2,0,0,0,0|2,0,0]=4 226 B8R0.8 CSCCC(O)C(=O)O Z788000926 [0,2,0,0,0,0|2,0,0]=4 227 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [0,2,0,0,0,0|2,0,0]=4 228 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [0,2,0,0,0,0|2,0,0]=4 229 B8R0.8 N#CCCC(N)C(=O)N Z4876440061 [0,2,0,0,0,0|1,0,1]=4 230 B8R0.8 NCCCC(N)C(=O)O Z104476736 [0,2,0,0,0,0|1,0,1]=4 231 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [0,2,0,0,0,0|1,0,1]=4 232 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [0,2,0,0,0,0|1,0,1]=4 233 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [0,2,0,0,0,0|2,0,0]=4 234 B8R0.8 O=C([O-])C(O)CCCO Z2510259022 [0,2,0,0,0,0|0,0,2]=4 235 B8R0.9 C=CC(N)CCC(=O)O Z1255431434 [0,2,0,0,0,0|1,0,0]=3 236 B8R0.9 CC(CN)CCC(=O)O Z1739254655 [0,2,0,0,0,0|1,0,1]=4 237 B8R0.9 CCC(C)CCC(=O)C Z955111260 [0,2,0,0,0,0|1,0,1]=4 238 B8R0.9 CCC(C)CCC(=O)O Z955111774 [0,2,0,0,0,0|1,0,1]=4 239 B8R0.9 COC(C)CCC(=O)O Z963595334 [0,2,0,0,0,0|2,0,0]=4 240 B8R0.9 CSC(C)CCC(=O)O Z963595804 [0,2,0,0,0,0|2,0,0]=4 241 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [0,2,0,0,0,0|1,0,1]=4 242 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [0,2,0,0,0,0|1,0,1]=4 243 B8R0.5 CCCC(C)CC(=O)O Z352782810 [0,2,0,0,0,0|1,0,1]=4 244 B8R0.5 CCCC(O)CC(=O)O Z982132146 [0,2,0,0,0,0|1,0,1]=4 245 B8R0.5 COCC(C)CC(=O)O Z992443864 [0,2,0,0,0,0|2,0,0]=4 246 B8R0.21 C=CCCCS(=O)(=O)N Z1217214778 [0,2,0,0,0,0|2,0,0]=4 247 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [0,2,0,0,0,0|1,0,1]=4 248 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [0,2,0,0,0,0|0,0,0]=2 249 B8R0.28 CC(=O)CSCC(=O)[O-] Z1359429555 [0,2,0,0,0,0|1,0,0]=3 250 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [0,2,0,0,0,0|1,0,0]=3 251 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [0,2,0,0,0,0|1,0,0]=3 252 B8R0.28 CC(C)CCCC(=O)O Z426022098 [0,2,0,0,0,0|1,0,1]=4 253 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [0,2,0,0,0,0|1,0,1]=4 254 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [0,2,0,0,0,0|0,0,2]=4 255 B8R0.28 N=C(N)NCCC(=O)O Z959165114 [0,2,0,0,0,0|2,0,0]=4 256 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [0,2,0,0,0,0|0,0,0]=2 257 B8R0.28 NC(=O)CNCC(=O)N Z162774608 [0,2,0,0,0,0|1,0,0]=3 258 B8R0.28 NC(=O)CNCC(=O)O Z4658099947 [0,2,0,0,0,0|1,0,0]=3 259 B8R0.28 NC(=O)CSCC(=O)O Z19691778 [0,2,0,0,0,0|1,0,0]=3 260 B8R0.28 NC(=O)NCCC(=O)O Z56347556 [0,2,0,0,0,0|1,0,0]=3 261 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [0,2,0,0,0,0|0,0,0]=2 262 