0 B5R0.2 C#CCCC#N Z295890044 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.2 C#CCCCN Z1945700461 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.2 C#CCCNC Z3270794267 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.2 C#CCNCC Z815264056 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.2 C/C=C/CCN Z1268152372 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.2 C/C=C/OCC Z281777810 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.2 C=C/C=C/CN Z3270208113 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.2 C=CCCC#N Z1219746591 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.2 C=CCCCN Z993058434 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.2 C=CCN=C=S Z104472178 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.2 C=CCNCC Z2044769224 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.2 CC#CCCO Z1033337288 [0,0,0,0,0,0|0,0,4]=4 12 B5R0.2 CC#CCNC Z2679312432 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.2 CCC#CCN Z4935566672 [0,0,0,0,0,0|1,0,3]=4 14 B5R0.2 CCCCC=O Z104472992 [0,0,0,0,0,0|0,0,0]=0 15 B5R0.2 CCCCCN Z104472246 [0,0,0,0,0,0|1,0,1]=2 16 B5R0.2 CCCNCC Z138446288 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.2 CCNCC#N Z235583784 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.2 CCNCCF Z1198305484 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.2 CCNCCO Z1258992395 [0,0,0,0,0,0|1,0,2]=3 20 B5R0.2 CCNOCC Z223690220 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.2 CCOCC#N Z295205412 [0,0,0,0,0,0|2,0,1]=3 22 B5R0.2 CCOCCN Z271005962 [0,0,0,0,0,0|2,0,1]=3 23 B5R0.2 CCOCCO Z104473122 [0,0,0,0,0,0|1,0,2]=3 24 B5R0.2 CCSCCN Z3061111063 [0,0,0,0,0,0|2,0,1]=3 25 B5R0.2 CNCCCO Z104756980 [0,0,0,0,0,0|1,0,2]=3 26 B5R0.2 CNCCOC Z1259162131 [0,0,0,0,0,0|3,0,0]=3 27 B5R0.2 CNCCSC Z1398461959 [0,0,0,0,0,0|3,0,0]=3 28 B5R0.2 COCCC#N Z277467992 [0,0,0,0,0,0|2,0,1]=3 29 B5R0.2 COCCCO Z431517702 [0,0,0,0,0,0|1,0,2]=3 30 B5R0.2 COCCOC Z104473014 [0,0,0,0,0,0|3,0,0]=3 31 B5R0.2 N#CCCCN Z1649677743 [0,0,0,0,0,0|2,0,1]=3 32 B5R0.2 N#CCCCO Z385458622 [0,0,0,0,0,0|2,0,1]=3 33 B5R0.2 NCCC#CBr Z4777809731 [0,0,0,0,0,0|2,0,2]=4 34 B5R0.2 NCCCCF Z2177031126 [0,0,0,0,0,0|2,0,1]=3 35 B5R0.2 NCCCCN Z104472592 [0,0,0,0,0,0|2,0,1]=3 36 B4R0.2 C#CCCN Z1267881669 [1,0,0,0,0,0|1,0,2]=4 37 B4R0.2 C=NCC#N Z425450894 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.2 CC#CCN Z1713595498 [1,0,0,0,0,0|1,0,2]=4 39 B4R0.2 CCCC#N Z238878246 [1,0,0,0,0,0|1,0,1]=3 40 B4R0.2 CCCCN Z104474314 [1,0,0,0,0,0|1,0,0]=2 41 B4R0.2 CCCCO Z104473488 [1,0,0,0,0,0|0,0,1]=2 42 B4R0.2 CCCNN Z415728048 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.2 CNCC#N Z1262250834 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.2 COCC#N Z86023357 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.2 COCCO Z104473522 [1,0,0,0,0,0|1,0,1]=3 46 B4R0.2 CSCCO Z149154880 [1,0,0,0,0,0|1,0,1]=3 47 B4R0.2 N#CCCN Z1895741700 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.2 NC/C=C/Cl Z2941400887 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.2 NCCCN Z104478068 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.2 NCCCO Z56771034 [1,0,0,0,0,0|1,0,1]=3 51 B6R0.1 C#CCC(N)CC Z969111798 [0,1,0,0,0,0|1,0,1]=3 52 B6R0.1 C#CCC(O)CN Z2491498074 [0,1,0,0,0,0|2,0,1]=4 53 B6R0.1 C=CCC(N)CC Z1981870426 [0,1,0,0,0,0|1,0,0]=2 54 B6R0.1 C=CCC(N)CO Z1815149150 [0,1,0,0,0,0|2,0,0]=3 55 B6R0.1 C=CCC(O)CC Z808662120 [0,1,0,0,0,0|1,0,0]=2 56 B6R0.1 CC(CN)CCO Z1203581915 [0,1,0,0,0,0|1,0,2]=4 57 B6R0.1 CC(CO)CCN Z5410631465 [0,1,0,0,0,0|1,0,2]=4 58 B6R0.1 CCC(=O)COC Z825742020 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.1 CCC(C)CNC Z1266854907 [0,1,0,0,0,0|2,0,0]=3 60 B6R0.1 CCC(C)N=C=S Z323038722 [0,1,0,0,0,0|1,1,1]=4 61 B6R0.1 CCC(N)CCO Z1258578227 [0,1,0,0,0,0|0,0,2]=3 62 B6R0.1 CCC(N)COC Z825742260 [0,1,0,0,0,0|2,0,0]=3 63 B6R0.1 CCC(O)CCN Z406342052 [0,1,0,0,0,0|1,0,1]=3 64 B6R0.1 CCC(O)CCO Z1198157972 [0,1,0,0,0,0|0,0,2]=3 65 B6R0.1 CCCC(=O)CN Z1203579017 [0,1,0,0,0,0|1,0,2]=4 66 B6R0.1 CCCC(=O)NO Z59181937 [0,1,0,0,0,0|1,0,2]=4 67 B6R0.1 CCCC(C)C#N Z415654768 [0,1,0,0,0,0|1,0,1]=3 68 B6R0.1 CCCC(C)NC Z394693580 [0,1,0,0,0,0|2,0,0]=3 69 B6R0.1 CCCC(N)C#N Z398513448 [0,1,0,0,0,0|1,0,1]=3 70 B6R0.1 CCCC(N)CC Z1642389626 [0,1,0,0,0,0|1,0,1]=3 71 B6R0.1 CCCC(N)CN Z425861040 [0,1,0,0,0,0|1,0,1]=3 72 B6R0.1 CCCC(O)CN Z419084742 [0,1,0,0,0,0|1,0,1]=3 73 B6R0.1 CCCN(C)N=O Z1198147496 [0,1,0,0,0,0|2,0,0]=3 74 B6R0.1 CCNC(C)C#N Z2526709253 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.1 CCNC(C)CC Z2509351098 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.1 CCOC(C)CN Z844631802 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.1 CCS(=O)CCN Z1266854910 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.1 CCSC(C)C#N Z45225009 [0,1,0,0,0,0|2,0,1]=4 79 B6R0.1 CNC(C)CC#N Z666295372 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.1 CNC(C)CCO Z1198266877 [0,1,0,0,0,0|1,0,2]=4 81 B6R0.1 CNC(C)COC Z815264298 [0,1,0,0,0,0|3,0,0]=4 82 B6R0.1 CNC(C)CSC Z995116552 [0,1,0,0,0,0|3,0,0]=4 83 B6R0.1 CNCC(C)OC Z2065788390 [0,1,0,0,0,0|3,0,0]=4 84 B6R0.1 CNC[C@H](O)CO Z600533638 [0,1,0,0,0,0|1,0,2]=4 85 B6R0.1 COC(C)CC#N Z847151020 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.1 COC(C)CCN Z802903932 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.1 COCC(C)CO Z1192375999 [0,1,0,0,0,0|1,0,2]=4 88 B6R0.1 COCC(N)C#N Z1601562385 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.1 COCC(N)CN Z1203580237 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.1 COCC(N)CO Z1945984156 [0,1,0,0,0,0|1,0,2]=4 91 B6R0.1 COCC(O)CN Z271097108 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.1 CSC(C)CCN Z732208464 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.1 CSC(C)CCO Z1262258908 [0,1,0,0,0,0|1,0,2]=4 94 B6R0.1 CSCC(C)CN Z732208434 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.1 CSCC(C)CO Z1270310211 [0,1,0,0,0,0|1,0,2]=4 96 B6R0.1 CSCC(O)CO Z1126770422 [0,1,0,0,0,0|1,0,2]=4 97 B6R0.1 NCC[C@H](F)CN Z4607150940 [0,1,0,0,0,0|2,0,1]=4 98 B6R0.4 C#CCCC(=O)O Z295890062 [0,1,0,0,0,0|0,0,2]=3 99 B6R0.4 C#CCCC(C)O Z854048672 [0,1,0,0,0,0|1,0,1]=3 100 B6R0.4 C#CCNC(=O)C Z220957448 [0,1,0,0,0,0|1,0,2]=4 101 B6R0.4 C#CCNC(=O)N Z198194920 [0,1,0,0,0,0|1,0,2]=4 102 B6R0.4 C#CCNC(C)C Z2855995857 [0,1,0,0,0,0|2,0,1]=4 103 B6R0.4 C#CCOC(=O)N Z1203578973 [0,1,0,0,0,0|1,0,2]=4 104 B6R0.4 C=CCCC(=O)C Z406376894 [0,1,0,0,0,0|0,0,2]=3 105 B6R0.4 C=CCCC(=O)O Z995028722 [0,1,0,0,0,0|0,0,2]=3 106 B6R0.4 C=CCCC(C)N Z3681295487 [0,1,0,0,0,0|1,0,0]=2 107 B6R0.4 C=CCNC(=O)C Z32064466 [0,1,0,0,0,0|1,0,2]=4 108 B6R0.4 C=CCNC(=O)N Z56904662 [0,1,0,0,0,0|1,0,2]=4 109 B6R0.4 C=CCNC(C)C Z607822478 [0,1,0,0,0,0|2,0,0]=3 110 B6R0.4 C=COCC(C)C Z916978390 [0,1,0,0,0,0|2,0,0]=3 111 B6R0.4 CC#CCC(C)N Z975788700 [0,1,0,0,0,0|1,0,2]=4 112 B6R0.4 CC(=O)CCC#N Z1251352415 [0,1,0,0,0,0|1,0,1]=3 113 B6R0.4 CC(=O)NCCCl