0 B6R0.6 C#CCCCCN Z1431002697 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.6 C#CCNCCC Z815264308 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.6 C#CCNCCF Z3325124018 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 C#CCSCCN Z1250132324 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.6 C=CCCCCN Z1198160046 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.6 C=CCNCCO Z137800938 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.6 C=CCOCCN Z976678988 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.6 C=CCSCCN Z1262237162 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.6 CCC#CCCN Z1203585246 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.6 CCCCCCO Z104473568 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.6 CCCCN=C=S Z104473876 [0,0,0,0,0,0|2,1,1]=4 11 B6R0.6 CCCNCC#N Z235653524 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.6 CCCOCCN Z4449042604 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.6 CCNCCCF Z1203824341 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.6 CCNCCCO Z138139914 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.6 CCNCCSC Z2412193591 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.6 CCOCCCO Z1080358490 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.6 CNCCCCN Z2939606540 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.6 CNCCCCO Z839096662 [0,0,0,0,0,0|1,0,0]=1 19 B6R0.6 CNCCCOC Z137847932 [0,0,0,0,0,0|2,1,0]=3 20 B6R0.6 CNCCCSC Z102766932 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.6 COCCCC#N Z295205400 [0,0,0,0,0,0|1,1,1]=3 22 B6R0.6 COCCCCO Z431605254 [0,0,0,0,0,0|0,1,0]=1 23 B6R0.6 COCCN=C=O Z1094719556 [0,0,0,0,0,0|1,1,2]=4 24 B6R0.6 CONCCCN Z2492414217 [0,0,0,0,0,0|2,1,0]=3 25 B6R0.6 ClCCNCCCl Z57388616 [0,0,0,0,0,0|4,0,0]=4 26 B6R0.6 FCCNCCF Z4880681336 [0,0,0,0,0,0|4,0,0]=4 27 B6R0.6 N#CCCCCN Z823279224 [0,0,0,0,0,0|3,0,0]=3 28 B6R0.6 N#CCCCCO Z431952150 [0,0,0,0,0,0|2,0,0]=2 29 B6R0.6 NCC#CCCO Z1203639371 [0,0,0,0,0,0|2,0,2]=4 30 B6R0.6 NCCC#CCO Z4947584692 [0,0,0,0,0,0|2,0,2]=4 31 B6R0.6 NCCCCCF Z3524160733 [0,0,0,0,0,0|3,0,0]=3 32 B6R0.6 NCCCCCN Z951173830 [0,0,0,0,0,0|3,0,0]=3 33 B6R0.6 NCCNCCN Z104475186 [0,0,0,0,0,0|4,0,0]=4 34 B6R0.6 O=CCCCC=O Z57127529 [0,0,0,0,0,0|2,0,2]=4 35 B6R0.6 OCCNCCO Z104475196 [0,0,0,0,0,0|3,0,0]=3 36 B5R0.2 C#CCCCN Z1945700461 [1,0,0,0,0,0|1,0,2]=4 37 B5R0.2 C#CCCNC Z3270794267 [1,0,0,0,0,0|1,0,2]=4 38 B5R0.2 C#CCNCC Z815264056 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.2 C/C=C/CCN Z1268152372 [1,0,0,0,0,0|1,0,2]=4 40 B5R0.2 C/C=C/OCC Z281777810 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.2 C=CCCCN Z993058434 [1,0,0,0,0,0|1,0,2]=4 42 B5R0.2 C=CCNCC Z2044769224 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.2 CC#CCCO Z1033337288 [1,0,0,0,0,0|0,0,2]=3 44 B5R0.2 CC#CCNC Z2679312432 [1,0,0,0,0,0|1,0,2]=4 45 B5R0.2 CCC#CCN Z4935566672 [1,0,0,0,0,0|1,0,2]=4 46 B5R0.2 CCCCC=O Z104472992 [1,0,0,0,0,0|0,0,2]=3 47 B5R0.2 CCCCCN Z104472246 [1,0,0,0,0,0|1,0,0]=2 48 B5R0.2 CCCNCC Z138446288 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.2 CCNCC#N Z235583784 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.2 CCNCCF Z1198305484 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.2 CCNCCO Z1258992395 [1,0,0,0,0,0|1,0,0]=2 52 B5R0.2 CCNOCC Z223690220 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.2 CCOCC#N Z295205412 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.2 CCOCCN Z271005962 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.2 CCOCCO Z104473122 [1,0,0,0,0,0|1,0,0]=2 56 B5R0.2 CCSCCN Z3061111063 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.2 CNCCCO Z104756980 [1,0,0,0,0,0|1,0,0]=2 58 B5R0.2 CNCCOC Z1259162131 [1,0,0,0,0,0|1,1,0]=3 59 B5R0.2 CNCCSC Z1398461959 [1,0,0,0,0,0|1,0,0]=2 60 B5R0.2 COCCC#N Z277467992 [1,0,0,0,0,0|1,1,1]=4 61 B5R0.2 COCCCO Z431517702 [1,0,0,0,0,0|0,1,0]=2 62 B5R0.2 COCCOC Z104473014 [1,0,0,0,0,0|1,1,0]=3 63 B5R0.2 N#CCCCN Z1649677743 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.2 N#CCCCO Z385458622 [1,0,0,0,0,0|1,0,1]=3 65 B5R0.2 NCCCCF Z2177031126 [1,0,0,0,0,0|2,0,0]=3 66 B5R0.2 NCCCCN Z104472592 [1,0,0,0,0,0|2,0,0]=3 67 B5R0.2 OC/C=C/CO Z237581088 [1,0,0,0,0,0|0,1,2]=4 68 B7R0.1 C#CCOCCCN Z4502872707 [0,1,0,0,0,0|2,0,1]=4 69 B7R0.1 CC#CCCCCO Z1233226212 [0,1,0,0,0,0|1,0,0]=2 70 B7R0.1 CCCCCCCO Z104473596 [0,1,0,0,0,0|1,0,0]=2 71 B7R0.1 CCCCCCNC Z5419328797 [0,1,0,0,0,0|2,0,0]=3 72 B7R0.1 CCCCOCCN Z409191398 [0,1,0,0,0,0|2,0,0]=3 73 B7R0.1 CCCOCCCO Z1080358966 [0,1,0,0,0,0|1,0,0]=2 74 B7R0.1 CCNCCOCC Z138138014 [0,1,0,0,0,0|2,1,0]=4 75 B7R0.1 CCOCCCC#N Z295205414 [0,1,0,0,0,0|1,1,1]=4 76 B7R0.1 CCOCCCCO Z993012560 [0,1,0,0,0,0|0,1,0]=2 77 B7R0.1 CCSCCCC#N Z332378682 [0,1,0,0,0,0|1,0,1]=3 78 B7R0.1 CNCCCCCN Z4097840720 [0,1,0,0,0,0|2,0,0]=3 79 B7R0.1 CNCCCCOC Z875082126 [0,1,0,0,0,0|1,0,0]=2 80 B7R0.1 COCCCCC#N