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [0,2,0,0,0,0|1,0,0]=3 263 B8R0.28 O=C(O)COCC(=O)O Z57965384 [0,2,0,0,0,0|1,0,0]=3 264 B8R0.28 O=C(O)CSCC(=O)O Z104478584 [0,2,0,0,0,0|1,0,0]=3 265 B6R1.1 C1=CCCCC1 Z104474726 [1,0,0,1,0,0|1,0,1]=4 266 B6R1.2 CC1=CCNC1 Z1203734447 [1,0,0,1,0,0|2,0,0]=4 267 B6R1.2 N=C1CCCN1 Z204007506 [1,0,0,1,0,0|2,0,0]=4 268 B6R1.2 NC1C=CCC1 Z2679312470 [1,0,0,1,0,0|2,0,0]=4 269 B6R1.2 N[C@@H]1C=CCC1 Z1203585093 [1,0,0,1,0,0|2,0,0]=4 270 B6R1.2 O=C1C=CCO1 Z1219048777 [1,0,0,1,0,0|1,0,1]=4 271 B6R1.2 O=C1CCCN1 Z104472846 [1,0,0,1,0,0|1,0,0]=3 272 B6R1.2 O=C1CCNC1 Z1741976513 [1,0,0,1,0,0|1,0,1]=4 273 B6R1.2 O=C1CCNN1 Z2935001239 [1,0,0,1,0,0|2,0,0]=4 274 B6R1.2 O=C1CCSC1 Z104495638 [1,0,0,1,0,0|1,0,1]=4 275 B6R1.2 O=C1NCCN1 Z104494954 [1,0,0,1,0,0|2,0,0]=4 276 B6R1.2 O=C1NCCO1 Z104474784 [1,0,0,1,0,0|1,0,1]=4 277 B6R1.2 O=C1NCCS1 Z55928860 [1,0,0,1,0,0|1,1,0]=4 278 B6R1.2 O=C1OCCO1 Z1172235744 [1,0,0,1,0,0|1,0,1]=4 279 B6R1.2 O=S1CCCC1 Z278052312 [1,0,0,1,0,0|1,0,1]=4 280 B6R1.2 OC1C=CCC1 Z1255485846 [1,0,0,1,0,0|1,0,1]=4 281 B6R1.3 O=CCC1CC1 Z905066058 [1,0,0,1,0,0|0,0,1]=3 282 B6R1.6 O=CC1CCC1 Z1079442452 [1,0,0,1,0,0|0,0,1]=3 283 B6R1.8 C=C1CC1CN Z3454021936 [1,0,0,1,0,0|2,0,0]=4 284 B6R1.8 CC1CC1C=O Z1079442440 [1,0,0,1,0,0|0,0,1]=3 285 B6R1.8 C[C@H]1C[C@@H]1C=O Z1511765506 [1,0,0,1,0,0|0,0,1]=3 286 B6R1.8 C[C@H]1C[C@H]1C=O Z1511760860 [1,0,0,1,0,0|0,0,1]=3 287 B6R1.8 O=CC1CC1Cl Z1262480603 [1,0,0,1,0,0|1,0,0]=3 288 B6R1.8 O=C[C@@H]1C[C@H]1Cl Z4541248007 [1,0,0,1,0,0|1,0,0]=3 289 B8R1.2 O=CC1=CCCCC1 Z1190318865 [0,1,0,1,0,0|1,0,1]=4 290 B8R1.2 O=CC1=COCCC1 Z432415080 [0,1,0,1,0,0|2,0,0]=4 291 B8R1.2 O=CC1CC=CCC1 Z57936862 [0,1,0,1,0,0|1,0,0]=3 292 B8R1.2 O=CC1CCC=CO1 Z600389890 [0,1,0,1,0,0|0,0,1]=3 293 B8R1.2 O=CC1CCCCC1 Z104478974 [0,1,0,1,0,0|1,0,1]=4 294 B8R1.2 O=CC1CCCCO1 Z1079442734 [0,1,0,1,0,0|0,0,2]=4 295 B8R1.2 O=CC1CCCOC1 Z1065877672 [0,1,0,1,0,0|0,0,2]=4 296 B8R1.2 O=CC1CCCSC1 Z1255489365 [0,1,0,1,0,0|0,1,1]=4 297 B8R1.2 O=CC1CCOCC1 Z979759508 [0,1,0,1,0,0|1,0,1]=4 298 B8R1.2 O=CC1CCSCC1 Z1201622265 [0,1,0,1,0,0|1,0,1]=4 299 B8R1.2 O=CN1CCCCC1 Z1255415437 [0,1,0,1,0,0|1,0,1]=4 300 B8R1.5 CC1=C(CCNC1)Br Z4428787505 [0,1,0,1,0,0|2,0,0]=4 301 B8R1.5 CC1=C(CNCC1)C Z1966489842 [0,1,0,1,0,0|2,0,0]=4 302 B8R1.5 CC1CCCCC1=O Z104477192 [0,1,0,1,0,0|1,0,1]=4 303 B8R1.5 CC1CCCNC1=O Z1013766916 [0,1,0,1,0,0|1,0,1]=4 304 B8R1.5 CC1CNCCC1=O Z1741969235 [0,1,0,1,0,0|1,0,1]=4 305 B8R1.5 CC1COCCC1=O Z1192338803 [0,1,0,1,0,0|1,0,1]=4 