Z57983106 [0,1,0,0,0,0|2,0,0]=3 114 B6R0.4 CC(=O)OCCN Z1973465551 [0,1,0,0,0,0|2,0,0]=3 115 B6R0.4 CC(C)CCCN Z992716898 [0,1,0,0,0,0|1,0,1]=3 116 B6R0.4 CC(C)CN=C=S Z87001659 [0,1,0,0,0,0|1,1,1]=4 117 B6R0.4 CC(C)NCC#N Z224190250 [0,1,0,0,0,0|2,0,1]=4 118 B6R0.4 CC(C)NCCN Z3375885739 [0,1,0,0,0,0|2,0,1]=4 119 B6R0.4 CC(C)NCCO Z137800940 [0,1,0,0,0,0|1,0,2]=4 120 B6R0.4 CC(C)OCC#N Z295206482 [0,1,0,0,0,0|2,0,1]=4 121 B6R0.4 CC(C)OCCN Z1688198421 [0,1,0,0,0,0|2,0,1]=4 122 B6R0.4 CC(C)OCCO Z104478444 [0,1,0,0,0,0|1,0,2]=4 123 B6R0.4 CC(C)SCCN Z2092369402 [0,1,0,0,0,0|2,0,1]=4 124 B6R0.4 CC(N)CCCN Z2230911100 [0,1,0,0,0,0|1,0,1]=3 125 B6R0.4 CC(N)CCCO Z1203578676 [0,1,0,0,0,0|0,0,2]=3 126 B6R0.4 CC(O)CCCN Z1198178891 [0,1,0,0,0,0|1,0,1]=3 127 B6R0.4 CC/C=C/C(=O)O Z2311573931 [0,1,0,0,0,0|0,0,2]=3 128 B6R0.4 CCC#CC(=O)O Z1205493735 [0,1,0,0,0,0|0,0,2]=3 129 B6R0.4 CCCCB(O)O Z1147227739 [0,1,0,0,0,0|1,0,1]=3 130 B6R0.4 CCCCC(=N)N Z1723418909 [0,1,0,0,0,0|1,0,0]=2 131 B6R0.4 CCCCC(=O)N Z104476278 [0,1,0,0,0,0|0,0,0]=1 132 B6R0.4 CCCCC(=O)O Z104473312 [0,1,0,0,0,0|0,0,0]=1 133 B6R0.4 CCCCC(C)N Z3300506318 [0,1,0,0,0,0|1,0,1]=3 134 B6R0.4 CCCNC(=O)C Z33030314 [0,1,0,0,0,0|1,0,0]=2 135 B6R0.4 CCCNC(=S)N Z56930715 [0,1,0,0,0,0|1,1,0]=3 136 B6R0.4 CCCOC(=O)N Z1198148877 [0,1,0,0,0,0|1,0,0]=2 137 B6R0.4 CCNCC(=O)N Z1459435506 [0,1,0,0,0,0|1,0,0]=2 138 B6R0.4 CCNCC(=O)O Z744593094 [0,1,0,0,0,0|1,0,0]=2 139 B6R0.4 CCNCC(C)C Z380844664 [0,1,0,0,0,0|2,0,1]=4 140 B6R0.4 CCNCC(C)O Z138692768 [0,1,0,0,0,0|1,0,2]=4 141 B6R0.4 CCNCC(F)F Z1691545150 [0,1,0,0,0,0|2,0,1]=4 142 B6R0.4 CCOCC(=O)O Z104495232 [0,1,0,0,0,0|1,0,0]=2 143 B6R0.4 CCOCC(C)N Z839575202 [0,1,0,0,0,0|2,0,1]=4 144 B6R0.4 CCSCC(C)N Z1203641186 [0,1,0,0,0,0|2,0,1]=4 145 B6R0.4 CN(C)CCC#N Z57980324 [0,1,0,0,0,0|2,0,1]=4 146 B6R0.4 CNCCC(=O)C Z1536943318 [0,1,0,0,0,0|1,0,0]=2 147 B6R0.4 CNCCC(C)C Z607822512 [0,1,0,0,0,0|2,0,0]=3 148 B6R0.4 CNCCC(C)O Z1203731868 [0,1,0,0,0,0|2,0,0]=3 149 B6R0.4 CNCCN(C)C Z138123106 [0,1,0,0,0,0|3,0,0]=4 150 B6R0.4 COCCC(=N)N Z1592042674 [0,1,0,0,0,0|2,0,0]=3 151 B6R0.4 COCCC(=O)C Z362119682 [0,1,0,0,0,0|1,0,0]=2 152 B6R0.4 COCCC(=O)N Z394696458 [0,1,0,0,0,0|1,0,0]=2 153 B6R0.4 COCCC(=O)O Z285184634 [0,1,0,0,0,0|1,0,0]=2 154 B6R0.4 COCCC(C)N Z361881180 [0,1,0,0,0,0|2,0,0]=3 155 B6R0.4 COCCC(C)O Z818738042 [0,1,0,0,0,0|2,0,0]=3 156 B6R0.4 COCCN(C)C Z5121096537 [0,1,0,0,0,0|3,0,0]=4 157 B6R0.4 CS/C=C/C(=O)O Z1868430572 [0,1,0,0,0,0|1,0,2]=4 158 B6R0.4 CSCCC(=N)N Z1266823407 [0,1,0,0,0,0|2,0,0]=3 159 B6R0.4 CSCCC(=O)O Z54719251 [0,1,0,0,0,0|1,0,0]=2 160 B6R0.4 N#CCCC(=N)N Z3771050569 [0,1,0,0,0,0|2,0,1]=4 161 B6R0.4 N#CCCC(=O)N Z57160408 [0,1,0,0,0,0|1,0,1]=3 162 B6R0.4 N#CCNC(=O)N Z600498544 [0,1,0,0,0,0|2,0,1]=4 163 B6R0.4 N=C(N)NCCN Z2235813444 [0,1,0,0,0,0|3,0,0]=4 164 B6R0.4 N=C(N)NCCO Z911465228 [0,1,0,0,0,0|3,0,0]=4 165 B6R0.4 N=C(N)SCCO Z57111959 [0,1,0,0,0,0|3,0,0]=4 166 B6R0.4 NC(=O)CCCO Z1203578394 [0,1,0,0,0,0|1,0,0]=2 167 B6R0.4 NC(=O)NCCF Z1203582184 [0,1,0,0,0,0|2,0,0]=3 168 B6R0.4 NC(=O)OCCO Z1198158440 [0,1,0,0,0,0|2,0,0]=3 169 B6R0.4 NCCCC(=O)N Z398513418 [0,1,0,0,0,0|1,0,0]=2 170 B6R0.4 NCCCC(=O)O Z104475620 [0,1,0,0,0,0|1,0,0]=2 171 B6R0.4 NCCCC(F)F Z1198165810 [0,1,0,0,0,0|2,0,1]=4 172 B6R0.4 NCCCS(=O)O Z1203579399 [0,1,0,0,0,0|2,0,0]=3 173 B6R0.4 NCCNC(=O)N Z1268152381 [0,1,0,0,0,0|2,0,0]=3 174 B6R0.4 NCCOC(=O)N Z1587257433 [0,1,0,0,0,0|2,0,0]=3 175 B6R0.4 O=C(O)/C=C/CO Z3178016098 [0,1,0,0,0,0|1,0,2]=4 176 B6R0.4 O=C(O)C#CCO Z1198169479 [0,1,0,0,0,0|1,0,2]=4 177 B6R0.4 O=C(O)CCCS Z147642510 [0,1,0,0,0,0|1,0,0]=2 178 B6R0.6 C#CCCCCN Z1431002697 [0,1,0,0,0,0|1,0,1]=3 179 B6R0.6 C#CCNCCC Z815264308 [0,1,0,0,0,0|1,0,1]=3 180 B6R0.6 C#CCNCCF Z3325124018 [0,1,0,0,0,0|2,0,1]=4 181 B6R0.6 C#CCSCCN Z1250132324 [0,1,0,0,0,0|2,0,1]=4 182 B6R0.6 C=C/C=C/CCN Z2786180930 [0,1,0,0,0,0|1,0,2]=4 183 B6R0.6 C=CCCCCN Z1198160046 [0,1,0,0,0,0|1,0,0]=2 184 B6R0.6 C=CCCN=C=S Z1255360772 [0,1,0,0,0,0|2,0,1]=4 185 B6R0.6 C=CCNCC=C Z104474454 [0,1,0,0,0,0|1,0,2]=4 186 B6R0.6 C=CCNCCO Z137800938 [0,1,0,0,0,0|2,0,0]=3 187 B6R0.6 C=CCOCCN Z976678988 [0,1,0,0,0,0|2,0,0]=3 188 B6R0.6 C=CCSCC=C Z1208219429 [0,1,0,0,0,0|1,0,2]=4 189 B6R0.6 C=CCSCCN Z1262237162 [0,1,0,0,0,0|2,0,0]=3 190 B6R0.6 CCC#CCCN Z1203585246 [0,1,0,0,0,0|1,0,2]=4 191 B6R0.6 CCCCCCO Z104473568 [0,1,0,0,0,0|0,0,2]=3 192 B6R0.6 CCCCN=C=S Z104473876 [0,1,0,0,0,0|0,1,1]=3 193 B6R0.6 CCCNCC#N Z235653524 [0,1,0,0,0,0|1,0,1]=3 194 B6R0.6 CCCOCCN Z4449042604 [0,1,0,0,0,0|1,0,1]=3 195 B6R0.6 CCNCCCF Z1203824341 [0,1,0,0,0,0|1,0,1]=3 196 B6R0.6 CCNCCCO Z138139914 [0,1,0,0,0,0|0,0,2]=3 197 B6R0.6 CCNCCSC Z2412193591 [0,1,0,0,0,0|2,0,0]=3 198 B6R0.6 CCOCCCO Z1080358490 [0,1,0,0,0,0|0,0,2]=3 199 B6R0.6 CNCCCCN Z2939606540 [0,1,0,0,0,0|1,0,1]=3 200 B6R0.6 CNCCCCO Z839096662 [0,1,0,0,0,0|0,0,2]=3 201 B6R0.6 CNCCCOC Z137847932 [0,1,0,0,0,0|2,0,0]=3 202 B6R0.6 CNCCCSC Z102766932 [0,1,0,0,0,0|2,0,0]=3 203 B6R0.6 COCCCC#N Z295205400 [0,1,0,0,0,0|1,0,1]=3 204 B6R0.6 COCCCCO Z431605254 [0,1,0,0,0,0|0,0,2]=3 205 B6R0.6 COCCN=C=O Z1094719556 [0,1,0,0,0,0|1,0,1]=3 206 B6R0.6 CONCCCN Z2492414217 [0,1,0,0,0,0|2,0,1]=4 207 B6R0.6 ClCCNCCCl Z57388616 [0,1,0,0,0,0|2,0,1]=4 208 B6R0.6 FCCNCCF Z4880681336 [0,1,0,0,0,0|2,0,1]=4 209 B6R0.6 N#CCCCCN Z823279224 [0,1,0,0,0,0|1,0,1]=3 210 B6R0.6 N#CCCCCO Z431952150 [0,1,0,0,0,0|1,0,1]=3 211 B6R0.6 NCCCCCF Z3524160733 [0,1,0,0,0,0|1,0,1]=3 212 B6R0.6 NCCCCCN Z951173830 [0,1,0,0,0,0|1,0,1]=3 213 B6R0.6 NCCNCCN Z104475186 [0,1,0,0,0,0|2,0,1]=4 214 B6R0.6 O=CCCCC=O Z57127529 [0,1,0,0,0,0|0,0,1]=2 215 B6R0.6 OCCNCCO Z104475196 [0,1,0,0,0,0|1,0,2]=4 216 B6R1.1 C1=CCCCC1 Z104474726 [0,0,0,1,0,0|1,0,0]=2 217 B6R1.1 C1=CCNCC1 Z1623864216 [0,0,0,1,0,0|2,0,0]=3 218 B6R1.1 C1=CCONC1 Z1486018651 [0,0,0,1,0,0|3,0,0]=4 219 B6R1.1 C1=NCCCN1 Z1198163087 [0,0,0,1,0,0|2,0,0]=3 220 B6R1.1 C1CCONC1 Z1787355355 [0,0,0,1,0,0|1,0,1]=3 221 B6R1.1 C1CNCCN1 Z1245537944 [0,0,0,1,0,0|2,0,1]=4 222 B6R1.1 C1COCCN1 Z57127568 [0,0,0,1,0,0|1,0,2]=4 223 B6R1.1 C1CSCCN1 Z352252014 [0,0,0,1,0,0|1,1,1]=4 224 B6R1.2 C=C1CCNC1 Z3019986853 [0,0,0,1,0,0|2,0,0]=3 225 B6R1.2 C=C1CNOC1 Z3037884222 [0,0,0,1,0,0|3,0,0]=4 226 B6R1.2 CC1=CCNC1 Z1203734447 [0,0,0,1,0,0|2,0,1]=4 227 B6R1.2 CC1=NCCN1 Z204020260 [0,0,0,1,0,0|3,0,0]=4 228 B6R1.2 CC1=NCCS1 Z104480256 [0,0,0,1,0,0|3,0,0]=4 229 B6R1.2 CC1CCCN1 Z1274177652 [0,0,0,1,0,0|1,0,1]=3 230 B6R1.2 CC1CCNC1 Z729771722 [0,0,0,1,0,0|2,0,0]=3 231 B6R1.2 CC1CNNC1 Z4953319766 [0,0,0,1,0,0|3,0,0]=4 232 B6R1.2 FC1CCNC1 Z1139751347 [0,0,0,1,0,0|2,0,1]=4 233 B6R1.2 N=C1CCCN1 Z204007506 [0,0,0,1,0,0|2,0,0]=3 234 B6R1.2 NC1=NCCO1 Z336087916 [0,0,0,1,0,0|3,0,0]=4 235 B6R1.2 NC1=NNCC1 Z1569708704 [0,0,0,1,0,0|3,0,0]=4 236 B6R1.2 NC1C=CCC1 Z2679312470 [0,0,0,1,0,0|2,0,0]=3 237 B6R1.2 NC1CC=CC1 Z1416200863 [0,0,0,1,0,0|2,0,1]=4 238 B6R1.2 NC1CCOC1 Z802544198 [0,0,0,1,0,0|2,0,1]=4 239 B6R1.2 NC1CCSC1 Z1267885911 [0,0,0,1,0,0|2,0,1]=4 240 B6R1.2 N[C@@H]1C=CCC1 Z1203585093 [0,0,0,1,0,0|2,0,0]=3 241 B6R1.2 O=C1C=CCO1 Z1219048777 [0,0,0,1,0,0|1,0,2]=4 242 B6R1.2 O=C1CCCN1 Z104472846 [0,0,0,1,0,0|1,0,0]=2 243 B6R1.2 O=C1CCNC1 Z1741976513 [0,0,0,1,0,0|1,0,0]=2 244 B6R1.2 O=C1CCNN1 Z2935001239 [0,0,0,1,0,0|2,0,0]=3 245 B6R1.2 O=C1CCSC1 Z104495638 [0,0,0,1,0,0|1,0,0]=2 246 B6R1.2 O=C1NCCN1 Z104494954 [0,0,0,1,0,0|2,0,0]=3 247 B6R1.2 O=C1NCCO1 Z104474784 [0,0,0,1,0,0|2,0,0]=3 248 B6R1.2 O=C1NCCS1 Z55928860 [0,0,0,1,0,0|2,0,0]=3 249 B6R1.2 O=C1OCCO1 Z1172235744 [0,0,0,1,0,0|2,0,0]=3 250 B6R1.2 O=S1CCCC1 Z278052312 [0,0,0,1,0,0|1,0,0]=2 251 B6R1.2 OC1C=CCC1 Z1255485846 [0,0,0,1,0,0|2,0,0]=3 252 B6R1.2 OC1CCOC1 Z1124541349 [0,0,0,1,0,0|1,0,2]=4 253 B6R1.2 OC1CCSC1 Z335244836 [0,0,0,1,0,0|1,0,2]=4 254 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [0,0,0,1,0,0|1,0,2]=4 255 B6R1.2 O[C@H]1CCNC1 Z1263714116 [0,0,0,1,0,0|1,0,2]=4 256 B6R1.2 SC1=NCCN1 Z104497392 [0,0,0,1,0,0|2,1,0]=4 257 B6R1.3 ClCCC1CO1 Z1205657512 [0,0,0,1,0,0|1,0,2]=4 258 B6R1.3 NCCC1CC1 Z1267773823 [0,0,0,1,0,0|1,0,1]=3 259 B6R1.3 O=C=NC1CC1 Z316172632 [0,0,0,1,0,0|1,0,1]=3 260 B6R1.3 O=CCC1CC1 Z905066058 [0,0,0,1,0,0|0,0,0]=1 261 B6R1.3 OCCC1CC1 Z826525694 [0,0,0,1,0,0|0,0,2]=3 262 B6R1.4 CC1CCC1N Z2082999653 [0,0,0,1,0,0|1,0,1]=3 263 B6R1.6 CCC1CNC1 Z1203733931 [0,0,0,1,0,0|2,0,0]=3 264 B6R1.6 CNC1CCC1 Z1263820270 [0,0,0,1,0,0|2,0,0]=3 265 B6R1.6 COC1CNC1 Z1267773781 [0,0,0,1,0,0|3,0,0]=4 266 B6R1.6 N#CC1CCC1 Z406694072 [0,0,0,1,0,0|1,0,1]=3 267 B6R1.6 NCC1CCC1 Z381061564 [0,0,0,1,0,0|1,0,1]=3 268 B6R1.6 NCC1CNC1 Z1198274908 [0,0,0,1,0,0|2,0,1]=4 269 B6R1.6 O=CC1CCC1 Z1079442452 [0,0,0,1,0,0|0,0,0]=1 270 B6R1.8 C=C1CC1CN Z3454021936 [0,0,0,1,0,0|2,0,0]=3 271 B6R1.8 CC1CC1C#N Z1079178904 [0,0,0,1,0,0|1,0,1]=3 272 B6R1.8 CC1CC1C=O Z1079442440 [0,0,0,1,0,0|0,0,0]=1 273 B6R1.8 CC1CC1CN Z415636622 [0,0,0,1,0,0|1,0,1]=3 274 B6R1.8 CC1CC1CO Z397587430 [0,0,0,1,0,0|0,0,2]=3 275 B6R1.8 CC1OC1CCl Z1205657581 [0,0,0,1,0,0|2,0,1]=4 276 B6R1.8 C[C@H]1C[C@@H]1C=O Z1511765506 [0,0,0,1,0,0|0,0,0]=1 277 B6R1.8 C[C@H]1C[C@H]1C=O Z1511760860 [0,0,0,1,0,0|0,0,0]=1 278 B6R1.8 N[C@@H]1C[C@H]1CF Z3085640372 [0,0,0,1,0,0|2,0,1]=4 279 B6R1.8 O=CC1CC1Cl Z1262480603 [0,0,0,1,0,0|1,0,0]=2 280 B6R1.8 O=C[C@@H]1C[C@H]1Cl Z4541248007 [0,0,0,1,0,0|1,0,0]=2 281 B3R0.1 C=CCO Z104473976 [2,0,0,0,0,0|1,0,1]=4 282 B3R0.1 NCCF Z1966571823 [2,0,0,0,0,0|2,0,0]=4 283 B3R0.1 NCCN Z104473714 [2,0,0,0,0,0|2,0,0]=4 284 B3R0.1 NCCO Z104473700 [2,0,0,0,0,0|1,0,1]=4 285 B3R0.1 NCCS Z104474494 [2,0,0,0,0,0|1,1,0]=4 286 B3R0.1 OCCS Z104473584 [2,0,0,0,0,0|1,0,1]=4 287 B5R0.1 C#CCC(=O)O Z295890060 [1,1,0,0,0,0|0,0,2]=4 288 B5R0.1 C#CCC(C)N Z3490223481 [1,1,0,0,0,0|0,0,2]=4 289 B5R0.1 C#CCC(C)O Z969111576 [1,1,0,0,0,0|0,0,2]=4 290 B5R0.1 C/C=C/C(=O)O Z104476026 [1,1,0,0,0,0|0,0,2]=4 291 B5R0.1 C=C(C)CCN Z1203582475 [1,1,0,0,0,0|1,0,1]=4 292 B5R0.1 C=CCC(C)N Z1269638561 [1,1,0,0,0,0|0,0,1]=3 293 B5R0.1 CC#CC(=O)N Z1203579284 [1,1,0,0,0,0|0,0,2]=4 294 B5R0.1 CC(=O)CCO Z906206900 [1,1,0,0,0,0|1,0,0]=3 295 B5R0.1 CC(C)CC#N Z104473272 [1,1,0,0,0,0|1,0,1]=4 296 B5R0.1 CC(C)CCO Z104473558 [1,1,0,0,0,0|0,0,1]=3 297 B5R0.1 CC(C)NC=O Z1201617634 [1,1,0,0,0,0|1,0,0]=3 298 B5R0.1 CC(N)CC#N Z1267773800 [1,1,0,0,0,0|1,0,1]=4 299 B5R0.1 CC(N)CCO Z385458430 [1,1,0,0,0,0|0,0,1]=3 300 B5R0.1 CC(O)CC#N Z847151284 [1,1,0,0,0,0|1,0,1]=4 301 B5R0.1 CC(O)CCN Z802904114 [1,1,0,0,0,0|1,0,0]=3 302 B5R0.1 CC(O)CCO Z104473530 [1,1,0,0,0,0|0,0,1]=3 303 B5R0.1 CCCC(=N)N Z1198394172 [1,1,0,0,0,0|1,0,0]=3 304 B5R0.1 CCCC(=O)N Z33546461 [1,1,0,0,0,0|0,0,0]=2 305 B5R0.1 CCCC(=O)O Z104495380 [1,1,0,0,0,0|0,0,0]=2 306 B5R0.1 CCCC(C)N Z2417819590 [1,1,0,0,0,0|0,0,1]=3 307 B5R0.1 CCNC(=N)N Z2574931373 [1,1,0,0,0,0|2,0,0]=4 308 B5R0.1 CCOC(=N)N Z1741973543 [1,1,0,0,0,0|2,0,0]=4 309 B5R0.1 CCOC(=O)N Z33546369 [1,1,0,0,0,0|1,0,0]=3 310 B5R0.1 CCSC(=N)N Z1708092306 [1,1,0,0,0,0|2,0,0]=4 311 B5R0.1 CN(C)CCF Z5487577684 [1,1,0,0,0,0|2,0,0]=4 312 B5R0.1 CN(C)CCO Z104473552 [1,1,0,0,0,0|1,0,1]=4 313 B5R0.1 CN(C)CCS Z362025514 [1,1,0,0,0,0|1,1,0]=4 314 B5R0.1 CNCC(=O)N Z415678308 [1,1,0,0,0,0|1,0,0]=3 315 B5R0.1 CNCC(=O)O Z104480276 [1,1,0,0,0,0|1,0,0]=3 316 B5R0.1 CNCC(C)C Z951367674 [1,1,0,0,0,0|1,0,1]=4 317 B5R0.1 CNCC(C)N Z1413780485 [1,1,0,0,0,0|1,0,1]=4 318 B5R0.1 CNCC(C)O Z138692700 [1,1,0,0,0,0|1,0,1]=4 319 B5R0.1 CNCC(F)F Z1259341074 [1,1,0,0,0,0|2,0,0]=4 320 B5R0.1 COCC(=N)N Z1258620054 [1,1,0,0,0,0|2,0,0]=4 321 B5R0.1 COCC(=O)N Z33546778 [1,1,0,0,0,0|1,0,0]=3 322 B5R0.1 COCC(=O)O Z104477404 [1,1,0,0,0,0|1,0,0]=3 323 B5R0.1 COCC(C)O Z825742124 [1,1,0,0,0,0|1,0,1]=4 324 B5R0.1 COC[C@@H](C)N Z1270482298 [1,1,0,0,0,0|1,0,1]=4 325 B5R0.1 COC[C@H](C)N Z1270502316 [1,1,0,0,0,0|1,0,1]=4 326 B5R0.1 CS(=O)CCN Z802568576 [1,1,0,0,0,0|2,0,0]=4 327 B5R0.1 CSCC(=N)N Z1459934800 [1,1,0,0,0,0|2,0,0]=4 328 B5R0.1 CSCC(=O)N Z33545668 [1,1,0,0,0,0|1,0,0]=3 329 B5R0.1 CSCC(C)O Z732208306 [1,1,0,0,0,0|1,0,1]=4 330 B5R0.1 CSCS(=O)C Z1255438413 [1,1,0,0,0,0|2,0,0]=4 331 B5R0.1 C[C@@H](N)CCO Z1526453858 [1,1,0,0,0,0|0,0,1]=3 332 B5R0.1 C[C@@H](O)CCN Z1860991703 [1,1,0,0,0,0|1,0,0]=3 333 B5R0.1 N#CCC(=O)N Z56896153 [1,1,0,0,0,0|1,0,1]=4 334 B5R0.1 N#CCC(=O)O Z104476112 [1,1,0,0,0,0|1,0,1]=4 335 B5R0.1 N=C(N)CCO Z1198394167 [1,1,0,0,0,0|2,0,0]=4 336 B5R0.1 NC(=O)CCO Z431951940 [1,1,0,0,0,0|1,0,0]=3 337 B5R0.1 NCCC(=O)N Z415728050 [1,1,0,0,0,0|1,0,0]=3 338 B5R0.1 NCCC(=O)O Z57127544 [1,1,0,0,0,0|1,0,0]=3 339 B5R0.1 NOCC(=O)O Z90662171 [1,1,0,0,0,0|2,0,0]=4 340 B5R0.1 O=C(O)CCCl Z203045320 [1,1,0,0,0,0|1,0,0]=3 341 B5R0.1 O=C(O)CCS Z104474322 [1,1,0,0,0,0|1,0,0]=3 342 B5R0.1 O=C(O)CNO Z1205493750 [1,1,0,0,0,0|2,0,0]=4 343 B5R0.3 C=C(CC)CN Z2238934536 [1,1,0,0,0,0|1,0,1]=4 344 B5R0.3 C=CC(N)CO Z2146514374 [1,1,0,0,0,0|1,0,1]=4 345 B5R0.3 CC(CN)CN Z951173758 [1,1,0,0,0,0|2,0,0]=4 346 B5R0.3 CC(CN)CO Z406342068 [1,1,0,0,0,0|1,0,1]=4 347 B5R0.3 CC(CO)CS Z1262475362 [1,1,0,0,0,0|1,0,1]=4 348 B5R0.3 CCC(=O)CC Z104476878 [1,1,0,0,0,0|0,0,2]=4 349 B5R0.3 CCC(=O)CN Z1203579016 [1,1,0,0,0,0|1,0,1]=4 350 B5R0.3 CCC(C)CN Z2350903977 [1,1,0,0,0,0|1,0,0]=3 351 B5R0.3 CCC(C)NC Z594038230 [1,1,0,0,0,0|1,0,1]=4 352 B5R0.3 CCC(N)C#N Z445129502 [1,1,0,0,0,0|1,0,1]=4 353 B5R0.3 CCC(N)CN Z1263714131 [1,1,0,0,0,0|1,0,0]=3 354 B5R0.3 CCC(N)CO Z104474862 [1,1,0,0,0,0|0,0,1]=3 355 B5R0.3 CCC(O)C#N Z419078094 [1,1,0,0,0,0|1,0,1]=4 356 B5R0.3 CCC(O)CN Z419084746 [1,1,0,0,0,0|1,0,0]=3 357 B5R0.3 CCC(O)CO Z600450538 [1,1,0,0,0,0|0,0,1]=3 358 B5R0.3 CCN(C)C=O Z1258520870 [1,1,0,0,0,0|1,0,0]=3 359 B5R0.3 CCN(C)N=O Z1198147516 [1,1,0,0,0,0|2,0,0]=4 360 B5R0.3 CC[C@@H](N)C#N Z1203638467 [1,1,0,0,0,0|1,0,1]=4 361 B5R0.3 CC[C@@H](N)CO Z1203162359 [1,1,0,0,0,0|0,0,1]=3 362 B5R0.3 CC[C@H](N)CO Z1203162358 [1,1,0,0,0,0|0,0,1]=3 363 B5R0.3 CNC(C)CN Z941154208 [1,1,0,0,0,0|2,0,0]=4 364 B5R0.3 COC(C)CN Z1795817756 [1,1,0,0,0,0|2,0,0]=4 