Z815260498 [0,1,0,0,0,0|1,1,0]=3 81 B7R0.1 COCCCCCN Z608347192 [0,1,0,0,0,0|1,1,0]=3 82 B7R0.1 COCCCCCO Z993012416 [0,1,0,0,0,0|0,1,0]=2 83 B7R0.1 COCCNCCF Z2512872814 [0,1,0,0,0,0|1,1,0]=3 84 B7R0.1 COCCNCCN Z2940670642 [0,1,0,0,0,0|1,1,0]=3 85 B7R0.1 COCCNCCO Z266088374 [0,1,0,0,0,0|0,1,0]=2 86 B7R0.1 COCCOCC#N Z295206426 [0,1,0,0,0,0|1,1,1]=4 87 B7R0.1 COCCOCCN Z285178622 [0,1,0,0,0,0|1,1,0]=3 88 B7R0.1 COCCOCCO Z849748688 [0,1,0,0,0,0|0,1,0]=2 89 B7R0.1 CSCCCCC#N Z823282284 [0,1,0,0,0,0|1,0,0]=2 90 B7R0.1 CSCCCCCN Z823285026 [0,1,0,0,0,0|1,0,0]=2 91 B7R0.1 CSCCCCCO Z968557058 [0,1,0,0,0,0|0,0,0]=1 92 B7R0.1 CSCCCCSC Z1198148193 [0,1,0,0,0,0|0,1,0]=2 93 B7R0.1 CSCCCN=C=S Z104495408 [0,1,0,0,0,0|0,1,1]=3 94 B7R0.1 ClCCCNCCCl Z2242062238 [0,1,0,0,0,0|3,0,0]=4 95 B7R0.1 N#CCCNCCO Z53116581 [0,1,0,0,0,0|2,0,0]=3 96 B7R0.1 NCCCCCCN Z104473514 [0,1,0,0,0,0|2,0,0]=3 97 B7R0.1 NCCOCCCO Z2044949087 [0,1,0,0,0,0|2,0,0]=3 98 B7R0.1 NCCSCCCO Z406685362 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.1 OCCCCCCBr Z1255398867 [0,1,0,0,0,0|1,0,0]=2 100 B7R0.1 OCCCCCCO Z104473540 [0,1,0,0,0,0|1,0,0]=2 101 B7R0.1 OCCCNCCO Z104654390 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.1 OCCCOCCO Z1373668758 [0,1,0,0,0,0|2,0,0]=3 103 B7R0.1 OCCCSCCO Z149155194 [0,1,0,0,0,0|2,0,0]=3 104 B7R0.1 OCCSSCCO Z1255415413 [0,1,0,0,0,0|3,0,0]=4 105 B7R0.3 C/C=C/CC(N)CO Z1718361642 [0,1,0,0,0,0|1,0,1]=3 106 B7R0.3 CC(CN)CCCO Z2234185702 [0,1,0,0,0,0|2,0,0]=3 107 B7R0.3 CCC(C)NCCO Z335251014 [0,1,0,0,0,0|2,0,0]=3 108 B7R0.3 CCC(N)CCOC Z818738108 [0,1,0,0,0,0|1,1,0]=3 109 B7R0.3 CCC(O)CCCN Z1259162031 [0,1,0,0,0,0|2,0,0]=3 110 B7R0.3 CCCCC(=O)CC Z406378226 [0,1,0,0,0,0|2,0,1]=4 111 B7R0.3 CCCCC(C)NC Z446022384 [0,1,0,0,0,0|2,0,0]=3 112 B7R0.3 CCCCC(N)CC Z3303777618 [0,1,0,0,0,0|2,0,0]=3 113 B7R0.3 CCCCC(N)CN Z756921038 [0,1,0,0,0,0|2,0,0]=3 114 B7R0.3 CCNCC(C)CC Z335456758 [0,1,0,0,0,0|3,0,0]=4 115 B7R0.3 CCNCC(O)CC Z600449680 [0,1,0,0,0,0|3,0,0]=4 116 B7R0.3 CCOCC(O)CN Z271097110 [0,1,0,0,0,0|3,0,0]=4 117 B7R0.3 CCOCC(O)CO Z1178483452 [0,1,0,0,0,0|2,0,0]=3 118 B7R0.3 CCSCC(C)NC Z1238713281 [0,1,0,0,0,0|3,0,0]=4 119 B7R0.3 CNC(=O)CCCN Z451350656 [0,1,0,0,0,0|2,0,1]=4 120 B7R0.3 CNC(=O)NCCO Z177090556 [0,1,0,0,0,0|2,0,1]=4 121 B7R0.3 CNC(=O)OCCO Z1198150357 [0,1,0,0,0,0|2,0,1]=4 122 B7R0.3 COCCC(C)CN Z879061310 [0,1,0,0,0,0|1,1,0]=3 123 B7R0.4 C=CCCCC(=O)O Z1205493561 [0,1,0,0,0,0|1,0,2]=4 124 B7R0.4 CC#CCCC(=O)O Z1205493674 [0,1,0,0,0,0|1,0,2]=4 125 B7R0.4 CC(=O)NCCCN Z295405102 [0,1,0,0,0,0|3,0,0]=4 126 B7R0.4 CC(=O)NCCCO Z353570744 [0,1,0,0,0,0|2,0,0]=3 127 B7R0.4 CC(C)C/C=C/CO Z1813145997 [0,1,0,0,0,0|1,0,2]=4 128 B7R0.4 CC(C)CCCCN Z1250132304 [0,1,0,0,0,0|2,0,0]=3 129 B7R0.4 CC(C)CNCCO Z3269089575 [0,1,0,0,0,0|2,0,0]=3 130 B7R0.4 CC(C)COCCN Z594038266 [0,1,0,0,0,0|3,0,0]=4 131 B7R0.4 CC(C)CSCCN Z1520645037 [0,1,0,0,0,0|3,0,0]=4 132 B7R0.4 CC(C)NCCCO Z56799938 [0,1,0,0,0,0|2,0,0]=3 133 B7R0.4 CC(C)OCCCN Z2677507870 [0,1,0,0,0,0|3,0,0]=4 134 B7R0.4 CC(C)OCCCO Z1080358780 [0,1,0,0,0,0|2,0,0]=3 135 B7R0.4 CC(N)CCCCN Z2186882580 [0,1,0,0,0,0|2,0,0]=3 136 B7R0.4 CC(N)CCCCO Z2234185667 [0,1,0,0,0,0|1,0,0]=2 137 B7R0.4 CCCCCC(=N)N Z3490473907 [0,1,0,0,0,0|2,0,1]=4 138 B7R0.4 CCCCCC(=O)O Z104503532 [0,1,0,0,0,0|1,0,1]=3 139 B7R0.4 CCCCCC(C)N Z104495176 [0,1,0,0,0,0|2,0,0]=3 140 B7R0.4 CCCNCC(=O)O Z744582718 [0,1,0,0,0,0|2,0,1]=4 141 B7R0.4 CCCNCC(C)C Z90518190 [0,1,0,0,0,0|3,0,0]=4 142 B7R0.4 CCCNCC(F)F Z1262250827 [0,1,0,0,0,0|3,0,0]=4 143 B7R0.4 CCCOCC(=O)O Z406677750 [0,1,0,0,0,0|2,0,1]=4 144 B7R0.4 CCCSCC(=O)C Z447929234 [0,1,0,0,0,0|3,0,0]=4 145 B7R0.4 CCCSCC(=O)O Z228425458 [0,1,0,0,0,0|2,0,1]=4 146 B7R0.4 CCNCCC(=O)O Z1869802098 [0,1,0,0,0,0|2,0,1]=4 147 B7R0.4 CCOCCC(=O)O Z316258938 [0,1,0,0,0,0|2,0,1]=4 148 B7R0.4 CCSCCC(=O)O Z197206046 [0,1,0,0,0,0|2,0,1]=4 149 B7R0.4 CN(C)CCCC#N Z168912116 [0,1,0,0,0,0|2,0,1]=4 150 B7R0.4 CN(C)CCCCN Z285162754 [0,1,0,0,0,0|2,0,0]=3 151 B7R0.4 CNCCCC(=O)O Z57043473 [0,1,0,0,0,0|1,0,1]=3 152 B7R0.4 CNCCCN(C)C Z138118060 [0,1,0,0,0,0|3,0,0]=4 153 B7R0.4 COCCCC(=N)N Z1267882086 [0,1,0,0,0,0|1,1,1]=4 154 B7R0.4 COCCCC(=O)C Z406376722 [0,1,0,0,0,0|0,1,2]=4 155 B7R0.4 COCCCC(=O)O Z316258912 [0,1,0,0,0,0|0,1,1]=3 156 B7R0.4 COCCCC(C)O Z854048762 [0,1,0,0,0,0|0,1,0]=2 157 B7R0.4 COCCCN(C)C Z2894648941 [0,1,0,0,0,0|2,1,0]=4 158 B7R0.4 CSCCCC(=O)O Z54602911 [0,1,0,0,0,0|0,0,1]=2 159 B7R0.4 N#CCCCC(=O)O Z1198152304 [0,1,0,0,0,0|2,0,1]=4 160 B7R0.4 NC(=O)COCCO Z1198148880 [0,1,0,0,0,0|3,0,0]=4 161 B7R0.4 NC(=O)NCCCO Z198194722 [0,1,0,0,0,0|3,0,0]=4 162 B7R0.4 NCCCCC(=O)N Z1639630947 [0,1,0,0,0,0|3,0,0]=4 163 B7R0.4 NCCCCC(=O)O Z271111992 [0,1,0,0,0,0|2,0,1]=4 164 B7R0.4 NCCCCC(F)F Z4580667156 [0,1,0,0,0,0|3,0,0]=4 165 B7R0.4 O=C(O)CCCCBr Z104479696 [0,1,0,0,0,0|2,0,1]=4 166 B7R0.4 O=C(O)CCCCS Z808230828 [0,1,0,0,0,0|2,0,1]=4 167 B7R0.4 O=C(O)CNCCO Z425411352 [0,1,0,0,0,0|3,0,0]=4 