306 B8R1.5 CC1SCCCC1=O Z1359849054 [0,1,0,1,0,0|1,0,1]=4 307 B8R1.5 CN1CCNCC1=O Z1250100764 [0,1,0,1,0,0|2,0,0]=4 308 B8R1.5 ClC1=C(CNCC1)Cl Z1572021773 [0,1,0,1,0,0|2,0,0]=4 309 B8R1.5 NC1CCCCC1=O Z2186882796 [0,1,0,1,0,0|1,0,1]=4 310 B8R1.5 NC1CCCNC1=O Z993991168 [0,1,0,1,0,0|1,0,1]=4 311 B8R1.5 NN1CCCCC1=O Z976663668 [0,1,0,1,0,0|1,0,1]=4 312 B8R1.5 O=C1CCCCC1=O Z90122041 [0,1,0,1,0,0|0,0,0]=2 313 B8R1.5 O=C1CCCCC1Cl Z94598693 [0,1,0,1,0,0|1,0,1]=4 314 B8R1.5 O=C1NCCCC1F Z1203749514 [0,1,0,1,0,0|1,0,1]=4 315 B8R1.8 O=CCC1CCCC1 Z993017732 [0,1,0,1,0,0|1,0,1]=4 316 B8R1.8 O=CCC1CCCO1 Z1183458964 [0,1,0,1,0,0|0,0,2]=4 317 B8R1.8 O=CCC1CCOC1 Z1138844345 [0,1,0,1,0,0|0,0,2]=4 318 B8R1.9 C[C@@H]1C[C@@H]1CCC=O Z4130582680 [0,1,0,1,0,0|1,0,1]=4 319 B8R1.10 O=CCCC1CCC1 Z1717769279 [0,1,0,1,0,0|1,0,1]=4 320 B8R1.10 O=CCCC1CCO1 Z2327124310 [0,1,0,1,0,0|0,0,2]=4 321 B8R1.11 C=CN1CCCC1=O Z104475034 [0,1,0,1,0,0|1,0,0]=3 322 B8R1.11 CC1CCCC1C=O Z1268606470 [0,1,0,1,0,0|1,0,1]=4 323 B8R1.11 CC1OCCC1C=O Z1342837783 [0,1,0,1,0,0|1,0,1]=4 324 B8R1.11 CCC1CCCC1=O Z813018310 [0,1,0,1,0,0|1,0,1]=4 325 B8R1.11 CCC1CCNC1=O Z1203732458 [0,1,0,1,0,0|1,0,1]=4 326 B8R1.11 CCN1CCCC1=O Z1255438420 [0,1,0,1,0,0|1,0,1]=4 327 B8R1.11 N#CC1=C(CCC1)N Z221425808 [0,1,0,1,0,0|2,0,0]=4 328 B8R1.11 N#CC1CCCC1=O Z951172672 [0,1,0,1,0,0|1,0,1]=4 329 B8R1.11 O=C1CCCN1CO Z56755633 [0,1,0,1,0,0|0,0,2]=4 330 B8R1.11 O=C1NCCC1CO Z1203746842 [0,1,0,1,0,0|0,0,2]=4 331 B8R1.13 O=C1CCN1CCO Z1897885187 [0,1,0,1,0,0|0,0,2]=4 332 B8R1.22 O=C1CCCCCC1 Z104473100 [0,1,0,1,0,0|1,0,1]=4 333 B8R1.22 O=C1CCNCCN1 Z119989554 [0,1,0,1,0,0|1,0,1]=4 334 B8R1.22 O=C1CCOCCN1 Z821098578 [0,1,0,1,0,0|1,0,1]=4 335 B8R1.22 O=C1CCSCCN1 Z1198315286 [0,1,0,1,0,0|1,0,1]=4 336 B8R1.22 O=C1CNCCCN1 Z2756332573 [0,1,0,1,0,0|1,0,1]=4 337 B8R1.22 O=C1COCCCN1 Z1203733065 [0,1,0,1,0,0|1,0,1]=4 338 B8R1.36 O=CCCCC1CC1 Z1511869605 [0,1,0,1,0,0|1,0,1]=4 339 B8R1.1 CC1CCC(C1)C=O Z1268606446 [0,1,0,1,0,0|1,0,1]=4 340 B8R1.1 CCC1CCC(=O)N1 Z1203731077 [0,1,0,1,0,0|1,0,1]=4 341 B8R1.1 NCC1CCC(=O)N1 Z1171481666 [0,1,0,1,0,0|1,0,1]=4 342 B8R1.1 NCC1CCC(=O)O1 Z1262632907 [0,1,0,1,0,0|1,0,1]=4 343 B8R1.1 O=C1CCC(N1)CO Z235344363 [0,1,0,1,0,0|0,0,2]=4 344 B8R1.1 O=C1CC[C@H](N1)CO Z235344345 [0,1,0,1,0,0|0,0,2]=4 345 B8R1.3 CC1CCC(=O)CC1 Z57073963 [0,1,0,1,0,0|1,0,1]=4 346 B8R1.3 CC1CCC(=O)NC1 Z969194082 [0,1,0,1,0,0|1,0,1]=4 347 B8R1.3 NC1CCC(=O)CC1 Z1198169628 [0,1,0,1,0,0|1,0,1]=4 348 B8R1.3 NC1CCC(=O)NC1 Z992717028 [0,1,0,1,0,0|1,0,1]=4 349 