365 B5R0.3 COC(C)CO Z1198150719 [1,1,0,0,0,0|1,0,1]=4 366 B5R0.3 CSC(C)CN Z844632970 [1,1,0,0,0,0|2,0,0]=4 367 B5R0.3 CSC(C)CO Z1273053291 [1,1,0,0,0,0|1,0,1]=4 368 B5R0.3 NC(CO)CO Z1203577940 [1,1,0,0,0,0|1,0,1]=4 369 B5R0.3 NCC(F)CN Z2733320873 [1,1,0,0,0,0|2,0,0]=4 370 B5R0.3 NCC(N)CN Z1203578196 [1,1,0,0,0,0|2,0,0]=4 371 B5R0.3 NCC(O)CF Z2311274712 [1,1,0,0,0,0|2,0,0]=4 372 B5R0.3 OCC(O)CO Z104473548 [1,1,0,0,0,0|1,0,1]=4 373 B5R0.3 OCC(O)CS Z1255382958 [1,1,0,0,0,0|1,0,1]=4 374 B7R0.2 CC(=O)CC(C)C#N Z1258995681 [0,2,0,0,0,0|1,0,1]=4 375 B7R0.2 CC(C)CC(C)C#N Z415654744 [0,2,0,0,0,0|1,0,1]=4 376 B7R0.2 CC(C)CC(C)CO Z1198147790 [0,2,0,0,0,0|0,0,2]=4 377 B7R0.2 CC(C)CC(N)C#N Z449369050 [0,2,0,0,0,0|1,0,1]=4 378 B7R0.2 CC(C)CC(N)CN Z425861052 [0,2,0,0,0,0|1,0,1]=4 379 B7R0.2 CC(C)CC(N)CO Z734151210 [0,2,0,0,0,0|0,0,2]=4 380 B7R0.2 CC(C)CC(O)CN Z1259162114 [0,2,0,0,0,0|1,0,1]=4 381 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,2,0,0,0,0|1,0,0]=3 382 B7R0.2 CC(O)CC(C)CN Z1245536559 [0,2,0,0,0,0|1,0,1]=4 383 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,2,0,0,0,0|0,0,2]=4 384 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,2,0,0,0,0|0,0,1]=3 385 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,2,0,0,0,0|0,0,0]=2 386 B7R0.2 CCC(C)CC(C)N Z2472857681 [0,2,0,0,0,0|1,0,1]=4 387 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,2,0,0,0,0|1,0,0]=3 388 B7R0.2 CCC(C)NC(=S)N Z56907642 [0,2,0,0,0,0|1,1,0]=4 389 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,2,0,0,0,0|0,0,0]=2 390 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,2,0,0,0,0|1,0,0]=3 391 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,2,0,0,0,0|1,0,1]=4 392 B7R0.2 CNC(C)CC(=O)N Z3070230004 [0,2,0,0,0,0|1,0,0]=3 393 B7R0.2 COC(C)CC(=O)O Z431536426 [0,2,0,0,0,0|1,0,0]=3 394 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,2,0,0,0,0|1,0,0]=3 395 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,2,0,0,0,0|1,0,0]=3 396 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,2,0,0,0,0|1,0,0]=3 397 B7R0.3 C#CC(=O)NCCN Z3038435158 [0,2,0,0,0,0|2,0,0]=4 398 B7R0.3 C#CCCN(C)CC Z3024739244 [0,2,0,0,0,0|1,0,1]=4 399 B7R0.3 C/C=C/CC(N)CO Z1718361642 [0,2,0,0,0,0|1,0,1]=4 400 B7R0.3 C=CC(=O)NOCC Z1251326848 [0,2,0,0,0,0|2,0,0]=4 401 B7R0.3 CC(CN)CCCO Z2234185702 [0,2,0,0,0,0|0,0,2]=4 402 B7R0.3 CC/C=C/C(=O)NC Z404206580 [0,2,0,0,0,0|0,0,2]=4 403 B7R0.3 CCC(=O)NCCN Z1455674775 [0,2,0,0,0,0|2,0,0]=4 404 B7R0.3 CCC(C)NCCO Z335251014 [0,2,0,0,0,0|0,0,2]=4 405 B7R0.3 CCC(N)CCOC Z818738108 [0,2,0,0,0,0|0,0,2]=4 406 B7R0.3 CCC(O)CCCN Z1259162031 [0,2,0,0,0,0|1,0,1]=4 407 B7R0.3 CCCCC(=O)CC Z406378226 [0,2,0,0,0,0|0,0,0]=2 408 B7R0.3 CCCCC(C)NC Z446022384 [0,2,0,0,0,0|1,0,1]=4 409 B7R0.3 CCCCC(N)CC Z3303777618 [0,2,0,0,0,0|1,0,1]=4 410 B7R0.3 CCCCC(N)CN Z756921038 [0,2,0,0,0,0|1,0,1]=4 411 B7R0.3 CCCCN(C)N=O Z1198149449 [0,2,0,0,0,0|1,0,0]=3 412 B7R0.3 CCCNC(=O)CC Z33030426 [0,2,0,0,0,0|1,0,0]=3 413 B7R0.3 CCCNC(=S)NN Z56985754 [0,2,0,0,0,0|1,1,0]=4 414 B7R0.3 CCNCC(=O)NC Z55849445 [0,2,0,0,0,0|1,0,0]=3 415 B7R0.3 CCNCC(=O)OC Z138464962 [0,2,0,0,0,0|1,0,0]=3 416 B7R0.3 CCNCC(C)C#N Z235583744 [0,2,0,0,0,0|1,0,1]=4 417 B7R0.3 CCNCC(C)CC Z335456758 [0,2,0,0,0,0|1,0,1]=4 418 B7R0.3 CCNCC(O)CC Z600449680 [0,2,0,0,0,0|1,0,1]=4 419 B7R0.3 CCOCC(O)CN Z271097110 [0,2,0,0,0,0|1,0,1]=4 420 B7R0.3 CCOCC(O)CO Z1178483452 [0,2,0,0,0,0|0,0,2]=4 421 B7R0.3 CCSCC(C)NC Z1238713281 [0,2,0,0,0,0|2,0,0]=4 422 B7R0.3 CN(C=O)CCC#N Z1258520788 [0,2,0,0,0,0|1,0,1]=4 423 B7R0.3 CNC(=N)CCOC Z2739543518 [0,2,0,0,0,0|2,0,0]=4 424 B7R0.3 CNC(=O)CCCN Z451350656 [0,2,0,0,0,0|1,0,0]=3 425 B7R0.3 CNC(=O)NCCO Z177090556 [0,2,0,0,0,0|2,0,0]=4 426 B7R0.3 CNC(=O)OCCO Z1198150357 [0,2,0,0,0,0|2,0,0]=4 427 B7R0.3 CNCCC(=O)NC Z852427258 [0,2,0,0,0,0|1,0,0]=3 428 B7R0.3 CNCCC(=O)OC Z140562916 [0,2,0,0,0,0|1,0,0]=3 429 B7R0.3 COC(=O)CCC#N Z1179894109 [0,2,0,0,0,0|1,0,1]=4 430 B7R0.3 COC(=O)NCCN Z2237317343 [0,2,0,0,0,0|2,0,0]=4 431 B7R0.3 COCCC(C)CN Z879061310 [0,2,0,0,0,0|1,0,1]=4 432 B7R0.3 NCC(=O)NCCO Z401366912 [0,2,0,0,0,0|2,0,0]=4 433 B7R0.3 NCCCC(=O)NO Z3488307998 [0,2,0,0,0,0|1,0,0]=3 434 B7R0.3 O=C(CO)NCCO Z1203732626 [0,2,0,0,0,0|2,0,0]=4 435 B7R0.5 C#CCC(N)C(=O)N Z1203582923 [0,2,0,0,0,0|0,0,2]=4 436 B7R0.5 C#CCC(O)C(C)C Z969111562 [0,2,0,0,0,0|1,0,1]=4 437 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [0,2,0,0,0,0|0,0,2]=4 438 B7R0.5 C=CCC(N)C(=O)O Z317024964 [0,2,0,0,0,0|0,0,2]=4 439 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [0,2,0,0,0,0|0,0,2]=4 440 B7R0.5 CC(C)C(C)CCN Z4760484132 [0,2,0,0,0,0|1,0,1]=4 441 B7R0.5 CC(C)C(N)CCO Z979743766 [0,2,0,0,0,0|0,0,2]=4 442 B7R0.5 CC(C)C(O)CC#N Z1255499091 [0,2,0,0,0,0|1,0,1]=4 443 B7R0.5 CC(C)C(O)CCN Z1203588096 [0,2,0,0,0,0|1,0,1]=4 444 B7R0.5 CC(C)C(O)CCO Z1532770488 [0,2,0,0,0,0|0,0,2]=4 445 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,2,0,0,0,0|1,0,0]=3 446 B7R0.5 CC(CCN)S(=O)C Z1431460424 [0,2,0,0,0,0|2,0,0]=4 447 B7R0.5 CCCC(C)C(=O)O Z104477112 [0,2,0,0,0,0|0,0,0]=2 448 B7R0.5 CCCC(C)C(C)N Z2737299926 [0,2,0,0,0,0|1,0,1]=4 449 B7R0.5 CCCC(N)C(=O)O Z317024724 [0,2,0,0,0,0|0,0,0]=2 450 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [0,2,0,0,0,0|0,0,0]=2 451 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [0,2,0,0,0,0|0,0,0]=2 452 B7R0.5 CCNC(C)C(=O)O Z3181996310 [0,2,0,0,0,0|1,0,0]=3 453 B7R0.5 CCOC(=O)C(=O)C Z104472090 [0,2,0,0,0,0|1,0,1]=4 454 B7R0.5 CCOC(=O)C(=O)N Z104475764 [0,2,0,0,0,0|1,0,1]=4 455 B7R0.5 CCOC(C)C(=N)N Z1268703736 [0,2,0,0,0,0|2,0,0]=4 456 B7R0.5 CCOC(C)C(=O)O Z316258934 [0,2,0,0,0,0|1,0,0]=3 457 B7R0.5 CCSC(C)C(=N)N Z1483957022 [0,2,0,0,0,0|2,0,0]=4 458 B7R0.5 CNCC(C)C(=O)O Z1270387301 [0,2,0,0,0,0|1,0,0]=3 459 B7R0.5 CNCC(C)C(C)C Z3894049929 [0,2,0,0,0,0|2,0,0]=4 460 B7R0.5 CNCC(N)C(C)C Z756920458 [0,2,0,0,0,0|2,0,0]=4 461 B7R0.5 COCC(C)C(=O)O Z431541094 [0,2,0,0,0,0|1,0,0]=3 462 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,2,0,0,0,0|1,0,0]=3 463 B7R0.5 COCC(N)C(C)C Z825742262 [0,2,0,0,0,0|2,0,0]=4 464 B7R0.5 CSCC(C)C(=O)O Z732206684 [0,2,0,0,0,0|1,0,0]=3 465 B7R0.5 CSCC(N)C(=O)O Z317025996 [0,2,0,0,0,0|1,0,0]=3 466 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,2,0,0,0,0|1,0,0]=3 467 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,2,0,0,0,0|1,0,0]=3 468 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,2,0,0,0,0|1,0,0]=3 469 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,2,0,0,0,0|1,0,0]=3 470 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,2,0,0,0,0|1,0,0]=3 471 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,2,0,0,0,0|1,0,0]=3 472 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,2,0,0,0,0|1,0,0]=3 473 B7R0.7 C#CCC(N)COC Z969112126 [0,2,0,0,0,0|1,0,1]=4 474 B7R0.7 CCCC(C)CCN Z2768767726 [0,2,0,0,0,0|1,0,1]=4 475 B7R0.7 CCCC(C)CNC Z3214687920 [0,2,0,0,0,0|1,0,1]=4 476 B7R0.7 CCCC(O)CCO Z1198158209 [0,2,0,0,0,0|0,0,2]=4 