168 B7R0.4 O=C([O-])CCCCO Z2335631573 [0,1,0,0,0,0|2,0,0]=3 169 B7R0.4 O=C([O-])COCCO Z1744715804 [0,1,0,0,0,0|3,0,0]=4 170 B7R0.4 OCCNCC(F)F Z608352548 [0,1,0,0,0,0|3,0,0]=4 171 B7R0.4 OCCOCC(F)F Z1251415632 [0,1,0,0,0,0|3,0,0]=4 172 B7R0.7 C#CCC(N)COC Z969112126 [0,1,0,0,0,0|1,1,1]=4 173 B7R0.7 C#CCN(C)CCO Z137708158 [0,1,0,0,0,0|2,0,1]=4 174 B7R0.7 CCCC(C)CCN Z2768767726 [0,1,0,0,0,0|2,0,0]=3 175 B7R0.7 CCCC(C)CNC Z3214687920 [0,1,0,0,0,0|2,0,0]=3 176 B7R0.7 CCCC(O)CCO Z1198158209 [0,1,0,0,0,0|1,0,0]=2 177 B7R0.7 CCNC(=O)CCO Z975909368 [0,1,0,0,0,0|2,0,1]=4 178 B7R0.7 CCNC(C)COC Z1245537976 [0,1,0,0,0,0|2,1,0]=4 179 B7R0.7 CCOC(=N)CSC Z4498865780 [0,1,0,0,0,0|2,0,1]=4 180 B7R0.7 CNCC(C)COC Z905006554 [0,1,0,0,0,0|2,1,0]=4 181 B7R0.7 CNCC(O)COC Z406679976 [0,1,0,0,0,0|2,1,0]=4 182 B7R0.7 COCC(N)CCO Z1238548168 [0,1,0,0,0,0|0,1,0]=2 183 B7R0.7 COCC(O)CCN Z1182310348 [0,1,0,0,0,0|1,1,0]=3 184 B7R0.7 NCCC(N)CCN Z4461966452 [0,1,0,0,0,0|3,0,0]=4 185 B7R0.7 NCCC(O)CCN Z4497194547 [0,1,0,0,0,0|3,0,0]=4 186 B7R1.1 BrCC1CCCO1 Z90660999 [0,0,0,1,0,0|2,0,0]=3 187 B7R1.1 C#CC1CCCN1 Z1203832764 [0,0,0,1,0,0|2,0,1]=4 188 B7R1.1 CCC1CCCN1 Z281773802 [0,0,0,1,0,0|2,0,0]=3 189 B7R1.1 CCC1CCNC1 Z1407004100 [0,0,0,1,0,0|2,0,0]=3 190 B7R1.1 CNC1CCCC1 Z102766802 [0,0,0,1,0,0|2,0,0]=3 191 B7R1.1 CNC1CCOC1 Z1079260566 [0,0,0,1,0,0|2,1,0]=4 192 B7R1.1 CNC1CCSC1 Z102767000 [0,0,0,1,0,0|2,0,0]=3 193 B7R1.1 COC1=NCCC1 Z147641734 [0,0,0,1,0,0|1,1,1]=4 194 B7R1.1 CO[C@@H]1CCNC1 Z1335657682 [0,0,0,1,0,0|2,1,0]=4 195 B7R1.1 CO[C@H]1CCNC1 Z1335657810 [0,0,0,1,0,0|2,1,0]=4 196 B7R1.1 CSC1=NCCN1 Z56790627 [0,0,0,1,0,0|2,0,1]=4 197 B7R1.1 ClCC1CCCO1 Z56893271 [0,0,0,1,0,0|2,0,0]=3 198 B7R1.1 FCC1CCCN1 Z2216711551 [0,0,0,1,0,0|3,0,0]=4 199 B7R1.1 N#CC1CCCC1 Z285131394 [0,0,0,1,0,0|2,0,1]=4 200 B7R1.1 N#CC1CCCO1 Z1079178976 [0,0,0,1,0,0|2,0,0]=3 201 B7R1.1 N#CC1CCCS1 Z1201681638 [0,0,0,1,0,0|2,1,0]=4 202 B7R1.1 N#CC1CCNC1 Z2679312473 [0,0,0,1,0,0|2,0,1]=4 203 B7R1.1 N#CC1CCOC1 Z605647006 [0,0,0,1,0,0|1,1,1]=4 204 B7R1.1 NCC1C=CCC1 Z2768196818 [0,0,0,1,0,0|2,0,1]=4 205 B7R1.1 NCC1CC=CC1 Z2310699469 [0,0,0,1,0,0|2,0,1]=4 206 B7R1.1 NCC1CCCC1 Z367452206 [0,0,0,1,0,0|2,0,0]=3 207 B7R1.1 NCC1CCCS1 Z1201677924 [0,0,0,1,0,0|2,1,0]=4 208 B7R1.1 NCC1COCO1 Z2298138033 [0,0,0,1,0,0|2,1,0]=4 209 B7R1.1 NC[C@@H]1CCCN1 Z3235020468 [0,0,0,1,0,0|3,0,0]=4 210 B7R1.1 NC[C@H]1CCCN1 Z1483956794 [0,0,0,1,0,0|3,0,0]=4 211 B7R1.1 NNC1CCCC1 Z285139110 [0,0,0,1,0,0|3,0,0]=4 212 B7R1.1 O=CC1CCCC1 Z875036058 [0,0,0,1,0,0|1,0,2]=4 213 B7R1.1 O=CC1CCOC1 Z199056102 [0,0,0,1,0,0|0,1,2]=4 214 B7R1.1 O=CC1CCSC1 Z1201681645 [0,0,0,1,0,0|0,0,2]=3 215 B7R1.1 OCC1CC=CC1 Z1201622687 [0,0,0,1,0,0|1,0,1]=3 216 B7R1.1 OCC1CCCC1 Z397587414 [0,0,0,1,0,0|1,0,0]=2 217 B7R1.1 OCC1CCCN1 Z825308062 [0,0,0,1,0,0|2,0,0]=3 218 B7R1.1 OCC1CCCS1 Z1201679857 [0,0,0,1,0,0|2,0,0]=3 219 B7R1.1 OCC1CCNC1 Z976722188 [0,0,0,1,0,0|1,0,0]=2 220 B7R1.1 OCC1CCOC1 Z335245192 [0,0,0,1,0,0|0,1,0]=2 221 B7R1.1 OCC1CCSC1 Z1201679855 [0,0,0,1,0,0|0,0,0]=1 222 B7R1.1 OC[C@@H]1CCCN1 Z1123715411 [0,0,0,1,0,0|2,0,0]=3 223 B7R1.3 CC1=CCCNC1 Z2143573194 [0,0,0,1,0,0|3,0,0]=4 224 B7R1.3 CC1CNCCN1 Z104480242 [0,0,0,1,0,0|3,0,0]=4 225 B7R1.3 CC1CNCCO1 Z204013884 [0,0,0,1,0,0|2,0,0]=3 226 B7R1.3 CC1CNCCS1 Z334686272 [0,0,0,1,0,0|2,1,0]=4 227 B7R1.3 CC1COCCN1 Z336087928 [0,0,0,1,0,0|2,1,0]=4 228 B7R1.3 CC1CSCCN1 Z334686282 [0,0,0,1,0,0|2,0,0]=3 229 B7R1.3 CN1CCNCC1 Z57834041 [0,0,0,1,0,0|3,0,0]=4 230 B7R1.3 C[C@H]1CCCNC1 Z1895741201 [0,0,0,1,0,0|2,0,0]=3 231 B7R1.3 C[C@H]1CNCCN1 Z1187834254 [0,0,0,1,0,0|3,0,0]=4 232 B7R1.3 FC1CCNCC1 Z1741960061 [0,0,0,1,0,0|3,0,0]=4 233 B7R1.3 NC1=NCCCC1 Z1723418848 [0,0,0,1,0,0|3,0,0]=4 234 B7R1.3 NC1C=CCCC1 Z1203579654 [0,0,0,1,0,0|2,0,1]=4 235 B7R1.3 NC1CCCCC1 Z1945707495 [0,0,0,1,0,0|2,0,0]=3 236 B7R1.3 NC1CCCOC1 Z1013492300 [0,0,0,1,0,0|1,1,0]=3 237 B7R1.3 NC1CCCSC1 Z1029463244 [0,0,0,1,0,0|1,0,0]=2 238 B7R1.3 NC1CCOCC1 Z600428352 [0,0,0,1,0,0|3,0,0]=4 239 B7R1.3 NC1CCSCC1 Z992716928 [0,0,0,1,0,0|3,0,0]=4 240 B7R1.3 O=C1CCCCC1 Z104474256 [0,0,0,1,0,0|1,0,2]=4 241 B7R1.3 O=C1CCCCN1 Z168817684 [0,0,0,1,0,0|3,0,0]=4 242 B7R1.3 O=C1CCCCO1 Z432085120 [0,0,0,1,0,0|2,0,0]=3 243 B7R1.3 O=C1CCCCS1 Z1726147018 [0,0,0,1,0,0|2,1,0]=4 244 B7R1.3 O=C1CCCNC1 Z3063726909 [0,0,0,1,0,0|1,0,2]=4 245 B7R1.3 O=C1CCCSC1 Z979714552 [0,0,0,1,0,0|0,0,2]=3 246 B7R1.3 O=C1CSCCN1 Z337709368 [0,0,0,1,0,0|1,0,2]=4 247 B7R1.3 O=C1CSCSC1 Z1251333166 [0,0,0,1,0,0|1,0,2]=4 248 B7R1.3 O=C1NCCCO1 Z1198312172 [0,0,0,1,0,0|3,0,0]=4 249 B7R1.3 OC1CCCCC1 Z104473498 [0,0,0,1,0,0|1,0,0]=2 250 B7R1.3 OC1CCCSC1 Z993818972 [0,0,0,1,0,0|0,0,0]=1 251 B7R1.3 OC1CCNCC1 Z56347197 [0,0,0,1,0,0|2,0,0]=3 252 B7R1.3 OC1CCOCC1 Z1359429523 [0,0,0,1,0,0|2,0,0]=3 253 B7R1.3 OC1CCONC1 Z3325124334 [0,0,0,1,0,0|2,0,0]=3 254 B7R1.3 OC1CNCCO1 Z1428160315 [0,0,0,1,0,0|2,0,0]=3 255 B7R1.3 OC1COCOC1 