B8R1.38 CC(C=O)C1CCC1 Z1511780485 [0,1,0,1,0,0|1,0,1]=4 350 B8R1.41 CC1(CC1)CCC=O Z1511890142 [0,1,0,1,0,0|1,0,1]=4 351 B8R1.47 CCC1CC(C1)C=O Z3243131887 [0,1,0,1,0,0|1,0,1]=4 352 B8R1.47 COC1CC(C1)C=O Z1880960307 [0,1,0,1,0,0|2,0,0]=4 353 B8R1.50 CC1=C(C(=O)CC1)O Z1483987834 [0,1,0,1,0,0|0,0,2]=4 354 B8R1.52 CC1(CCCC1)C=O Z1255466724 [0,1,0,1,0,0|1,0,1]=4 355 B8R1.52 CC1(CCCO1)C=O Z1389061333 [0,1,0,1,0,0|0,0,2]=4 356 B8R1.52 CC1(CCCS1)C=O Z1455206494 [0,1,0,1,0,0|0,1,1]=4 357 B8R1.52 CC1(CCOC1)C=O Z1511835334 [0,1,0,1,0,0|2,0,0]=4 358 B8R1.52 O=CC1(CCCC1)Br Z1511865834 [0,1,0,1,0,0|1,0,1]=4 359 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [0,1,0,1,0,0|1,0,0]=3 360 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [0,1,0,1,0,0|2,0,0]=4 361 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,1,0,1,0,0|1,0,1]=4 362 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [0,1,0,1,0,0|1,0,1]=4 363 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,1,0,1,0,0|1,0,1]=4 364 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [0,1,0,1,0,0|2,0,0]=4 365 B8R1.4 NC1=CC(=O)CCC1 Z56899207 [0,1,0,1,0,0|1,0,0]=3 366 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,1,0,1,0,0|1,0,1]=4 367 B8R1.4 O=C1CCCC(=O)N1 Z424792856 [0,1,0,1,0,0|0,0,0]=2 368 B8R1.4 O=C1CCNC(=O)N1 Z57033885 [0,1,0,1,0,0|1,0,0]=3 369 B8R1.4 O=C1CCSC(=O)N1 Z56871611 [0,1,0,1,0,0|1,0,0]=3 370 B8R1.4 O=C1COCC(=O)N1 Z802811418 [0,1,0,1,0,0|1,0,0]=3 371 B8R1.4 O=C1COCC(=O)O1 Z85923414 [0,1,0,1,0,0|1,0,0]=3 372 B8R1.4 O=C1CSCC(=O)C1 Z1255373195 [0,1,0,1,0,0|1,0,0]=3 373 B8R1.4 O=C1NCNC(=O)N1 Z147642476 [0,1,0,1,0,0|2,0,0]=4 374 B8R1.6 C=CCC1CC(=O)N1 Z1203730933 [0,1,0,1,0,0|1,0,0]=3 375 B8R1.6 CCCC1CC(=O)N1 Z1198168176 [0,1,0,1,0,0|1,0,1]=4 376 B8R1.6 NCCC1CC(=O)C1 Z2681245722 [0,1,0,1,0,0|1,0,1]=4 377 B8R1.7 CC(=O)C1CCCC1 Z513735352 [0,1,0,1,0,0|1,0,1]=4 378 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [0,1,0,1,0,0|2,0,0]=4 379 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [0,1,0,1,0,0|2,0,0]=4 380 B8R1.7 NC(=O)C1CCCC1 Z33546657 [0,1,0,1,0,0|1,0,1]=4 381 B8R1.7 NC(=O)C1CCCN1 Z56945990 [0,1,0,1,0,0|1,0,1]=4 382 B8R1.7 NC(=O)C1CCCO1 Z33545380 [0,1,0,1,0,0|0,0,2]=4 383 B8R1.7 NC(=O)C1CCNC1 Z1198394223 [0,1,0,1,0,0|2,0,0]=4 384 B8R1.7 NC(=O)C1CCOC1 Z802555342 [0,1,0,1,0,0|2,0,0]=4 385 B8R1.7 O=C(O)C1C=CCN1 Z2902023058 [0,1,0,1,0,0|2,0,0]=4 386 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [0,1,0,1,0,0|1,0,1]=4 387 B8R1.7 O=C(O)C1CCCC1 Z104476116 [0,1,0,1,0,0|1,0,1]=4 