477 B7R0.7 CCNC(C)COC Z1245537976 [0,2,0,0,0,0|2,0,0]=4 478 B7R0.7 CNCC(C)COC Z905006554 [0,2,0,0,0,0|2,0,0]=4 479 B7R0.7 CNCC(O)COC Z406679976 [0,2,0,0,0,0|2,0,0]=4 480 B7R0.7 COCC(N)CCO Z1238548168 [0,2,0,0,0,0|0,0,2]=4 481 B7R0.7 COCC(O)CCN Z1182310348 [0,2,0,0,0,0|1,0,1]=4 482 B7R0.7 NCCC(N)CCN Z4461966452 [0,2,0,0,0,0|1,0,1]=4 483 B7R0.7 NCCC(O)CCN Z4497194547 [0,2,0,0,0,0|1,0,1]=4 484 B7R0.10 CCC(C)C(N)CO Z1255523308 [0,2,0,0,0,0|0,0,2]=4 485 B7R0.10 CCC(C)C(O)CC Z1138194601 [0,2,0,0,0,0|1,0,1]=4 486 B7R0.10 CCC(C)C(O)CN Z802901690 [0,2,0,0,0,0|1,0,1]=4 487 B7R0.11 C#CCC(C)(O)CC Z1098923702 [0,2,0,0,0,0|1,0,1]=4 488 B7R0.11 C=CCC(C)(C)CN Z2211231731 [0,2,0,0,0,0|2,0,0]=4 489 B7R0.11 C=CCC(C)(C)CO Z1255384026 [0,2,0,0,0,0|2,0,0]=4 490 B7R0.11 C=CCS(=O)(=O)CC Z1255502034 [0,2,0,0,0,0|2,0,0]=4 491 B7R0.11 CCC(C)(C)CCN Z2724442932 [0,2,0,0,0,0|1,0,1]=4 492 B7R0.11 CCC(C)(C)CCO Z1198160090 [0,2,0,0,0,0|0,0,2]=4 493 B7R0.11 CCC(C)(N)COC Z4185518785 [0,2,0,0,0,0|2,0,0]=4 494 B7R0.11 CCC(F)(F)CCN Z4655824632 [0,2,0,0,0,0|1,0,1]=4 495 B7R0.11 CCCC(C)(N)CO Z734150846 [0,2,0,0,0,0|0,0,2]=4 496 B7R0.12 CCC(CC)CCO Z1198174469 [0,2,0,0,0,0|0,0,2]=4 497 B7R0.12 CCCC(CO)OC Z2050356185 [0,2,0,0,0,0|0,0,2]=4 498 B7R0.12 O=CNC(CO)CO Z1259117052 [0,2,0,0,0,0|2,0,0]=4 499 B7R0.4 C#CCCNC(=O)C Z1188389866 [0,2,0,0,0,0|0,0,2]=4 500 B7R0.4 C#CCCNC(=O)N Z1188370499 [0,2,0,0,0,0|0,0,2]=4 501 B7R0.4 C#CCCOC(=O)N Z1509495134 [0,2,0,0,0,0|0,0,2]=4 502 B7R0.4 C#CCNCC(=O)O Z2513337624 [0,2,0,0,0,0|0,0,2]=4 503 B7R0.4 C#CCOCC(=O)O Z362807246 [0,2,0,0,0,0|0,0,2]=4 504 B7R0.4 C#CCSCC(=O)O Z149151642 [0,2,0,0,0,0|0,0,2]=4 505 B7R0.4 C=CCCCC(=O)O Z1205493561 [0,2,0,0,0,0|0,0,1]=3 506 B7R0.4 C=CCNCC(=O)O Z803145546 [0,2,0,0,0,0|0,0,2]=4 507 B7R0.4 C=CCOCC(=O)O Z362807794 [0,2,0,0,0,0|0,0,2]=4 508 B7R0.4 C=CCSCC(=O)O Z149151274 [0,2,0,0,0,0|0,0,2]=4 509 B7R0.4 CC#CCCC(=O)O Z1205493674 [0,2,0,0,0,0|0,0,1]=3 510 B7R0.4 CC(=O)NCCCN Z295405102 [0,2,0,0,0,0|1,0,0]=3 511 B7R0.4 CC(=O)NCCCO Z353570744 [0,2,0,0,0,0|1,0,0]=3 512 B7R0.4 CC(C)C/C=C/CO Z1813145997 [0,2,0,0,0,0|0,0,2]=4 513 B7R0.4 CC(C)CCCCN Z1250132304 [0,2,0,0,0,0|1,0,1]=4 514 B7R0.4 CC(C)CNCCO Z3269089575 [0,2,0,0,0,0|0,0,2]=4 515 B7R0.4 CC(C)COCCN Z594038266 [0,2,0,0,0,0|1,0,1]=4 516 B7R0.4 CC(C)CSCCN Z1520645037 [0,2,0,0,0,0|1,0,1]=4 517 B7R0.4 CC(C)NCCCO Z56799938 [0,2,0,0,0,0|0,0,2]=4 518 B7R0.4 CC(C)OCCC#N Z317037874 [0,2,0,0,0,0|1,0,1]=4 519 B7R0.4 CC(C)OCCCN Z2677507870 [0,2,0,0,0,0|1,0,1]=4 520 B7R0.4 CC(C)OCCCO Z1080358780 [0,2,0,0,0,0|0,0,2]=4 521 B7R0.4 CC(N)CCCCN Z2186882580 [0,2,0,0,0,0|1,0,1]=4 522 B7R0.4 CC(N)CCCCO Z2234185667 [0,2,0,0,0,0|0,0,2]=4 523 B7R0.4 CCC/C=C/C(=O)O Z104506794 [0,2,0,0,0,0|0,0,1]=3 524 B7R0.4 CCCCCC(=N)N Z3490473907 [0,2,0,0,0,0|1,0,0]=3 525 B7R0.4 CCCCCC(=O)O Z104503532 [0,2,0,0,0,0|0,0,0]=2 526 B7R0.4 CCCCCC(C)N Z104495176 [0,2,0,0,0,0|1,0,1]=4 527 B7R0.4 CCCCNC(=S)N Z56930717 [0,2,0,0,0,0|0,1,0]=3 528 B7R0.4 CCCCOC(=O)N Z104476286 [0,2,0,0,0,0|0,0,0]=2 529 B7R0.4 CCCNCC(=O)N Z2211231296 [0,2,0,0,0,0|0,0,0]=2 530 B7R0.4 CCCNCC(=O)O Z744582718 [0,2,0,0,0,0|0,0,0]=2 531 B7R0.4 CCCNCC(C)C Z90518190 [0,2,0,0,0,0|1,0,1]=4 532 B7R0.4 CCCNCC(F)F Z1262250827 [0,2,0,0,0,0|1,0,1]=4 533 B7R0.4 CCCOCC(=O)O Z406677750 [0,2,0,0,0,0|0,0,0]=2 534 B7R0.4 CCCSCC(=O)C Z447929234 [0,2,0,0,0,0|0,0,0]=2 535 B7R0.4 CCCSCC(=O)O Z228425458 [0,2,0,0,0,0|0,0,0]=2 536 B7R0.4 CCNCCC(=O)N Z2681234913 [0,2,0,0,0,0|0,0,0]=2 537 B7R0.4 CCNCCC(=O)O Z1869802098 [0,2,0,0,0,0|0,0,0]=2 538 B7R0.4 CCOCCC(=O)O Z316258938 [0,2,0,0,0,0|0,0,0]=2 539 B7R0.4 CCSCCC(=O)O Z197206046 [0,2,0,0,0,0|0,0,0]=2 540 B7R0.4 CN(C)CCCC#N Z168912116 [0,2,0,0,0,0|1,0,1]=4 541 B7R0.4 CN(C)CCCCN Z285162754 [0,2,0,0,0,0|1,0,1]=4 542 B7R0.4 CNCCCC(=O)O Z57043473 [0,2,0,0,0,0|0,0,0]=2 543 B7R0.4 CNCCCN(C)C Z138118060 [0,2,0,0,0,0|2,0,0]=4 544 B7R0.4 CNCCNC(=O)C Z1456777974 [0,2,0,0,0,0|1,0,0]=3 545 B7R0.4 COCCCC(=N)N Z1267882086 [0,2,0,0,0,0|1,0,0]=3 546 B7R0.4 COCCCC(=O)C Z406376722 [0,2,0,0,0,0|0,0,0]=2 547 B7R0.4 COCCCC(=O)O Z316258912 [0,2,0,0,0,0|0,0,0]=2 548 B7R0.4 COCCCC(C)O Z854048762 [0,2,0,0,0,0|0,0,2]=4 549 B7R0.4 COCCCN(C)C Z2894648941 [0,2,0,0,0,0|2,0,0]=4 550 B7R0.4 COCCNC(=O)N Z56904572 [0,2,0,0,0,0|1,0,0]=3 551 B7R0.4 COCOCC(=N)N Z1723549321 [0,2,0,0,0,0|2,0,0]=4 552 B7R0.4 CSCCCC(=O)O Z54602911 [0,2,0,0,0,0|0,0,0]=2 553 B7R0.4 N#CCCCC(=O)O Z1198152304 [0,2,0,0,0,0|0,0,1]=3 554 B7R0.4 N#CCSCC(=O)O Z19691779 [0,2,0,0,0,0|1,0,1]=4 555 B7R0.4 NC(=O)COCCO Z1198148880 [0,2,0,0,0,0|1,0,0]=3 556 B7R0.4 NC(=O)NCCCO Z198194722 [0,2,0,0,0,0|1,0,0]=3 557 B7R0.4 NCCCCC(=O)N Z1639630947 [0,2,0,0,0,0|0,0,0]=2 558 B7R0.4 NCCCCC(=O)O Z271111992 [0,2,0,0,0,0|0,0,0]=2 559 B7R0.4 NCCCCC(F)F Z4580667156 [0,2,0,0,0,0|1,0,1]=4 560 B7R0.4 NCCCOC(=O)N Z3337481796 [0,2,0,0,0,0|1,0,0]=3 561 B7R0.4 NCCNCC(=O)O Z2692249907 [0,2,0,0,0,0|1,0,0]=3 562 B7R0.4 NCCOCC(=O)N Z1428158847 [0,2,0,0,0,0|1,0,0]=3 563 B7R0.4 NCCOCC(=O)O Z1650039500 [0,2,0,0,0,0|1,0,0]=3 564 B7R0.4 NCCSCC(=O)O Z1381287295 [0,2,0,0,0,0|1,0,0]=3 565 B7R0.4 O=C(O)CCCCBr Z104479696 [0,2,0,0,0,0|0,0,0]=2 566 B7R0.4 O=C(O)CCCCS Z808230828 [0,2,0,0,0,0|0,0,0]=2 567 B7R0.4 O=C(O)CNCCO Z425411352 [0,2,0,0,0,0|1,0,0]=3 568 B7R0.4 O=C([O-])CCCCO Z2335631573 [0,2,0,0,0,0|0,0,0]=2 569 B7R0.4 O=C([O-])COCCO Z1744715804 [0,2,0,0,0,0|1,0,0]=3 570 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,2,0,0,0,0|0,0,1]=3 571 B7R0.6 CC(=O)NCC(=O)O Z85886676 [0,2,0,0,0,0|1,0,1]=4 572 B7R0.6 CC(=O)NCC(C)O Z353603952 [0,2,0,0,0,0|1,0,0]=3 573 B7R0.6 CC(C)C#CC(=O)O Z1205493820 [0,2,0,0,0,0|0,0,2]=4 574 B7R0.6 CC(C)CCC(=N)N Z2522503133 [0,2,0,0,0,0|1,0,0]=3 575 B7R0.6 CC(C)CCC(=O)O Z56347204 [0,2,0,0,0,0|0,0,0]=2 576 B7R0.6 CC(C)CNC(=O)N Z56895708 [0,2,0,0,0,0|1,0,0]=3 577 B7R0.6 CC(C)NCC(=O)N Z56969693 [0,2,0,0,0,0|1,0,0]=3 578 B7R0.6 CC(C)NCC(=O)O Z359419672 [0,2,0,0,0,0|1,0,0]=3 579 B7R0.6 CC(C)OCC(=N)N Z1511495251 [0,2,0,0,0,0|2,0,0]=4 580 B7R0.6 CC(C)OCC(=O)O Z316259244 [0,2,0,0,0,0|1,0,0]=3 581 B7R0.6 CC(C)SCC(=O)O Z214812600 [0,2,0,0,0,0|1,0,0]=3 582 B7R0.6 CC(N)CCC(=O)O Z1235963367 [0,2,0,0,0,0|0,0,0]=2 583 B7R0.6 CC(N)CCC(F)F Z2737504348 [0,2,0,0,0,0|1,0,1]=4 584 B7R0.6 CC(N)CCN(C)C Z316119490 [0,2,0,0,0,0|2,0,0]=4 585 B7R0.6 CC(N)CCS(=O)C Z1269750451 [0,2,0,0,0,0|1,0,0]=3 586 B7R0.6 CC(O)CCC(=O)O Z838959470 [0,2,0,0,0,0|0,0,0]=2 587 B7R0.6 CN(C)CCC(=N)N Z2582511037 [0,2,0,0,0,0|2,0,0]=4 588 B7R0.6 CN(C)CCC(=O)N Z168912842 [0,2,0,0,0,0|1,0,0]=3 589 B7R0.6 CN(C)CCC(=O)O Z168912830 [0,2,0,0,0,0|1,0,0]=3 590 B7R0.6 CN(C)CCC(=S)N Z370706836 [0,2,0,0,0,0|1,1,0]=4 591 B7R0.6 CS(=O)CCC(=O)O Z667974346 [0,2,0,0,0,0|1,0,0]=3 592 B7R0.6 O=C(O)CCC(=O)O Z57127453 [0,2,0,0,0,0|1,0,1]=4 593 B7R0.8 C=CCNC(C)(C)C Z2583036183 [0,2,0,0,0,0|2,0,0]=4 594 B7R0.8 CC(C)(C)CCC#N Z819990894 [0,2,0,0,0,0|1,0,1]=4 595 B7R0.8 CC(C)(C)CCCN Z819989370 [0,2,0,0,0,0|1,0,1]=4 596 B7R0.8 CC(C)(C)CCCO Z1183459256 [0,2,0,0,0,0|0,0,2]=4 