Z431564488 [0,0,0,1,0,0|1,1,0]=3 256 B7R1.4 CC1CCCC1=O Z813018382 [0,0,0,1,0,0|1,0,2]=4 257 B7R1.4 CC1CCCC1N Z1219738990 [0,0,0,1,0,0|2,0,0]=3 258 B7R1.4 CC1CCNC1C Z1335657674 [0,0,0,1,0,0|3,0,0]=4 259 B7R1.4 CC1CNCC1C Z1281657986 [0,0,0,1,0,0|3,0,0]=4 260 B7R1.4 CC1SCCC1N Z2408712737 [0,0,0,1,0,0|3,0,0]=4 261 B7R1.4 CN1CCCC1=O Z104478382 [0,0,0,1,0,0|1,0,2]=4 262 B7R1.4 C[C@@H]1CCC[C@@H]1N Z2309845262 [0,0,0,1,0,0|2,0,0]=3 263 B7R1.4 C[C@@H]1CCC[C@H]1N Z2568757690 [0,0,0,1,0,0|2,0,0]=3 264 B7R1.4 C[C@@H]1CNC[C@@H]1O Z2309845194 [0,0,0,1,0,0|2,0,0]=3 265 B7R1.4 C[C@@H]1NCC[C@H]1O Z2235678880 [0,0,0,1,0,0|2,0,0]=3 266 B7R1.4 C[C@H]1OCC[C@H]1N Z2186882122 [0,0,0,1,0,0|3,0,0]=4 267 B7R1.4 N[C@@H]1CCC[C@@H]1O Z2306841441 [0,0,0,1,0,0|2,0,0]=3 268 B7R1.4 N[C@@H]1CCC[C@H]1N Z2786079696 [0,0,0,1,0,0|3,0,0]=4 269 B7R1.4 N[C@@H]1CCC[C@H]1O Z2256393934 [0,0,0,1,0,0|2,0,0]=3 270 B7R1.4 N[C@@H]1CSC[C@@H]1O Z3068057819 [0,0,0,1,0,0|3,0,0]=4 271 B7R1.4 N[C@H]1CCC[C@@H]1O Z1197994837 [0,0,0,1,0,0|2,0,0]=3 272 B7R1.4 O=C1CCCC1Cl Z104492966 [0,0,0,1,0,0|3,0,0]=4 273 B7R1.4 OC1CCCC1O Z600452564 [0,0,0,1,0,0|2,0,0]=3 274 B7R1.4 OC1CNCC1O Z1147229592 [0,0,0,1,0,0|3,0,0]=4 275 B7R1.4 O[C@@H]1CNC[C@H]1F Z2307368320 [0,0,0,1,0,0|3,0,0]=4 276 B7R1.4 O[C@@H]1CNC[C@H]1O Z2309778206 [0,0,0,1,0,0|3,0,0]=4 277 B7R1.4 O[C@H]1CNC[C@H]1O Z1318268689 [0,0,0,1,0,0|3,0,0]=4 278 B7R1.5 CC1CC1CCN Z4888675966 [0,0,0,1,0,0|2,0,0]=3 279 B7R1.5 CCC[C@@H]1C[C@H]1N Z2298098035 [0,0,0,1,0,0|2,0,0]=3 280 B7R1.5 CNCC1CC1C Z3752925195 [0,0,0,1,0,0|2,0,0]=3 281 B7R1.6 CCCC1CNC1 Z2310679174 [0,0,0,1,0,0|2,0,0]=3 282 B7R1.6 CCNC1CCC1 Z2144245483 [0,0,0,1,0,0|3,0,0]=4 283 B7R1.6 CNCC1CCC1 Z1692482598 [0,0,0,1,0,0|2,0,0]=3 284 B7R1.6 COCC1CCN1 Z2213893372 [0,0,0,1,0,0|1,1,0]=3 285 B7R1.6 N#CCC1CCC1 Z1198184443 [0,0,0,1,0,0|2,0,1]=4 286 B7R1.6 N#CCC1CNC1 Z2512942957 [0,0,0,1,0,0|2,0,1]=4 287 B7R1.6 NCCC1CCC1 Z1405445718 [0,0,0,1,0,0|2,0,0]=3 288 B7R1.6 NCCN1CCC1 Z1203582961 [0,0,0,1,0,0|3,0,0]=4 289 B7R1.6 O=CCC1CCC1 Z1198184444 [0,0,0,1,0,0|1,0,2]=4 290 B7R1.6 O=CCC1COC1 Z1511884358 [0,0,0,1,0,0|0,1,2]=4 291 B7R1.7 C=CCCC1CO1 Z1255485443 [0,0,0,1,0,0|1,0,1]=3 292 B7R1.7 CCCCC1CO1 Z1020679810 [0,0,0,1,0,0|1,0,0]=2 293 B7R1.7 CCNCC1CC1 Z1692483163 [0,0,0,1,0,0|3,0,0]=4 294 B7R1.7 CCOCC1CO1 Z271128258 [0,0,0,1,0,0|2,0,0]=3 295 B7R1.7 CNCCC1CC1 Z1480642691 [0,0,0,1,0,0|2,0,0]=3 296 B7R1.7 COCCC1CO1 Z1495386141 [0,0,0,1,0,0|0,1,0]=2 297 B7R1.7 FCCNC1CC1 Z5629279666 [0,0,0,1,0,0|3,0,0]=4 298 B7R1.7 NCCCC1CC1 Z2465611603 [0,0,0,1,0,0|2,0,0]=3 299 B7R1.7 NCCNC1CC1 Z756920128 [0,0,0,1,0,0|3,0,0]=4 300 B7R1.7 NCCOC1CC1 Z2786559006 [0,0,0,1,0,0|3,0,0]=4 301 B7R1.7 O=CCCC1CC1 Z1233208002 [0,0,0,1,0,0|1,0,2]=4 302 B7R1.7 OCCNC1CC1 Z285050134 [0,0,0,1,0,0|2,0,0]=3 303 B7R1.8 CN[C@@H]1CC[C@H]1O Z2678247023 [0,0,0,1,0,0|1,0,0]=2 304 B7R1.8 CO[C@@H]1CC[C@H]1N Z2311224799 [0,0,0,1,0,0|1,1,0]=3 305 B7R1.9 CCC1CC1C=O Z1513989944 [0,0,0,1,0,0|1,0,2]=4 306 B7R1.9 CC[C@@H]1C[C@H]1C=O Z3300760890 [0,0,0,1,0,0|1,0,2]=4 307 B7R1.9 CC[C@@H]1C[C@H]1CN Z2235810238 [0,0,0,1,0,0|2,0,0]=3 308 B7R1.24 C1CCCNCC1 Z57127566 [0,0,0,1,0,0|2,0,0]=3 309 B7R1.24 C1CCNOCC1 Z1824482753 [0,0,0,1,0,0|2,0,0]=3 310 B7R1.24 C1CNCCOC1 Z359510198 [0,0,0,1,0,0|2,0,0]=3 311 B7R1.24 C1CNCCSC1 Z1954803255 [0,0,0,1,0,0|2,0,0]=3 312 B7R1.24 C1CSSCCN1 Z1203735354 [0,0,0,1,0,0|3,0,0]=4 313 B4R0.2 CCCC#N Z238878246 [2,0,0,0,0,0|1,0,1]=4 314 B4R0.2 CCCCN Z104474314 [2,0,0,0,0,0|1,0,0]=3 315 B4R0.2 CCCCO Z104473488 [2,0,0,0,0,0|0,0,0]=2 316 B4R0.2 CCCNN Z415728048 [2,0,0,0,0,0|2,0,0]=4 317 B4R0.2 COCCO Z104473522 [2,0,0,0,0,0|0,1,0]=3 318 B4R0.2 CSCCO Z149154880 [2,0,0,0,0,0|0,0,0]=2 319 B4R0.2 NCCCN Z104478068 [2,0,0,0,0,0|2,0,0]=4 320 B4R0.2 NCCCO Z56771034 [2,0,0,0,0,0|1,0,0]=3 321 B6R0.1 C#CCC(N)CC Z969111798 [1,1,0,0,0,0|1,0,1]=4 322 B6R0.1 C=CCC(N)CC Z1981870426 [1,1,0,0,0,0|1,0,1]=4 323 B6R0.1 C=CCC(N)CO Z1815149150 [1,1,0,0,0,0|0,0,2]=4 324 B6R0.1 C=CCC(O)CC Z808662120 [1,1,0,0,0,0|1,0,1]=4 325 B6R0.1 CC(CN)CCO Z1203581915 [1,1,0,0,0,0|1,0,0]=3 326 B6R0.1 CC(CO)CCN Z5410631465 [1,1,0,0,0,0|1,0,0]=3 327 B6R0.1 CCC(=O)COC Z825742020 [1,1,0,0,0,0|0,1,1]=4 328 B6R0.1 CCC(C)CNC Z1266854907 [1,1,0,0,0,0|1,0,0]=3 329 B6R0.1 CCC(N)CCO Z1258578227 [1,1,0,0,0,0|0,0,0]=2 330 B6R0.1 CCC(N)COC Z825742260 [1,1,0,0,0,0|0,1,0]=3 331 B6R0.1 CCC(O)CCN Z406342052 [1,1,0,0,0,0|1,0,0]=3 332 B6R0.1 CCC(O)CCO Z1198157972 [1,1,0,0,0,0|0,0,0]=2 333 B6R0.1 CCCC(=O)CN Z1203579017 [1,1,0,0,0,0|1,0,1]=4 334 B6R0.1 CCCC(=O)NO Z59181937 [1,1,0,0,0,0|1,0,1]=4 335 B6R0.1 CCCC(C)C#N Z415654768 [1,1,0,0,0,0|1,0,1]=4 336 B6R0.1 CCCC(C)NC Z394693580 [1,1,0,0,0,0|1,0,0]=3 337 B6R0.1 CCCC(N)C#N Z398513448 [1,1,0,0,0,0|1,0,1]=4 338 B6R0.1 CCCC(N)CC Z1642389626 [1,1,0,0,0,0|1,0,0]=3 339 B6R0.1 CCCC(N)CN Z425861040 [1,1,0,0,0,0|1,0,0]=3 340 B6R0.1 CCCC(O)CN Z419084742 [1,1,0,0,0,0|1,0,0]=3 341 B6R0.1 CCNC(=O)CO