388 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,1,0,1,0,0|1,0,1]=4 389 B8R1.7 O=C(O)C1CCCO1 Z104486102 [0,1,0,1,0,0|0,0,2]=4 390 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [0,1,0,1,0,0|0,1,1]=4 391 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [0,1,0,1,0,0|2,0,0]=4 392 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [0,1,0,1,0,0|1,0,1]=4 393 B8R1.7 O=C(O)C1CCOC1 Z381356480 [0,1,0,1,0,0|2,0,0]=4 394 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [0,1,0,1,0,0|2,0,0]=4 395 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,1,0,1,0,0|1,0,1]=4 396 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,1,0,1,0,0|1,0,1]=4 397 B8R1.19 CC1(CCCC1=O)C Z1238544226 [0,1,0,1,0,0|1,0,1]=4 398 B8R1.27 O=CCC1CC1(Cl)Cl Z1511776966 [0,1,0,1,0,0|1,0,1]=4 399 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [0,1,0,1,0,0|1,0,1]=4 400 B8R1.31 O=C(O)C1=C(CC1)Cl Z3358630818 [0,1,0,1,0,0|1,0,1]=4 401 B8R1.31 O=C(O)C1CCC1F Z2035936452 [0,1,0,1,0,0|1,0,1]=4 402 B8R1.34 CC(=O)CC1CCC1 Z1263592386 [0,1,0,1,0,0|1,0,1]=4 403 B8R1.34 NC(=O)CC1CNC1 Z1459435453 [0,1,0,1,0,0|2,0,0]=4 404 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [0,1,0,1,0,0|1,0,1]=4 405 B8R1.35 CC(=O)CCC1CC1 Z1233207768 [0,1,0,1,0,0|1,0,1]=4 406 B8R1.43 CC(=O)C1CC1C#N Z1514030424 [0,1,0,1,0,0|1,0,1]=4 407 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [0,1,0,1,0,0|1,0,1]=4 408 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O Z2310010920 [0,1,0,1,0,0|1,0,1]=4 409 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O Z2310010923 [0,1,0,1,0,0|1,0,1]=4 410 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Z3718352401 [0,1,0,1,0,0|1,0,1]=4 411 B8R1.43 O=C([O-])[C@@H]1C[C@H]1CO Z3717749370 [0,1,0,1,0,0|0,0,2]=4 412 B8R1.43 O=C[C@@H]1C[C@H]1C(=O)O Z3664810585 [0,1,0,1,0,0|0,0,0]=2 413 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Z2944291920 [0,1,0,1,0,0|0,0,0]=2 414 B8R1.43 O=C[C@H]1C[C@H]1C(F)F Z2935136323 [0,1,0,1,0,0|1,0,1]=4 415 B8R1.48 O=CC1CCC1(F)F Z3827377084 [0,1,0,1,0,0|1,0,1]=4 416 B8R1.18 CN1CC(CC1=O)O Z1201051099 [0,1,0,1,0,0|2,0,0]=4 417 B8R1.18 NC1CC(=O)N(C1)O Z3806274909 [0,1,0,1,0,0|1,0,1]=4 418 B8R1.66 CC1(COC1)CC=O Z1861999813 [0,1,0,1,0,0|2,0,0]=4 419 B8R2.5 O=C1N[C@H]2[C@@H]1C=C2 Z3678520407 [0,0,0,2,0,0|2,0,0]=4 420 B8R2.5 O=C1N[C@H]2[C@@H]1CC2 Z3977166567 [0,0,0,2,0,0|1,0,1]=4 421 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 Z2871939424 [0,0,0,2,0,0|1,0,1]=4 422 B8R2.20 O=CC1CC12CC2 Z1511749648 [0,0,0,2,0,0|1,0,1]=4