597 B7R0.8 CC(C)(N)CCCN Z1184860919 [0,2,0,0,0,0|1,0,1]=4 598 B7R0.8 CC(C)(O)CCCO Z1255438724 [0,2,0,0,0,0|0,0,2]=4 599 B7R0.8 CC(F)(F)CCCN Z2230911371 [0,2,0,0,0,0|1,0,1]=4 600 B7R0.8 CCCCC(C)(C)N Z4437707785 [0,2,0,0,0,0|1,0,1]=4 601 B7R0.8 CCCCS(=O)(=O)N Z55264566 [0,2,0,0,0,0|1,0,0]=3 602 B7R0.8 CNCCC(C)(C)C Z2380417739 [0,2,0,0,0,0|2,0,0]=4 603 B7R0.8 CNCCC(C)(C)N Z2313105672 [0,2,0,0,0,0|2,0,0]=4 604 B7R0.8 CNCCS(=O)(=O)C Z235580952 [0,2,0,0,0,0|2,0,0]=4 605 B7R0.8 CNCCS(=O)(=O)N Z2312320082 [0,2,0,0,0,0|2,0,0]=4 606 B7R0.8 CNCCS(=O)(=O)O Z3989262607 [0,2,0,0,0,0|2,0,0]=4 607 B7R0.8 COCCC(C)(C)N Z879061970 [0,2,0,0,0,0|2,0,0]=4 608 B7R0.8 COCCS(=O)(=O)N Z425361010 [0,2,0,0,0,0|2,0,0]=4 609 B7R0.8 CS(=O)(=O)CCCN Z752370998 [0,2,0,0,0,0|2,0,0]=4 610 B7R0.8 CS(=O)(=O)CCCO Z1080376164 [0,2,0,0,0,0|2,0,0]=4 611 B7R0.8 NCCCS(=O)(=O)N Z744592958 [0,2,0,0,0,0|2,0,0]=4 612 B7R0.8 NCCCS(=O)(=O)O Z1203578094 [0,2,0,0,0,0|2,0,0]=4 613 B7R0.8 NS(=O)(=O)CCCO Z1267897754 [0,2,0,0,0,0|2,0,0]=4 614 B7R0.1 C#CCOCCCN Z4502872707 [0,2,0,0,0,0|1,0,1]=4 615 B7R0.1 CC#CCCCCO Z1233226212 [0,2,0,0,0,0|0,0,2]=4 616 B7R0.1 CCCCCCCO Z104473596 [0,2,0,0,0,0|0,0,2]=4 617 B7R0.1 CCCCCCNC Z5419328797 [0,2,0,0,0,0|1,0,1]=4 618 B7R0.1 CCCCOCCN Z409191398 [0,2,0,0,0,0|1,0,1]=4 619 B7R0.1 CCCOCCCO Z1080358966 [0,2,0,0,0,0|0,0,2]=4 620 B7R0.1 CCNCCOCC Z138138014 [0,2,0,0,0,0|1,0,1]=4 621 B7R0.1 CCOCCCC#N Z295205414 [0,2,0,0,0,0|1,0,1]=4 622 B7R0.1 CCOCCCCO Z993012560 [0,2,0,0,0,0|0,0,2]=4 623 B7R0.1 CCSCCCC#N Z332378682 [0,2,0,0,0,0|1,0,1]=4 624 B7R0.1 CNCCCCCN Z4097840720 [0,2,0,0,0,0|1,0,1]=4 625 B7R0.1 CNCCCCOC Z875082126 [0,2,0,0,0,0|0,0,2]=4 626 B7R0.1 COCCCCC#N Z815260498 [0,2,0,0,0,0|1,0,1]=4 627 B7R0.1 COCCCCCN Z608347192 [0,2,0,0,0,0|0,0,2]=4 628 B7R0.1 COCCCCCO Z993012416 [0,2,0,0,0,0|0,0,2]=4 629 B7R0.1 COCCNCCF Z2512872814 [0,2,0,0,0,0|1,0,1]=4 630 B7R0.1 COCCNCCN Z2940670642 [0,2,0,0,0,0|1,0,1]=4 631 B7R0.1 COCCNCCO Z266088374 [0,2,0,0,0,0|0,0,2]=4 632 B7R0.1 COCCOCC#N Z295206426 [0,2,0,0,0,0|1,0,1]=4 633 B7R0.1 COCCOCCN Z285178622 [0,2,0,0,0,0|1,0,1]=4 634 B7R0.1 COCCOCCO Z849748688 [0,2,0,0,0,0|0,0,2]=4 635 B7R0.1 CSCCCCC#N Z823282284 [0,2,0,0,0,0|1,0,1]=4 636 B7R0.1 CSCCCCCN Z823285026 [0,2,0,0,0,0|0,1,1]=4 637 B7R0.1 CSCCCCCO Z968557058 [0,2,0,0,0,0|0,0,2]=4 638 B7R0.1 CSCCCCSC Z1198148193 [0,2,0,0,0,0|0,1,1]=4 639 B7R0.1 CSCCCN=C=S Z104495408 [0,2,0,0,0,0|0,1,1]=4 640 B7R0.1 ClCCCNCCCl Z2242062238 [0,2,0,0,0,0|1,0,1]=4 641 B7R0.1 N#CCCNCCO Z53116581 [0,2,0,0,0,0|1,0,1]=4 642 B7R0.1 NCCCCCCN Z104473514 [0,2,0,0,0,0|1,0,1]=4 643 B7R0.1 NCCOCCCO Z2044949087 [0,2,0,0,0,0|0,0,2]=4 644 B7R0.1 NCCSCCCO Z406685362 [0,2,0,0,0,0|0,0,2]=4 645 B7R0.1 OCCCCCCBr Z1255398867 [0,2,0,0,0,0|0,0,2]=4 646 B7R0.1 OCCCCCCO Z104473540 [0,2,0,0,0,0|0,0,2]=4 647 B7R0.1 OCCCNCCO Z104654390 [0,2,0,0,0,0|0,0,2]=4 648 B7R0.1 OCCCOCCO Z1373668758 [0,2,0,0,0,0|0,0,2]=4 649 B7R0.1 OCCCSCCO Z149155194 [0,2,0,0,0,0|0,0,2]=4 650 B5R1.1 C1=CCNC1 Z2306624771 [1,0,0,1,0,0|1,0,1]=4 651 B5R1.2 NC1CCC1 Z1266823158 [1,0,0,1,0,0|1,0,0]=3 652 B5R1.2 NC1COC1 Z317054188 [1,0,0,1,0,0|2,0,0]=4 653 B5R1.2 O=C1CCO1 Z1089877620 [1,0,0,1,0,0|1,0,0]=3 654 B5R1.2 OC1CNC1 Z1012638850 [1,0,0,1,0,0|1,0,1]=4 655 B5R1.2 OC1COC1 Z1123686553 [1,0,0,1,0,0|1,0,1]=4 656 B5R1.3 CNC1CC1 Z138412880 [1,0,0,1,0,0|1,0,1]=4 657 B5R1.3 ClCC1CO1 Z104473190 [1,0,0,1,0,0|1,0,1]=4 658 B5R1.3 N#CC1CC1 Z247612572 [1,0,0,1,0,0|1,0,1]=4 659 B5R1.3 OCC1CC1 Z104479000 [1,0,0,1,0,0|0,0,1]=3 660 B5R1.3 OCC1CO1 Z104476180 [1,0,0,1,0,0|1,0,1]=4 661 B5R1.3 OC[C@@H]1CO1 Z1222330631 [1,0,0,1,0,0|1,0,1]=4 662 B5R1.3 OC[C@H]1CO1 Z1222330633 [1,0,0,1,0,0|1,0,1]=4 663 B5R1.4 CC1CC1N Z406520774 [1,0,0,1,0,0|1,0,0]=3 664 B5R1.4 C[C@@H]1C[C@H]1N Z993905302 [1,0,0,1,0,0|1,0,0]=3 665 B7R1.1 BrCC1CCCO1 Z90660999 [0,1,0,1,0,0|0,0,2]=4 666 B7R1.1 C#CC1CCCN1 Z1203832764 [0,1,0,1,0,0|1,0,1]=4 667 B7R1.1 CCC1CCCN1 Z281773802 [0,1,0,1,0,0|1,0,1]=4 668 B7R1.1 CCC1CCNC1 Z1407004100 [0,1,0,1,0,0|1,0,1]=4 669 B7R1.1 CNC1CCCC1 Z102766802 [0,1,0,1,0,0|1,0,1]=4 670 B7R1.1 CNC1CCOC1 Z1079260566 [0,1,0,1,0,0|2,0,0]=4 671 B7R1.1 CNC1CCSC1 Z102767000 [0,1,0,1,0,0|2,0,0]=4 672 B7R1.1 COC1=NCCC1 Z147641734 [0,1,0,1,0,0|1,0,1]=4 673 B7R1.1 CO[C@@H]1CCNC1 Z1335657682 [0,1,0,1,0,0|2,0,0]=4 674 B7R1.1 CO[C@H]1CCNC1 Z1335657810 [0,1,0,1,0,0|2,0,0]=4 675 B7R1.1 ClCC1CCCO1 Z56893271 [0,1,0,1,0,0|0,0,2]=4 676 B7R1.1 FCC1CCCN1 Z2216711551 [0,1,0,1,0,0|1,0,1]=4 677 B7R1.1 N#CC1CCCC1 Z285131394 [0,1,0,1,0,0|1,0,1]=4 678 B7R1.1 N#CC1CCCO1 Z1079178976 [0,1,0,1,0,0|1,0,1]=4 679 B7R1.1 N#CC1CCCS1 Z1201681638 [0,1,0,1,0,0|1,0,1]=4 680 B7R1.1 N#CC1CCNC1 Z2679312473 [0,1,0,1,0,0|1,0,1]=4 681 B7R1.1 N#CC1CCOC1 Z605647006 [0,1,0,1,0,0|1,0,1]=4 682 B7R1.1 NCC1C=CCC1 Z2768196818 [0,1,0,1,0,0|1,0,0]=3 683 B7R1.1 NCC1CC=CC1 Z2310699469 [0,1,0,1,0,0|1,0,1]=4 684 B7R1.1 NCC1CCCC1 Z367452206 [0,1,0,1,0,0|1,0,1]=4 685 B7R1.1 NCC1CCCS1 Z1201677924 [0,1,0,1,0,0|0,1,1]=4 686 B7R1.1 NC[C@@H]1CCCN1 Z3235020468 [0,1,0,1,0,0|1,0,1]=4 687 B7R1.1 NC[C@H]1CCCN1 Z1483956794 [0,1,0,1,0,0|1,0,1]=4 688 B7R1.1 NNC1CCCC1 Z285139110 [0,1,0,1,0,0|1,0,1]=4 689 B7R1.1 O=CC1=CCCC1 Z1190318866 [0,1,0,1,0,0|0,0,1]=3 690 B7R1.1 O=CC1=CCSC1 Z57981092 [0,1,0,1,0,0|0,0,2]=4 691 B7R1.1 O=CC1CC=CC1 Z1504676872 [0,1,0,1,0,0|0,0,1]=3 692 B7R1.1 O=CC1CCCC1 Z875036058 [0,1,0,1,0,0|0,0,0]=2 693 B7R1.1 O=CC1CCOC1 Z199056102 [0,1,0,1,0,0|0,0,0]=2 694 B7R1.1 O=CC1CCSC1 Z1201681645 [0,1,0,1,0,0|0,0,0]=2 695 B7R1.1 O=CN1CCCC1 Z1255394997 [0,1,0,1,0,0|0,0,0]=2 696 B7R1.1 O=NN1CCOC1 Z1198157988 [0,1,0,1,0,0|2,0,0]=4 697 B7R1.1 OCC1CC=CC1 Z1201622687 [0,1,0,1,0,0|1,0,1]=4 698 B7R1.1 OCC1CCCC1 Z397587414 [0,1,0,1,0,0|0,0,2]=4 699 B7R1.1 OCC1CCCN1 Z825308062 [0,1,0,1,0,0|0,0,2]=4 700 B7R1.1 OCC1CCCS1 Z1201679857 [0,1,0,1,0,0|0,0,2]=4 701 B7R1.1 OCC1CCNC1 Z976722188 [0,1,0,1,0,0|0,0,2]=4 702 B7R1.1 OCC1CCOC1 Z335245192 [0,1,0,1,0,0|0,0,2]=4 703 B7R1.1 OCC1CCSC1 Z1201679855 [0,1,0,1,0,0|0,0,2]=4 704 B7R1.1 OC[C@@H]1CCCN1 Z1123715411 [0,1,0,1,0,0|0,0,2]=4 705 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,1,0,1,0,0|1,0,0]=3 706 B7R1.2 CC1CC(=O)NN1 Z217165562 [0,1,0,1,0,0|2,0,0]=4 707 B7R1.2 CC1CC(CN1)O Z1201051000 [0,1,0,1,0,0|1,0,1]=4 708 B7R1.2 CC1CC(CO1)N Z2418414350 [0,1,0,1,0,0|0,0,2]=4 709 B7R1.2 CC1CC(CS1)N Z1203639702 [0,1,0,1,0,0|0,1,1]=4 710 B7R1.2 CC1CCC(=O)N1 Z1250132456 [0,1,0,1,0,0|0,0,0]=2 711 B7R1.2 CC1CCC(=O)O1 Z963595138 [0,1,0,1,0,0|0,0,0]=2 712 B7R1.2 CC1CCC(C1)O Z1233224917 [0,1,0,1,0,0|0,0,2]=4 713 B7R1.2 CC1CCC(N1)C Z1413780490 [0,1,0,1,0,0|1,0,1]=4 714 B7R1.2 CC1CN=C(N1)N Z1642389934 [0,1,0,1,0,0|2,0,0]=4 715 B7R1.2 CC1CN=C(O1)N Z1203579428 [0,1,0,1,0,0|1,0,1]=4 716 B7R1.2 CC1CNC(=N)C1 Z4085233400 [0,1,0,1,0,0|2,0,0]=4 717 B7R1.2 CC1CNC(=O)C1 Z959319678 [0,1,0,1,0,0|1,0,0]=3 718 B7R1.2 CC1CNC(=O)N1 Z1203730895 [0,1,0,1,0,0|1,0,0]=3 719 B7R1.2 CC1CNC(=O)O1 Z1198149952 [0,1,0,1,0,0|1,0,0]=3 720 B7R1.2 