Z431952024 [1,1,0,0,0,0|1,0,1]=4 342 B6R0.1 CCNC(C)CC Z2509351098 [1,1,0,0,0,0|2,0,0]=4 343 B6R0.1 CCOC(=O)CO Z385458066 [1,1,0,0,0,0|1,0,1]=4 344 B6R0.1 CCOC(C)CN Z844631802 [1,1,0,0,0,0|2,0,0]=4 345 B6R0.1 CCS(=O)CCN Z1266854910 [1,1,0,0,0,0|2,0,0]=4 346 B6R0.1 CNC(=O)CCO Z975909370 [1,1,0,0,0,0|1,0,1]=4 347 B6R0.1 CNC(C)CCO Z1198266877 [1,1,0,0,0,0|1,0,0]=3 348 B6R0.1 CNC(C)COC Z815264298 [1,1,0,0,0,0|1,1,0]=4 349 B6R0.1 CNC(C)CSC Z995116552 [1,1,0,0,0,0|1,0,0]=3 350 B6R0.1 CNCC(C)OC Z2065788390 [1,1,0,0,0,0|1,1,0]=4 351 B6R0.1 CNC[C@H](O)CO Z600533638 [1,1,0,0,0,0|1,0,0]=3 352 B6R0.1 COC(C)CCN Z802903932 [1,1,0,0,0,0|1,1,0]=4 353 B6R0.1 COCC(C)CO Z1192375999 [1,1,0,0,0,0|0,1,0]=3 354 B6R0.1 COCC(N)CN Z1203580237 [1,1,0,0,0,0|1,1,0]=4 355 B6R0.1 COCC(N)CO Z1945984156 [1,1,0,0,0,0|0,1,0]=3 356 B6R0.1 COCC(O)CN Z271097108 [1,1,0,0,0,0|1,1,0]=4 357 B6R0.1 CSC(C)CCN Z732208464 [1,1,0,0,0,0|1,0,0]=3 358 B6R0.1 CSC(C)CCO Z1262258908 [1,1,0,0,0,0|0,0,0]=2 359 B6R0.1 CSCC(C)CN Z732208434 [1,1,0,0,0,0|1,0,0]=3 360 B6R0.1 CSCC(C)CO Z1270310211 [1,1,0,0,0,0|0,0,0]=2 361 B6R0.1 CSCC(O)CO Z1126770422 [1,1,0,0,0,0|0,0,0]=2 362 B6R0.1 NCC[C@H](F)CN Z4607150940 [1,1,0,0,0,0|2,0,0]=4 363 B6R0.4 C#CCCC(C)O Z854048672 [1,1,0,0,0,0|0,0,2]=4 364 B6R0.4 C=CCCC(C)N Z3681295487 [1,1,0,0,0,0|1,0,1]=4 365 B6R0.4 CC#CCC(C)N Z975788700 [1,1,0,0,0,0|1,0,1]=4 366 B6R0.4 CC(C)CCCN Z992716898 [1,1,0,0,0,0|1,0,0]=3 367 B6R0.4 CC(C)NCCN Z3375885739 [1,1,0,0,0,0|2,0,0]=4 368 B6R0.4 CC(C)NCCO Z137800940 [1,1,0,0,0,0|1,0,0]=3 369 B6R0.4 CC(C)OCCN Z1688198421 [1,1,0,0,0,0|2,0,0]=4 370 B6R0.4 CC(C)OCCO Z104478444 [1,1,0,0,0,0|1,0,0]=3 371 B6R0.4 CC(C)SCCN Z2092369402 [1,1,0,0,0,0|2,0,0]=4 372 B6R0.4 CC(N)CCCN Z2230911100 [1,1,0,0,0,0|1,0,0]=3 373 B6R0.4 CC(N)CCCO Z1203578676 [1,1,0,0,0,0|0,0,0]=2 374 B6R0.4 CC(O)CCCN Z1198178891 [1,1,0,0,0,0|1,0,0]=3 375 B6R0.4 CCCCB(O)O Z1147227739 [1,1,0,0,0,0|1,0,0]=3 376 B6R0.4 CCCCC(=N)N Z1723418909 [1,1,0,0,0,0|1,0,1]=4 377 B6R0.4 CCCCC(=O)N Z104476278 [1,1,0,0,0,0|0,0,2]=4 378 B6R0.4 CCCCC(=O)O Z104473312 [1,1,0,0,0,0|0,0,1]=3 379 B6R0.4 CCCCC(C)N Z3300506318 [1,1,0,0,0,0|1,0,0]=3 380 B6R0.4 CCCNC(=O)C Z33030314 [1,1,0,0,0,0|2,0,0]=4 381 B6R0.4 CCNCC(=O)O Z744593094 [1,1,0,0,0,0|1,0,1]=4 382 B6R0.4 CCNCC(C)C Z380844664 [1,1,0,0,0,0|2,0,0]=4 383 B6R0.4 CCNCC(C)O Z138692768 [1,1,0,0,0,0|1,0,0]=3 384 B6R0.4 CCNCC(F)F Z1691545150 [1,1,0,0,0,0|2,0,0]=4 385 B6R0.4 CCOCC(=O)O Z104495232 [1,1,0,0,0,0|1,0,1]=4 386 B6R0.4 CCOCC(C)N Z839575202 [1,1,0,0,0,0|2,0,0]=4 387 B6R0.4 CCSCC(C)N Z1203641186 [1,1,0,0,0,0|2,0,0]=4 388 B6R0.4 CNCCC(=O)C Z1536943318 [1,1,0,0,0,0|1,0,1]=4 389 B6R0.4 CNCCC(C)C Z607822512 [1,1,0,0,0,0|1,0,0]=3 390 B6R0.4 CNCCC(C)O Z1203731868 [1,1,0,0,0,0|1,0,0]=3 391 B6R0.4 CNCCN(C)C Z138123106 [1,1,0,0,0,0|2,0,0]=4 392 B6R0.4 COCCC(=O)C Z362119682 [1,1,0,0,0,0|0,1,1]=4 393 B6R0.4 COCCC(=O)O Z285184634 [1,1,0,0,0,0|0,1,1]=4 394 B6R0.4 COCCC(C)N Z361881180 [1,1,0,0,0,0|0,1,0]=3 395 B6R0.4 COCCC(C)O Z818738042 [1,1,0,0,0,0|0,1,0]=3 396 B6R0.4 COCCN(C)C Z5121096537 [1,1,0,0,0,0|1,1,0]=4 397 B6R0.4 CSCCC(=N)N Z1266823407 [1,1,0,0,0,0|1,0,1]=4 398 B6R0.4 CSCCC(=O)O Z54719251 [1,1,0,0,0,0|0,0,1]=3 399 B6R0.4 NC(=O)CCCO Z1203578394 [1,1,0,0,0,0|0,1,1]=4 400 B6R0.4 NCCCC(=O)O Z104475620 [1,1,0,0,0,0|1,0,1]=4 401 B6R0.4 NCCCC(F)F Z1198165810 [1,1,0,0,0,0|2,0,0]=4 402 B6R0.4 NCCCS(=O)O Z1203579399 [1,1,0,0,0,0|2,0,0]=4 403 B6R0.4 O=C(O)CCCS Z147642510 [1,1,0,0,0,0|0,0,1]=3 404 B8R0.1 C#CCC(N)CCOC Z969112102 [0,2,0,0,0,0|1,0,1]=4 405 B8R0.1 CNCCN(C)CCO Z2526438856 [0,2,0,0,0,0|1,0,0]=3 406 B8R0.1 COCCC(=O)COC Z992968820 [0,2,0,0,0,0|0,1,1]=4 407 B8R0.1 COCCN(C)CCN Z415691186 [0,2,0,0,0,0|1,1,0]=4 408 B8R0.1 COCCS(=O)CCN Z4500883985 [0,2,0,0,0,0|1,1,0]=4 409 B8R0.4 C#CCCCCCCN Z3847490647 [0,2,0,0,0,0|2,0,0]=4 410 B8R0.4 C#CCCCCCCO Z1198157198 [0,2,0,0,0,0|1,0,0]=3 411 B8R0.4 C#CCCNCCOC Z840366364 [0,2,0,0,0,0|1,0,1]=4 412 B8R0.4 C=CCCCCCCN Z1198263320 [0,2,0,0,0,0|2,0,0]=4 413 B8R0.4 CCCCCCCCO Z104473500 [0,2,0,0,0,0|1,0,0]=3 414 B8R0.4 CCCCCNCCO Z137800944 [0,2,0,0,0,0|1,0,0]=3 415 B8R0.4 CCCCNCCCC Z102766286 [0,2,0,0,0,0|2,0,0]=4 416 B8R0.4 CCCCNCCCO Z102766210 [0,2,0,0,0,0|1,0,0]=3 417 B8R0.4 CCNCCOCCN Z1323539868 [0,2,0,0,0,0|2,0,0]=4 418 B8R0.4 CCOCCOCCN Z2900987685 [0,2,0,0,0,0|1,1,0]=4 419 B8R0.4 COCCCNCCO Z382722010 [0,2,0,0,0,0|0,1,0]=3 420 B8R0.4 COCCNCCC#N Z53116037 [0,2,0,0,0,0|1,1,0]=4 421 B8R0.4 COCCNCCCN Z970105370 [0,2,0,0,0,0|1,1,0]=4 422 B8R0.4 COCCNCCOC Z104475212 [0,2,0,0,0,0|0,1,0]=3 423 B8R0.4 COCCOCCC#N Z317037866 [0,2,0,0,0,0|1,1,0]=4 424 B8R0.4 COCCOCCCO Z1080358808 [0,2,0,0,0,0|0,1,0]=3 425 B8R0.4 COCCOCCOC Z104473160 [0,2,0,0,0,0|0,1,0]=3 426 B8R0.4 NCCCCCCCN Z275166586 [0,2,0,0,0,0|2,0,0]=4 427 B8R0.4 NCCCCCCCO Z3016956569 [0,2,0,0,0,0|1,0,0]=3 428 B8R0.4 NCCCNCCCN Z1203577926 [0,2,0,0,0,0|2,0,0]=4 429 B8R0.4 OCCCNCCCO Z104684334 [0,2,0,0,0,0|1,0,0]=3 430 B8R0.6 CC(CO)CSCCO Z1270309408 [0,2,0,0,0,0|2,0,0]=4 431 B8R0.6 CCCCCC(=O)NO Z59181978 [0,2,0,0,0,0|1,0,1]=4 432 B8R0.6 CCSCCC(C)NC Z1238713350 [0,2,0,0,0,0|2,0,0]=4 433 B8R0.6 CNC(=O)CCCCN Z5282835224 [0,2,0,0,0,0|2,0,0]=4 434 B8R0.6 CNC(=O)NCCCO Z177090148 [0,2,0,0,0,0|1,0,1]=4 435 B8R0.6 CNCCCC(=O)OC Z415636552 [0,2,0,0,0,0|1,0,1]=4 436 B8R0.6 COC(=O)CCCCN Z854942764 [0,2,0,0,0,0|1,1,0]=4 437 B8R0.7 CC#CCCCC(=O)O Z1205494323 [0,2,0,0,0,0|1,0,1]=4 438 B8R0.7 CC(=O)CCCCC#N Z2350907379 [0,2,0,0,0,0|2,0,0]=4 439 B8R0.7 CC(=O)NCCCCN Z600498842 [0,2,0,0,0,0|2,0,0]=4 440 B8R0.7 CC(C)CCCCCO Z1198149583 [0,2,0,0,0,0|1,0,0]=3 441 B8R0.7 CC(C)CCNCCO Z102766092 [0,2,0,0,0,0|1,0,0]=3 442 B8R0.7 CC(C)CCOCCO Z608482468 [0,2,0,0,0,0|1,0,0]=3 443 B8R0.7 CC(C)COCCCO Z1080358758 [0,2,0,0,0,0|1,0,0]=3 444 B8R0.7 CC(C)CSCCCN Z57970257 [0,2,0,0,0,0|2,0,0]=4 445 B8R0.7 CC(C)OCCCCO Z993012606 [0,2,0,0,0,0|0,1,0]=3 446 B8R0.7 CCCCCCC(=N)N Z4088236340 [0,2,0,0,0,0|2,0,0]=4 447 B8R0.7 CCCCCCC(=O)O Z104474412 [0,2,0,0,0,0|1,0,0]=3 448 B8R0.7 CCCCCCC(C)N Z104477186 [0,2,0,0,0,0|2,0,0]=4 449 B8R0.7 CCCCOCC(=O)O Z409190912 [0,2,0,0,0,0|1,0,1]=4 450 B8R0.7 CCCCSCC(=O)O Z239951532 [0,2,0,0,0,0|1,0,1]=4 451 B8R0.7 CCCNCCC(=O)O Z2944330072 [0,2,0,0,0,0|1,0,1]=4 452 B8R0.7 CCCNCCN(C)C Z1250222486 [0,2,0,0,0,0|2,0,0]=4 453 B8R0.7 CCNCCCC(=O)O Z2937339976 [0,2,0,0,0,0|1,0,1]=4 454 B8R0.7 CCOCCCC(=O)O Z316258950 [0,2,0,0,0,0|0,1,1]=4 455 B8R0.7 CCSCCCC(=N)N Z1861964086 [0,2,0,0,0,0|1,0,1]=4 456 B8R0.7 CN(C)CCCCCN Z3247604067 [0,2,0,0,0,0|2,0,0]=4 457 B8R0.7 CN(C)CCCCCO Z968555516 [0,2,0,0,0,0|1,0,0]=3 458 B8R0.7 CN(C)CCNCCO Z137800968 [0,2,0,0,0,0|1,0,0]=3 459 B8R0.7 CNCCCCC(=O)O Z3034937142 [0,2,0,0,0,0|1,0,0]=3 460 B8R0.7 CNCCCCC(C)C Z5530305220 [0,2,0,0,0,0|2,0,0]=4 461 B8R0.7 CNCCCCN(C)C Z594229344 [0,2,0,0,0,0|2,0,0]=4 462 B8R0.7 COCCCCC(=O)O Z362633826 [0,2,0,0,0,0|0,1,0]=3 463 B8R0.7 COCCCOC(=O)C Z1123440688 [0,2,0,0,0,0|2,0,0]=4 464 B8R0.7 COCCNCC(=O)O Z1276446903 [0,2,0,0,0,0|0,1,1]=4 465 B8R0.7 COCCNCC(C)C Z90501879 [0,2,0,0,0,0|1,1,0]=4 466 B8R0.7 COCCNCC(F)F Z1262327544 [0,2,0,0,0,0|1,1,0]=4 467 B8R0.7 COCCOCC(=O)C Z447894346 [0,2,0,0,0,0|2,0,0]=4 468 B8R0.7 COCCOCC(=O)O Z104477918 [0,2,0,0,0,0|0,1,1]=4 469 B8R0.7 COCCOCC(C)N Z1262237318 [0,2,0,0,0,0|1,1,0]=4 470 B8R0.7 COCCSCC(=O)O Z167837764 [0,2,0,0,0,0|0,1,1]=4 471 B8R0.7 CSCCCCC(=O)O Z732206636 [0,2,0,0,0,0|0,0,0]=2 472 B8R0.7 CSCCNCC(=O)O Z2512524162 [0,2,0,0,0,0|0,0,1]=3 473 B8R0.7 N=C(N)SCCCCN Z4741653362 [0,2,0,0,0,0|1,0,1]=4 474 B8R0.7 NCCCCCC(=O)O Z1272730910 [0,2,0,0,0,0|1,0,1]=4 475 B8R0.7 O=C(O)CCCCCBr Z104477716 [0,2,0,0,0,0|1,0,1]=4 476 B8R0.7 O=C(O)CCCCCF Z1205494157 [0,2,0,0,0,0|1,0,1]=4 477 B8R0.7 O=C(O)CCNCCO Z53116574 [0,2,0,0,0,0|2,0,0]=4 478 B8R0.7 O=C([O-])CNCCCO Z5147896273 [0,2,0,0,0,0|2,0,0]=4 479 B8R0.7 OCCCOCC(F)F Z1532734938 [0,2,0,0,0,0|2,0,0]=4 480 B8R0.3 CCCC(C)C(N)CO Z2379035176 [0,2,0,0,0,0|1,0,0]=3 481 B8R0.8 CCCCC(C)C(=O)C Z727719632 [0,2,0,0,0,0|2,0,0]=4 482 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,2,0,0,0,0|1,0,1]=4 483 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,2,0,0,0,0|1,0,1]=4 484 B8R0.8 CCCCC(N)C(C)O Z2453175125 [0,2,0,0,0,0|1,0,0]=3 485 B8R0.8 CCCCC(O)C(=O)O Z803065156 [0,2,0,0,0,0|1,0,1]=4 486 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,2,0,0,0,0|1,0,1]=4 487 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,2,0,0,0,0|1,0,1]=4 488 B8R0.8 CN(C)C(=O)CCCO Z839108358 [0,2,0,0,0,0|1,0,1]=4 489 B8R0.8 COCCC(C)C(=O)O Z756390554 [0,2,0,0,0,0|0,1,1]=4 490 B8R0.8 COCCC(N)C(=O)O Z317025018 [0,2,0,0,0,0|0,1,1]=4 491 B8R0.8 COCCC(N)C(C)C Z4913680141 [0,2,0,0,0,0|1,1,0]=4 492 B8R0.8 COCCC(O)C(C)C Z818738034 [0,2,0,0,0,0|1,1,0]=4 493 B8R0.8 CSCCC(N)C(=O)O Z57127440 [0,2,0,0,0,0|0,0,1]=3 494 B8R0.8 CSCCC(O)C(=O)O Z788000926 [0,2,0,0,0,0|0,0,1]=3 495 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [0,2,0,0,0,0|0,0,1]=3 496 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [0,2,0,0,0,0|0,0,1]=3 497 B8R0.8 O=C([O-])C(O)CCCO Z2510259022 [0,2,0,0,0,0|2,0,0]=4 498 B8R0.9 CC(C)CCC(N)CO Z1198179431 [0,2,0,0,0,0|1,0,0]=3 499 B8R0.9 CC(C)CCC(O)CO Z1617994519 [0,2,0,0,0,0|1,0,0]=3 500 B8R0.9 CC(C)COC(C)CO Z1896289316 [0,2,0,0,0,0|2,0,0]=4 501 B8R0.9 CC(C)NCC(O)CO Z385465736 [0,2,0,0,0,0|2,0,0]=4 502 B8R0.9 CC(O)CNC(C)CO Z600449192 [0,2,0,0,0,0|2,0,0]=4 503 B8R0.9 CCC(C)CCC(=O)C Z955111260 [0,2,0,0,0,0|2,0,0]=4 504 B8R0.9 CCC(C)CCC(=O)O Z955111774 [0,2,0,0,0,0|1,0,1]=4 505 B8R0.9 CCC(O)CCC(C)C Z838962512 [0,2,0,0,0,0|2,0,0]=4 506 B8R0.9 CNC(C)CCC(C)C Z5023051600 [0,2,0,0,0,0|2,0,0]=4 507 B8R0.9 COC(C)CCC(=O)O Z963595334 [0,2,0,0,0,0|0,1,1]=4 508 B8R0.9 CSC(C)CCC(=O)O Z963595804 [0,2,0,0,0,0|0,0,1]=3 509 B8R0.11 CCC(CC)CCCN Z4958827133 [0,2,0,0,0,0|2,0,0]=4 510 B8R0.11 CCC(CC)CCCO Z1198265454 [0,2,0,0,0,0|1,0,0]=3 511 B8R0.11 CCC(CC)NCCO Z335251710 [0,2,0,0,0,0|2,0,0]=4 512 