CC1CNC(C1)C Z1250222491 [0,1,0,1,0,0|1,0,1]=4 721 B7R1.2 CN1CCC(=N1)N Z1582262999 [0,1,0,1,0,0|2,0,0]=4 722 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,1,0,1,0,0|1,0,0]=3 723 B7R1.2 CN1CCC(=O)N1 Z1618125551 [0,1,0,1,0,0|1,0,0]=3 724 B7R1.2 C[C@H]1CC[C@H](N1)C Z3244812696 [0,1,0,1,0,0|1,0,1]=4 725 B7R1.2 NC1=CC(=O)CC1 Z1124125496 [0,1,0,1,0,0|0,0,2]=4 726 B7R1.2 NC1CCS(=O)C1 Z1267860904 [0,1,0,1,0,0|1,0,0]=3 727 B7R1.2 NC1CNC(=O)C1 Z1198329759 [0,1,0,1,0,0|1,0,0]=3 728 B7R1.2 N[C@H]1CC[C@H](C1)N Z2752749810 [0,1,0,1,0,0|1,0,1]=4 729 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,1,0,1,0,0|1,0,0]=3 730 B7R1.2 O=C1CCC(=O)N1 Z57127349 [0,1,0,1,0,0|1,0,1]=4 731 B7R1.2 O=C1CCC(=O)O1 Z57127506 [0,1,0,1,0,0|1,0,1]=4 732 B7R1.3 C=C1CCNCC1 Z1124146875 [0,1,0,1,0,0|1,0,0]=3 733 B7R1.3 CC1=CCCNC1 Z2143573194 [0,1,0,1,0,0|1,0,1]=4 734 B7R1.3 CC1CNCCN1 Z104480242 [0,1,0,1,0,0|1,0,1]=4 735 B7R1.3 CC1CNCCO1 Z204013884 [0,1,0,1,0,0|0,0,2]=4 736 B7R1.3 CC1CNCCS1 Z334686272 [0,1,0,1,0,0|0,1,1]=4 737 B7R1.3 CC1COCCN1 Z336087928 [0,1,0,1,0,0|1,0,1]=4 738 B7R1.3 CC1CSCCN1 Z334686282 [0,1,0,1,0,0|1,0,1]=4 739 B7R1.3 CN1CCNCC1 Z57834041 [0,1,0,1,0,0|2,0,0]=4 740 B7R1.3 C[C@H]1CCCNC1 Z1895741201 [0,1,0,1,0,0|1,0,1]=4 741 B7R1.3 C[C@H]1CNCCN1 Z1187834254 [0,1,0,1,0,0|1,0,1]=4 742 B7R1.3 FC1=CCCNC1 Z1570657372 [0,1,0,1,0,0|1,0,1]=4 743 B7R1.3 FC1CCNCC1 Z1741960061 [0,1,0,1,0,0|1,0,1]=4 744 B7R1.3 NC1=NCCCC1 Z1723418848 [0,1,0,1,0,0|1,0,0]=3 745 B7R1.3 NC1=NCCCN1 Z1259041088 [0,1,0,1,0,0|2,0,0]=4 746 B7R1.3 NC1=NCCCS1 Z2211231389 [0,1,0,1,0,0|1,1,0]=4 747 B7R1.3 NC1C=CCCC1 Z1203579654 [0,1,0,1,0,0|1,0,0]=3 748 B7R1.3 NC1CCCCC1 Z1945707495 [0,1,0,1,0,0|1,0,1]=4 749 B7R1.3 NC1CCCOC1 Z1013492300 [0,1,0,1,0,0|0,0,2]=4 750 B7R1.3 NC1CCCSC1 Z1029463244 [0,1,0,1,0,0|0,1,1]=4 751 B7R1.3 NC1CCOCC1 Z600428352 [0,1,0,1,0,0|0,0,2]=4 752 B7R1.3 NC1CCSCC1 Z992716928 [0,1,0,1,0,0|0,1,1]=4 753 B7R1.3 O=C1C=CCCC1 Z295197140 [0,1,0,1,0,0|0,0,1]=3 754 B7R1.3 O=C1C=CCCO1 Z1255402681 [0,1,0,1,0,0|0,0,2]=4 755 B7R1.3 O=C1CCCCC1 Z104474256 [0,1,0,1,0,0|0,0,0]=2 756 B7R1.3 O=C1CCCCN1 Z168817684 [0,1,0,1,0,0|0,0,0]=2 757 B7R1.3 O=C1CCCCO1 Z432085120 [0,1,0,1,0,0|0,0,0]=2 758 B7R1.3 O=C1CCCCS1 Z1726147018 [0,1,0,1,0,0|0,0,0]=2 759 B7R1.3 O=C1CCCNC1 Z3063726909 [0,1,0,1,0,0|0,0,0]=2 760 B7R1.3 O=C1CCCNN1 Z1416174508 [0,1,0,1,0,0|1,0,0]=3 761 B7R1.3 O=C1CCCSC1 Z979714552 [0,1,0,1,0,0|0,0,0]=2 762 B7R1.3 O=C1CCNCC1 Z1741959513 [0,1,0,1,0,0|0,0,0]=2 763 B7R1.3 O=C1CNCCN1 Z56968535 [0,1,0,1,0,0|1,0,0]=3 764 B7R1.3 O=C1CSCCN1 Z337709368 [0,1,0,1,0,0|1,0,0]=3 765 B7R1.3 O=C1CSCSC1 Z1251333166 [0,1,0,1,0,0|1,0,0]=3 766 B7R1.3 O=C1NCCCN1 Z1203730774 [0,1,0,1,0,0|1,0,0]=3 767 B7R1.3 O=C1NCCCO1 Z1198312172 [0,1,0,1,0,0|1,0,0]=3 768 B7R1.3 O=C1NCNCN1 Z1255437058 [0,1,0,1,0,0|2,0,0]=4 769 B7R1.3 O=C1NNCCO1 Z2732442016 [0,1,0,1,0,0|2,0,0]=4 770 B7R1.3 O=S1CCNCC1 Z1263714072 [0,1,0,1,0,0|1,0,0]=3 771 B7R1.3 OC1CCCCC1 Z104473498 [0,1,0,1,0,0|0,0,2]=4 772 B7R1.3 OC1CCCSC1 Z993818972 [0,1,0,1,0,0|0,0,2]=4 773 B7R1.3 OC1CCNCC1 Z56347197 [0,1,0,1,0,0|0,0,2]=4 774 B7R1.3 OC1CCOCC1 Z1359429523 [0,1,0,1,0,0|0,0,2]=4 775 B7R1.3 OC1CCONC1 Z3325124334 [0,1,0,1,0,0|1,0,1]=4 776 B7R1.4 C=C1CCOC1=O Z1255438435 [0,1,0,1,0,0|0,0,2]=4 777 B7R1.4 C=C1COCC1N Z3066568668 [0,1,0,1,0,0|2,0,0]=4 778 B7R1.4 CC1=C(CNC1)C Z1203817906 [0,1,0,1,0,0|1,0,1]=4 779 B7R1.4 CC1CCCC1=O Z813018382 [0,1,0,1,0,0|0,0,0]=2 780 B7R1.4 CC1CCCC1N Z1219738990 [0,1,0,1,0,0|1,0,1]=4 781 B7R1.4 CC1CCNC1=O Z1198147219 [0,1,0,1,0,0|0,0,0]=2 782 B7R1.4 CC1CCNC1C Z1335657674 [0,1,0,1,0,0|1,0,1]=4 783 B7R1.4 CC1CNCC1C Z1281657986 [0,1,0,1,0,0|1,0,1]=4 784 B7R1.4 CC1NCCC1=O Z2733314209 [0,1,0,1,0,0|0,0,0]=2 785 B7R1.4 CC1SCCC1N Z2408712737 [0,1,0,1,0,0|0,1,1]=4 786 B7R1.4 CN1CCCC1=O Z104478382 [0,1,0,1,0,0|0,0,0]=2 787 B7R1.4 CN1CCNC1=O Z336079928 [0,1,0,1,0,0|1,0,0]=3 788 B7R1.4 CN1CCSC1=N Z3242405392 [0,1,0,1,0,0|2,0,0]=4 789 B7R1.4 CN1CNCC1=O Z1601562352 [0,1,0,1,0,0|1,0,0]=3 790 B7R1.4 C[C@@H]1CCC[C@@H]1N Z2309845262 [0,1,0,1,0,0|1,0,1]=4 791 B7R1.4 C[C@@H]1CCC[C@H]1N Z2568757690 [0,1,0,1,0,0|1,0,1]=4 792 B7R1.4 C[C@@H]1CNC[C@@H]1O Z2309845194 [0,1,0,1,0,0|0,0,2]=4 793 B7R1.4 C[C@@H]1NCC[C@H]1O Z2235678880 [0,1,0,1,0,0|0,0,2]=4 794 B7R1.4 C[C@H]1OCC[C@H]1N Z2186882122 [0,1,0,1,0,0|0,0,2]=4 795 B7R1.4 NC1CCOC1=O Z56921763 [0,1,0,1,0,0|1,0,0]=3 796 B7R1.4 NC1CCSC1=O Z56922158 [0,1,0,1,0,0|1,0,0]=3 797 B7R1.4 NC1CONC1=O Z336087816 [0,1,0,1,0,0|2,0,0]=4 798 B7R1.4 NN1CCOC1=O Z1198147716 [0,1,0,1,0,0|2,0,0]=4 799 B7R1.4 N[C@@H]1CCC[C@@H]1O Z2306841441 [0,1,0,1,0,0|0,0,2]=4 800 B7R1.4 N[C@@H]1CCC[C@H]1N Z2786079696 [0,1,0,1,0,0|1,0,1]=4 801 B7R1.4 N[C@@H]1CCC[C@H]1O Z2256393934 [0,1,0,1,0,0|0,0,2]=4 802 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [0,1,0,1,0,0|1,0,0]=3 803 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [0,1,0,1,0,0|2,0,0]=4 804 B7R1.4 N[C@H]1CCC[C@@H]1O Z1197994837 [0,1,0,1,0,0|0,0,2]=4 805 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [0,1,0,1,0,0|1,0,0]=3 806 B7R1.4 N[C@H]1CONC1=O Z1201618622 [0,1,0,1,0,0|2,0,0]=4 807 B7R1.4 O=C1CCCC1Cl Z104492966 [0,1,0,1,0,0|0,0,0]=2 808 B7R1.4 O=C1NCCC1F Z1203745843 [0,1,0,1,0,0|1,0,0]=3 809 B7R1.4 OC1CCCC1O Z600452564 [0,1,0,1,0,0|0,0,2]=4 810 B7R1.5 CC1CC1CCN Z4888675966 [0,1,0,1,0,0|1,0,1]=4 811 B7R1.5 CCC[C@@H]1C[C@H]1N Z2298098035 [0,1,0,1,0,0|1,0,1]=4 812 B7R1.5 CNCC1CC1C Z3752925195 [0,1,0,1,0,0|1,0,1]=4 813 B7R1.6 CCCC1CNC1 Z2310679174 [0,1,0,1,0,0|1,0,1]=4 814 B7R1.6 CCNC1CCC1 Z2144245483 [0,1,0,1,0,0|1,0,1]=4 815 B7R1.6 CNCC1CCC1 Z1692482598 [0,1,0,1,0,0|1,0,1]=4 816 B7R1.6 COCC1CCN1 Z2213893372 [0,1,0,1,0,0|1,0,1]=4 817 B7R1.6 N#CCC1CCC1 Z1198184443 [0,1,0,1,0,0|1,0,1]=4 818 B7R1.6 N#CCC1CNC1 Z2512942957 [0,1,0,1,0,0|1,0,1]=4 819 B7R1.6 NCCC1CCC1 Z1405445718 [0,1,0,1,0,0|1,0,1]=4 820 B7R1.6 NCCN1CCC1 Z1203582961 [0,1,0,1,0,0|1,0,1]=4 821 B7R1.6 O=CCC1CCC1 Z1198184444 [0,1,0,1,0,0|0,0,0]=2 822 B7R1.6 O=CCC1COC1 Z1511884358 [0,1,0,1,0,0|0,0,0]=2 823 B7R1.8 CN[C@@H]1CC[C@H]1O Z2678247023 [0,1,0,1,0,0|0,0,2]=4 824 B7R1.8 CO[C@@H]1CC[C@H]1N Z2311224799 [0,1,0,1,0,0|1,0,1]=4 825 B7R1.9 CCC1CC1C=O Z1513989944 [0,1,0,1,0,0|0,0,0]=2 826 B7R1.9 CC[C@@H]1C[C@H]1C=O Z3300760890 [0,1,0,1,0,0|0,0,0]=2 827 B7R1.9 CC[C@@H]1C[C@H]1CN Z2235810238 [0,1,0,1,0,0|1,0,1]=4 828 B7R1.9 N#CC1CC1C=O Z1511894712 [0,1,0,1,0,0|0,0,1]=3 829 B7R1.10 C#CC1CC(C1)N Z3194913768 [0,1,0,1,0,0|1,0,1]=4 830 B7R1.10 C#C[C@H]1C[C@H](C1)N Z4052534980 [0,1,0,1,0,0|1,0,1]=4 831 B7R1.10 C=C1CC(C1)C=O Z1486007751 [0,1,0,1,0,0|0,0,1]=3 832 B7R1.10 C=C1CC(C1)CN Z3018667936 [0,1,0,1,0,0|2,0,0]=4 833 B7R1.10 C=C1CC(C1)NC Z3417039111 [0,1,0,1,0,0|2,0,0]=4 834 B7R1.10 C=CC1CC(=O)N1 Z1203730883 [0,1,0,1,0,0|0,0,2]=4 835 B7R1.10 C=CC1CC(C1)N Z4052438501 [0,1,0,1,0,0|1,0,0]=3 836 B7R1.10 CCC1CC(C1)N Z4130021870 [0,1,0,1,0,0|1,0,1]=4 837 B7R1.10 CNC1CC(C1)O Z1318186466 [0,1,0,1,0,0|2,0,0]=4 838 B7R1.10 CSC1CC(C1)N Z2724378300 [0,1,0,1,0,0|2,0,0]=4 839 B7R1.10 CS[C@H]1C[C@H](C1)N Z5055881160 [0,1,0,1,0,0|2,0,0]=4 840 B7R1.10 N#CC1CC(C1)N Z1813175336 [0,1,0,1,0,0|1,0,1]=4 841 B7R1.10 NC[C@H]1C[C@@H](C1)O Z2755724217 [0,1,0,1,0,0|1,0,1]=4 842 B7R1.10 N[C@H]1C[C@H](C1)CO Z1203585248 [0,1,0,1,0,0|0,0,2]=4 843 B7R1.11 CC1C(C1C=O)Cl Z1262487267 [0,1,0,1,0,0|0,0,0]=2 844 B7R1.11 C[C@H]1C([C@@H]1C)C=O Z3081818776 [0,1,0,1,0,0|0,0,0]=2 845 B7R1.11 C[C@H]1C([C@@H]1C)CN Z4165830246 [0,1,0,1,0,0|1,0,1]=4 846 B7R1.21 CC1(CC1)CC=O Z3247248393 [0,1,0,1,0,0|0,0,0]=2 847 B7R1.21 CC1(CC1)CCO Z1813155991 [0,1,0,1,0,0|0,0,2]=4 848 B7R1.21 CCCC1(CC1)N Z3072982019 [0,1,0,1,0,0|1,0,1]=4 849 B7R1.21 CCCC1(CO1)C Z1020679916 [0,1,0,1,0,0|0,0,2]=4 850 B7R1.21 CNCC1(CC1)F Z3243520361 [0,1,0,1,0,0|2,0,0]=4 851 B7R1.21 CNCC1(CC1)N Z5185499776 [0,1,0,1,0,0|2,0,0]=4 852 B7R1.21 COCC1(CC1)N Z2301519229 [0,1,0,1,0,0|2,0,0]=4 853 B7R1.21 NC1(CC1)CCO Z2211231673 [0,1,0,1,0,0|0,0,2]=4 854 B7R1.22 C#CC(N)C1CC1 Z3335415540 [0,1,0,1,0,0|1,0,1]=4 855 B7R1.22 C=CC(N)C1CC1 Z3444558430 [0,1,0,1,0,0|1,0,0]=3 856 B7R1.22 CC(C#N)C1CC1 Z415654714 [0,1,0,1,0,0|1,0,1]=4 857 B7R1.22 CC(C=O)C1CC1 Z1263529480 [0,1,0,1,0,0|0,0,0]=2 858 B7R1.22 CC(CN)C1CC1 Z1259341042 [0,1,0,1,0,0|1,0,1]=4 859 B7R1.22 CN(N=O)C1CC1 Z1934631325 [0,1,0,1,0,0|2,0,0]=4 860 B7R1.22 CNC(C)C1CC1 Z270730248 [0,1,0,1,0,0|2,0,0]=4 861 B7R1.22 N#CC(N)C1CC1 Z1266854880 [0,1,0,1,0,0|1,0,1]=4 862 B7R1.22 NC(CO)C1CC1 Z1362754532 [0,1,0,1,0,0|0,0,2]=4 863 B7R1.22 NCC(N)C1CC1 Z445154916 [0,1,0,1,0,0|1,0,1]=4 864 B7R1.22 NCC(O)C1CC1 Z802856322 [0,1,0,1,0,0|1,0,1]=4 865 B7R1.25 C=CC1(CCC1)N Z3241265563 [0,1,0,1,0,0|1,0,0]=3 866 B7R1.25 CC1(CCC1)C#N Z1255381956 [0,1,0,1,0,0|1,0,1]=4 867 B7R1.25 CC1(CCC1)C=O Z1198728427 [0,1,0,1,0,0|0,0,0]=2 868 B7R1.25 CC1(CCC1)CN Z1357823912 [0,1,0,1,0,0|1,0,1]=4 869 B7R1.25 CC1(COC1)C=O Z1198234536 [0,1,0,1,0,0|1,0,0]=3 870 B7R1.25 CC1(CSC1)C=O Z2732442937 [0,1,0,1,0,0|1,0,0]=3 871 B7R1.25 CCC1(CCC1)N Z1333043532 [0,1,0,1,0,0|1,0,1]=4 872 B7R1.25 CNC1(CCC1)C Z1255443634 [0,1,0,1,0,0|2,0,0]=4 873 B7R1.25 N#CC1(CCC1)N Z406679978 [0,1,0,1,0,0|1,0,1]=4 874 B7R1.25 NC1(CCC1)CO Z1203581511 [0,1,0,1,0,0|0,0,2]=4 875 B7R1.25 NCC1(CCC1)Cl Z4313035783 [0,1,0,1,0,0|1,0,1]=4 876 B7R1.25 NCC1(CCC1)F Z1862011799 [0,1,0,1,0,0|1,0,1]=4 877 B7R1.25 NCC1(CCC1)O Z419084774 [0,1,0,1,0,0|1,0,1]=4 878 B7R1.25 OCC1(CCC1)O Z1537124745 [0,1,0,1,0,0|0,0,2]=4 879 B7R1.27 CC1CC1(C)C=O Z1513984691 [0,1,0,1,0,0|0,0,0]=2 880 B7R1.7 C#CCNC1CC1 Z138414626 [0,1,0,1,0,0|1,0,1]=4 881 B7R1.7 C=CCCC1CO1 Z1255485443 [0,1,0,1,0,0|1,0,0]=3 882 B7R1.7 C=CCNC1CC1 Z2142036642 [0,1,0,1,0,0|1,0,0]=3 883 B7R1.7 CCCCC1CO1 Z1020679810 [0,1,0,1,0,0|0,0,2]=4 884 B7R1.7 CCNCC1CC1 Z1692483163 [0,1,0,1,0,0|1,0,1]=4 885 B7R1.7 CCOCC1CO1 Z271128258 [0,1,0,1,0,0|0,0,2]=4 886 B7R1.7 CNCCC1CC1 Z1480642691 [0,1,0,1,0,0|1,0,1]=4 887 B7R1.7 COCCC1CO1 Z1495386141 [0,1,0,1,0,0|0,0,2]=4 888 B7R1.7 FCCNC1CC1 Z5629279666 [0,1,0,1,0,0|1,0,1]=4 889 B7R1.7 N#CCNC1CC1 Z235643824 [0,1,0,1,0,0|1,0,1]=4 890 B7R1.7 NCCCC1CC1 Z2465611603 [0,1,0,1,0,0|1,0,1]=4 891 B7R1.7 NCCNC1CC1 Z756920128 [0,1,0,1,0,0|1,0,1]=4 892 B7R1.7 NCCOC1CC1 Z2786559006 [0,1,0,1,0,0|1,0,1]=4 893 B7R1.7 O=C/C=C/C1CC1 Z1318198760 [0,1,0,1,0,0|0,0,1]=3 894 B7R1.7 O=C=NCC1CC1 Z826525040 [0,1,0,1,0,0|0,0,1]=3 895 B7R1.7 O=CCCC1CC1 Z1233208002 [0,1,0,1,0,0|0,0,0]=2 896 B7R1.7 OCCNC1CC1 Z285050134 [0,1,0,1,0,0|0,0,2]=4 897 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,1,0,1,0,0|0,0,0]=2 898 B7R1.12 CC(C)[C@@H]1C[C@H]1N Z2285053182 [0,1,0,1,0,0|1,0,1]=4 899 B7R1.12 CC1CC1C(=O)N Z33546780 [0,1,0,1,0,0|0,0,0]=2 900 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,1,0,1,0,0|0,0,0]=2 901 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,1,0,1,0,0|0,0,0]=2 902 B7R1.14 CC1(C=CCN1)C Z3477416732 [0,1,0,1,0,0|2,0,0]=4 903 B7R1.14 CC1(CC=CC1)N Z2470136742 [0,1,0,1,0,0|1,0,1]=4 904 B7R1.14 CC1(CCCC1)O Z449370856 [0,1,0,1,0,0|0,0,2]=4 905 B7R1.14 CC1(CCCN1)C Z1259335892 [0,1,0,1,0,0|1,0,1]=4 906 B7R1.14 CC1(CCNC1)C Z1270207926 [0,1,0,1,0,0|2,0,0]=4 907 B7R1.14 CC1(CCNC1)O Z1139194384 [0,1,0,1,0,0|2,0,0]=4 908 B7R1.14 CC1(CCOC1)N Z1895741238 [0,1,0,1,0,0|2,0,0]=4 909 B7R1.14 CC1(CCSC1)N Z4990294346 [0,1,0,1,0,0|2,0,0]=4 910 B7R1.14 CC1(CCSC1)O Z1359841674 [0,1,0,1,0,0|2,0,0]=4 911 B7R1.14 N=S1(=O)CCCC1 Z1862022759 [0,1,0,1,0,0|1,0,0]=3 912 B7R1.14 O=S1(=O)CCCN1 Z359508120 [0,1,0,1,0,0|2,0,0]=4 913 B7R1.17 CC1(CCC1=O)C Z1416192672 [0,1,0,1,0,0|0,0,0]=2 914 B7R1.17 CC1(CCC1N)C Z1813195196 [0,1,0,1,0,0|1,0,1]=4 915 B7R1.17 CC1(CNC1=O)C Z425427928 [0,1,0,1,0,0|1,0,0]=3 916 B7R1.18 CC(O)C1CCC1 Z1198149695 [0,1,0,1,0,0|0,0,2]=4 917 B7R1.18 N=C(N)C1CCC1 Z1532540511 [0,1,0,1,0,0|1,0,0]=3 918 B7R1.18 N=C(N)C1CNC1 Z4479186811 [0,1,0,1,0,0|2,0,0]=4 919 B7R1.18 NC(=O)C1CCC1 Z33546656 [0,1,0,1,0,0|0,0,0]=2 920 B7R1.18 NC(=O)C1CNC1 Z2754447740 [0,1,0,1,0,0|1,0,0]=3 921 B7R1.18 O=C(O)C1CCC1 Z104472264 [0,1,0,1,0,0|0,0,0]=2 922 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,1,0,1,0,0|1,0,0]=3 923 B7R1.18 O=C(O)C1CNC1 Z1171217434 [0,1,0,1,0,0|1,0,0]=3 924 B7R1.18 O=C(O)C1CSC1 Z1205495555 [0,1,0,1,0,0|1,0,0]=3 925 B7R1.20 CC(=O)CC1CC1 Z1198160502 [0,1,0,1,0,0|0,0,0]=2 926 B7R1.20 CC(C)CC1CO1 Z1020679872 [0,1,0,1,0,0|0,0,2]=4 927 B7R1.20 NC(=NC1CC1)N Z1815149162 [0,1,0,1,0,0|2,0,0]=4 928 B7R1.20 NC(=O)CC1CC1 Z365255854 [0,1,0,1,0,0|0,0,0]=2 929 B7R1.20 NC(=O)NC1CC1 Z57000532 [0,1,0,1,0,0|1,0,0]=3 930 B7R1.20 NC(=S)NC1CC1 Z85934238 [0,1,0,1,0,0|1,1,0]=4 931 B7R1.20 O=C(O)CC1CC1 Z234893653 [0,1,0,1,0,0|0,0,0]=2 932 B7R1.23 CC1(CC1C#N)C Z756145422 [0,1,0,1,0,0|1,0,1]=4 933 B7R1.23 CC1(CC1C=O)Br Z1513978436 [0,1,0,1,0,0|0,0,0]=2 934 B7R1.23 CC1(CC1C=O)C Z1511745659 [0,1,0,1,0,0|0,0,0]=2 935 B7R1.23 CC1(CC1CN)C Z1267773739 [0,1,0,1,0,0|1,0,1]=4 936 B7R1.23 CC1(CC1CO)C Z1198310193 [0,1,0,1,0,0|0,0,2]=4 937 B7R1.23 CC1(C[C@@H]1C=O)C Z1511802856 [0,1,0,1,0,0|0,0,0]=2 938 B7R1.23 CC1(OC1C=O)C Z1511743636 [0,1,0,1,0,0|1,0,0]=3 939 B7R1.23 CNC1CC1(C)C Z1895742049 [0,1,0,1,0,0|2,0,0]=4 940 B7R1.23 O=CC1CC1(Cl)Cl Z1511747117 [0,1,0,1,0,0|1,0,0]=3 941 B7R1.24 C1=CCCNCC1 Z1255363448 [0,1,0,1,0,0|1,0,0]=3 942 B7R1.24 C1CCCNCC1 Z57127566 [0,1,0,1,0,0|1,0,1]=4 943 B7R1.24 C1CCNOCC1 Z1824482753 [0,1,0,1,0,0|0,0,2]=4 944 B7R1.24 C1CNCCOC1 Z359510198 [0,1,0,1,0,0|0,0,2]=4 945 B7R1.24 C1CNCCSC1 Z1954803255 [0,1,0,1,0,0|0,1,1]=4 946 B7R1.24 C1CSSCCN1 Z1203735354 [0,1,0,1,0,0|1,1,0]=4 947 B7R2.13 C1=CC2OC2C1 Z1238546190 [0,0,0,2,0,0|2,0,0]=4 948 B7R2.13 C1CC2CC2N1 Z1964347529 [0,0,0,2,0,0|1,0,1]=4 949 B7R2.13 C1CC2OC2C1 Z255149904 [0,0,0,2,0,0|0,0,2]=4 950 B7R2.13 C1NCC2C1C2 Z1270630267 [0,0,0,2,0,0|1,0,1]=4 951 B7R2.11 C1NC2CC1C2 Z3074473459 [0,0,0,2,0,0|1,0,1]=4 952 B7R2.1 C1CC1C2CO2 Z1020679808 [0,0,0,2,0,0|0,0,2]=4 953 B7R2.3 NC1CC12CC2 Z2379087701 [0,0,0,2,0,0|1,0,1]=4 954 B7R2.16 C1CC2(C1)CO2 Z1198320605 [0,0,0,2,0,0|0,0,2]=4