B8R0.11 CCN(CC)CCCO Z1675167178 [0,2,0,0,0,0|2,0,0]=4 513 B8R0.11 COC(CN)CCSC Z4918222120 [0,2,0,0,0,0|1,0,0]=3 514 B8R0.19 CC(CO)CC(C)CO Z1509057634 [0,2,0,0,0,0|2,0,0]=4 515 B8R0.19 CCC(C)CC(C)NC Z5008996647 [0,2,0,0,0,0|2,0,0]=4 516 B8R0.19 CCC(C)CC(N)CO Z1198179422 [0,2,0,0,0,0|1,0,0]=3 517 B8R0.19 CCC(N)CC(C)CO Z1270456881 [0,2,0,0,0,0|1,0,0]=3 518 B8R0.25 CC(C)(CN)CCCO Z1251362804 [0,2,0,0,0,0|2,0,0]=4 519 B8R0.25 CC(C)(CO)CCC#N Z1198321316 [0,2,0,0,0,0|2,0,0]=4 520 B8R0.25 CC(C)(CO)CCCN Z1203160200 [0,2,0,0,0,0|2,0,0]=4 521 B8R0.25 CCCCC(C)(N)CO Z2379804923 [0,2,0,0,0,0|1,0,0]=3 522 B8R0.25 CCNCC(C)(C)CO Z1203746234 [0,2,0,0,0,0|2,0,0]=4 523 B8R0.25 COCCC(C)(O)CN Z879074216 [0,2,0,0,0,0|1,1,0]=4 524 B8R0.25 CSCCC(C)(N)C#N Z2065464352 [0,2,0,0,0,0|1,0,1]=4 525 B8R0.5 CC(C)CC(N)CCO Z223025192 [0,2,0,0,0,0|1,0,0]=3 526 B8R0.5 CCCC(C)CC(=O)O Z352782810 [0,2,0,0,0,0|1,0,1]=4 527 B8R0.5 CCCC(O)CC(=O)O Z982132146 [0,2,0,0,0,0|1,0,1]=4 528 B8R0.5 CNCC(N)CC(C)C Z756920456 [0,2,0,0,0,0|2,0,0]=4 529 B8R0.5 COCC(C)CC(=O)O Z992443864 [0,2,0,0,0,0|0,1,1]=4 530 B8R0.21 CC(C)(C)NCCCO Z1268152325 [0,2,0,0,0,0|2,0,0]=4 531 B8R0.21 CC(C)(O)CCCCO Z1725965028 [0,2,0,0,0,0|1,0,0]=3 532 B8R0.21 CCCNCC(C)(C)O Z600453870 [0,2,0,0,0,0|2,0,0]=4 533 B8R0.21 CNCCCC(F)(F)F Z3490369417 [0,2,0,0,0,0|2,0,0]=4 534 B8R0.21 CS(=O)(=O)CCCCN Z2379802695 [0,2,0,0,0,0|1,0,1]=4 535 B8R0.21 CS(=O)(=O)NCCCO Z57801017 [0,2,0,0,0,0|1,0,1]=4 536 B8R0.21 OCCCCC(F)(F)F Z991547650 [0,2,0,0,0,0|2,0,0]=4 537 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [0,2,0,0,0,0|1,0,1]=4 538 B8R0.28 CC(C)CCCC(=O)O Z426022098 [0,2,0,0,0,0|1,0,1]=4 539 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [0,2,0,0,0,0|1,0,1]=4 540 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [0,2,0,0,0,0|2,0,0]=4 541 B8R0.28 CC(O)CCCN(C)C Z902046982 [0,2,0,0,0,0|1,0,0]=3 542 B8R0.22 CCCC(CN)CCO Z1269766401 [0,2,0,0,0,0|1,0,0]=3 543 B8R0.22 COCC(CCN)OC Z2491464155 [0,2,0,0,0,0|1,1,0]=4 544 B8R0.30 CCCS(=O)(=O)CCO Z1255424700 [0,2,0,0,0,0|2,0,0]=4 545 B8R0.30 COCC(C)(N)CCO Z1258990600 [0,2,0,0,0,0|0,1,0]=3 546 B6R1.1 C1=CCCCC1 Z104474726 [1,0,0,1,0,0|1,0,1]=4 547 B6R1.1 C1CCONC1 Z1787355355 [1,0,0,1,0,0|1,0,0]=3 548 B6R1.1 C1CNCCN1 Z1245537944 [1,0,0,1,0,0|2,0,0]=4 549 B6R1.1 C1COCCN1 Z57127568 [1,0,0,1,0,0|1,0,0]=3 550 B6R1.1 C1CSCCN1 Z352252014 [1,0,0,1,0,0|1,0,0]=3 551 B6R1.2 CC1CCCN1 Z1274177652 [1,0,0,1,0,0|1,0,0]=3 552 B6R1.2 CC1CCNC1 Z729771722 [1,0,0,1,0,0|1,0,0]=3 553 B6R1.2 CC1CNNC1 Z4953319766 [1,0,0,1,0,0|2,0,0]=4 554 B6R1.2 FC1CCNC1 Z1139751347 [1,0,0,1,0,0|2,0,0]=4 555 B6R1.2 NC1CCOC1 Z802544198 [1,0,0,1,0,0|1,1,0]=4 556 B6R1.2 NC1CCSC1 Z1267885911 [1,0,0,1,0,0|1,0,0]=3 557 B6R1.2 O=C1CCSC1 Z104495638 [1,0,0,1,0,0|0,0,2]=4 558 B6R1.2 O=S1CCCC1 Z278052312 [1,0,0,1,0,0|1,0,1]=4 559 B6R1.2 OC1C=CCC1 Z1255485846 [1,0,0,1,0,0|0,0,2]=4 560 B6R1.2 OC1CCOC1 Z1124541349 [1,0,0,1,0,0|0,1,0]=3 561 B6R1.2 OC1CCSC1 Z335244836 [1,0,0,1,0,0|0,0,0]=2 562 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [1,0,0,1,0,0|1,0,0]=3 563 B6R1.2 O[C@H]1CCNC1 Z1263714116 [1,0,0,1,0,0|1,0,0]=3 564 B6R1.3 ClCCC1CO1 Z1205657512 [1,0,0,1,0,0|1,0,0]=3 565 B6R1.3 NCCC1CC1 Z1267773823 [1,0,0,1,0,0|1,0,0]=3 566 B6R1.3 O=CCC1CC1 Z905066058 [1,0,0,1,0,0|0,0,2]=4 567 B6R1.3 OCCC1CC1 Z826525694 [1,0,0,1,0,0|0,0,0]=2 568 B6R1.4 CC1CCC1N Z2082999653 [1,0,0,1,0,0|1,0,0]=3 569 B6R1.6 CCC1CNC1 Z1203733931 [1,0,0,1,0,0|1,0,0]=3 570 B6R1.6 CNC1CCC1 Z1263820270 [1,0,0,1,0,0|1,0,0]=3 571 B6R1.6 COC1CNC1 Z1267773781 [1,0,0,1,0,0|1,1,0]=4 572 B6R1.6 N#CC1CCC1 Z406694072 [1,0,0,1,0,0|1,0,1]=4 573 B6R1.6 NCC1CCC1 Z381061564 [1,0,0,1,0,0|1,0,0]=3 574 B6R1.6 NCC1CNC1 Z1198274908 [1,0,0,1,0,0|2,0,0]=4 575 B6R1.6 O=CC1CCC1 Z1079442452 [1,0,0,1,0,0|0,0,2]=4 576 B6R1.8 CC1CC1C#N Z1079178904 [1,0,0,1,0,0|1,0,1]=4 577 B6R1.8 CC1CC1C=O Z1079442440 [1,0,0,1,0,0|0,0,2]=4 578 B6R1.8 CC1CC1CN Z415636622 [1,0,0,1,0,0|1,0,0]=3 579 B6R1.8 CC1CC1CO Z397587430 [1,0,0,1,0,0|0,0,0]=2 580 B6R1.8 CC1OC1CCl Z1205657581 [1,0,0,1,0,0|2,0,0]=4 581 B6R1.8 C[C@H]1C[C@@H]1C=O Z1511765506 [1,0,0,1,0,0|0,0,2]=4 582 B6R1.8 C[C@H]1C[C@H]1C=O Z1511760860 [1,0,0,1,0,0|0,0,2]=4 583 B6R1.8 N[C@@H]1C[C@H]1CF Z3085640372 [1,0,0,1,0,0|2,0,0]=4 584 B8R1.2 BrCC1CCCCO1 Z104484248 [0,1,0,1,0,0|1,0,0]=3 585 B8R1.2 C#CC1CCCCC1 Z1255457380 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.2 C#CC1CCCNC1 Z1741980183 [0,1,0,1,0,0|2,0,0]=4 587 B8R1.2 C=CC1CCCNC1 Z2740400893 [0,1,0,1,0,0|2,0,0]=4 588 B8R1.2 CCC1CCCCN1 Z839028612 [0,1,0,1,0,0|2,0,0]=4 589 B8R1.2 CCC1CCCNC1 Z381019246 [0,1,0,1,0,0|2,0,0]=4 590 B8R1.2 CCC1CCNCC1 Z1198394219 [0,1,0,1,0,0|2,0,0]=4 591 B8R1.2 CCC1CNCCN1 Z3234914816 [0,1,0,1,0,0|2,0,0]=4 592 B8R1.2 CCC1CNCCO1 Z283724556 [0,1,0,1,0,0|1,0,0]=3 593 B8R1.2 CCC1CNCCS1 Z1203735378 [0,1,0,1,0,0|1,1,0]=4 594 B8R1.2 CCC1COCCN1 Z405749950 [0,1,0,1,0,0|1,1,0]=4 595 B8R1.2 CNC1=NCCCC1 Z1744713171 [0,1,0,1,0,0|2,0,0]=4 596 B8R1.2 CNC1CCCSC1 Z1873867368 [0,1,0,1,0,0|1,0,0]=3 597 B8R1.2 CNC1CCNCC1 Z1511513954 [0,1,0,1,0,0|2,0,0]=4 598 B8R1.2 CNC1CCOCC1 Z440603550 [0,1,0,1,0,0|2,0,0]=4 599 B8R1.2 CNC1CCSCC1 Z3234882084 [0,1,0,1,0,0|2,0,0]=4 600 B8R1.2 COC1=NCCCC1 Z729471270 [0,1,0,1,0,0|1,1,0]=4 601 B8R1.2 COC1CCC=CO1 Z995169098 [0,1,0,1,0,0|0,1,1]=4 602 B8R1.2 COC1CCNCC1 Z169511496 [0,1,0,1,0,0|1,1,0]=4 603 B8R1.2 COC1CNCCO1 Z1203748232 [0,1,0,1,0,0|0,1,0]=3 604 B8R1.2 CSC1=NCCCN1 Z104341704 [0,1,0,1,0,0|1,0,1]=4 605 B8R1.2 CSC1CCNCC1 Z1201627011 [0,1,0,1,0,0|1,0,0]=3 606 B8R1.2 ClCC1CCOCO1 Z56932992 [0,1,0,1,0,0|1,1,0]=4 607 B8R1.2 ClCC1CNCCO1 Z1198749808 [0,1,0,1,0,0|2,0,0]=4 608 B8R1.2 FCC1CCCNC1 Z2768770399 [0,1,0,1,0,0|2,0,0]=4 609 B8R1.2 FCC1CNCCO1 Z1262569974 [0,1,0,1,0,0|2,0,0]=4 610 B8R1.2 N#CC1CCCCC1 Z210803886 [0,1,0,1,0,0|2,0,0]=4 611 B8R1.2 N#CC1CCCNC1 Z1198184383 [0,1,0,1,0,0|2,0,0]=4 612 B8R1.2 N#CC1CCCOC1 Z1079179226 [0,1,0,1,0,0|1,1,0]=4 613 B8R1.2 N#CC1CNCCO1 Z1263820378 [0,1,0,1,0,0|2,0,0]=4 614 B8R1.2 N#CC1CSCCO1 Z1356110445 [0,1,0,1,0,0|1,0,1]=4 615 B8R1.2 N#CC1CSCCS1 Z1201618343 [0,1,0,1,0,0|1,0,1]=4 616 B8R1.2 NCC1=CCCCC1 Z2230911155 [0,1,0,1,0,0|2,0,0]=4 617 B8R1.2 NCC1CCCCC1 Z235354645 [0,1,0,1,0,0|2,0,0]=4 618 B8R1.2 NCC1CCCCO1 Z839575544 [0,1,0,1,0,0|1,0,0]=3 619 B8R1.2 NCC1CCCCS1 Z1318217220 [0,1,0,1,0,0|1,1,0]=4 620 B8R1.2 NCC1CCOCC1 Z440605454 [0,1,0,1,0,0|1,1,0]=4 621 B8R1.2 NCC1CCOCO1 Z1431005851 [0,1,0,1,0,0|1,1,0]=4 622 B8R1.2 NCC1COCCN1 Z2768165249 [0,1,0,1,0,0|1,1,0]=4 623 B8R1.2 NCC1CSCCN1 Z1203585142 [0,1,0,1,0,0|1,0,0]=3 624 B8R1.2 NCC1CSCCS1 Z1198167851 [0,1,0,1,0,0|1,0,0]=3 625 B8R1.2 NC[C@H]1CCCNC1 Z2686452674 [0,1,0,1,0,0|2,0,0]=4 626 B8R1.2 NOC1CCCCO1 Z968560364 [0,1,0,1,0,0|1,1,0]=4 627 B8R1.2 O=CC1CCCCC1 Z104478974 [0,1,0,1,0,0|1,0,1]=4 628 B8R1.2 O=CC1CCCCO1 Z1079442734 [0,1,0,1,0,0|1,0,1]=4 629 B8R1.2 O=CC1CCCOC1 Z1065877672 [0,1,0,1,0,0|0,1,1]=4 630 B8R1.2 O=CC1CCCSC1 Z1255489365 [0,1,0,1,0,0|0,0,1]=3 631 B8R1.2 O=CC1CCSCC1 Z1201622265 [0,1,0,1,0,0|0,0,2]=4 632 B8R1.2 OCC1=CCNCC1 Z2310702179 [0,1,0,1,0,0|1,0,1]=4 633 B8R1.2 OCC1C=CCCN1 Z4430264645 [0,1,0,1,0,0|1,0,1]=4 634 B8R1.2 OCC1CC=CCC1 Z104476102 [0,1,0,1,0,0|1,0,0]=3 635 B8R1.2 OCC1CCCCC1 Z104503428 [0,1,0,1,0,0|1,0,0]=3 636 B8R1.2 OCC1CCCCN1 Z104476610 [0,1,0,1,0,0|1,0,0]=3 637 B8R1.2 OCC1CCCCO1 Z104479808 [0,1,0,1,0,0|1,0,0]=3 638 B8R1.2 OCC1CCCNC1 Z104479614 [0,1,0,1,0,0|1,0,0]=3 639 B8R1.2 OCC1CCCOC1 Z445213352 [0,1,0,1,0,0|0,1,0]=3 640 B8R1.2 OCC1CCNCC1 Z380864362 [0,1,0,1,0,0|1,0,0]=3 641 B8R1.2 OCC1CCOCC1 Z979753218 [0,1,0,1,0,0|0,1,0]=3 642 B8R1.2 OCC1CCSCC1 Z1198266791 [0,1,0,1,0,0|0,0,0]=2 643 B8R1.2 OCC1CNCCO1 Z1235945999 [0,1,0,1,0,0|1,0,0]=3 644 B8R1.2 OCC1COCCN1 Z2513335525 [0,1,0,1,0,0|0,1,0]=3 645 B8R1.2 OCC1COCCO1 Z1020816972 [0,1,0,1,0,0|0,1,0]=3 646 B8R1.2 OCC1CSCCN1 Z1203733048 [0,1,0,1,0,0|0,0,0]=2 647 B8R1.2 OC[C@H]1CCCCN1 Z1203731003 [0,1,0,1,0,0|1,0,0]=3 648 B8R1.2 ON=C1CCCCC1 Z49568468 [0,1,0,1,0,0|1,0,1]=4 649 B8R1.5 CC1CCCCC1=O Z104477192 [0,1,0,1,0,0|1,0,1]=4 650 B8R1.5 CC1CCCCC1O Z104478402 [0,1,0,1,0,0|1,0,0]=3 651 B8R1.5 CC1CCCNC1C Z959345762 [0,1,0,1,0,0|2,0,0]=4 652 B8R1.5 CC1CCNCC1N Z4351244628 [0,1,0,1,0,0|2,0,0]=4 653 B8R1.5 CC1CCOCC1N Z3035821495 [0,1,0,1,0,0|1,1,0]=4 654 B8R1.5 CC1CNCCC1O Z1742055068 [0,1,0,1,0,0|1,0,0]=3 655 B8R1.5 CC1CNCCN1C Z2408371461 [0,1,0,1,0,0|2,0,0]=4 656 B8R1.5 CC1COCCC1N Z1868316869 [0,1,0,1,0,0|1,1,0]=4 657 B8R1.5 CC1COCCC1O Z1255390393 [0,1,0,1,0,0|1,0,0]=3 658 B8R1.5 CC1NCCCC1O Z2235409289 [0,1,0,1,0,0|1,0,0]=3 659 B8R1.5 CC1NCCOC1C Z1187835063 [0,1,0,1,0,0|2,0,0]=4 660 B8R1.5 CC1SCCCC1=O Z1359849054 [0,1,0,1,0,0|0,0,2]=4 661 B8R1.5 C[C@@H]1CCCC[C@H]1O Z1896168809 [0,1,0,1,0,0|1,0,0]=3 662 B8R1.5 C[C@@H]1CCNC[C@@H]1O Z2307368538 [0,1,0,1,0,0|1,0,0]=3 663 B8R1.5 C[C@@H]1NCCC[C@@H]1N Z5041247026 [0,1,0,1,0,0|2,0,0]=4 664 B8R1.5 C[C@@H]1NCCC[C@@H]1O Z2568757708 [0,1,0,1,0,0|1,0,0]=3 665 B8R1.5 C[C@@H]1NCCO[C@@H]1C Z2412195478 [0,1,0,1,0,0|2,0,0]=4 666 B8R1.5 C[C@@H]1NCCO[C@H]1C Z4524514028 [0,1,0,1,0,0|2,0,0]=4 667 B8R1.5 C[C@H]1CCCC[C@@H]1O Z1255486326 [0,1,0,1,0,0|1,0,0]=3 668 B8R1.5 C[C@H]1CCCC[C@H]1N Z3244401660 [0,1,0,1,0,0|2,0,0]=4 669 B8R1.5 NC1CCCCC1N Z104474510 [0,1,0,1,0,0|2,0,0]=4 670 B8R1.5 NC1CCOCC1O Z2688974552 [0,1,0,1,0,0|0,1,0]=3 671 B8R1.5 N[C@@H]1CCCC[C@@H]1F Z2724313717 [0,1,0,1,0,0|2,0,0]=4 672 B8R1.5 N[C@@H]1CCCC[C@@H]1O Z2235399143 [0,1,0,1,0,0|1,0,0]=3 673 B8R1.5 N[C@@H]1COCC[C@H]1N Z4745609917 [0,1,0,1,0,0|1,1,0]=4 674 B8R1.5 N[C@@H]1COCC[C@H]1O Z2309916421 [0,1,0,1,0,0|1,1,0]=4 675 B8R1.5 N[C@H]1CCCC[C@@H]1N Z1147137780 [0,1,0,1,0,0|2,0,0]=4 676 B8R1.5 N[C@H]1CCCC[C@H]1N Z1203577984 [0,1,0,1,0,0|2,0,0]=4 677 B8R1.5 OC1CCCCC1O Z600453486 [0,1,0,1,0,0|1,0,0]=3 678 B8R1.5 OC1CCNCC1F Z1416168950 [0,1,0,1,0,0|2,0,0]=4 679 B8R1.5 OC1NCCCC1F Z3995268169 [0,1,0,1,0,0|2,0,0]=4 680 B8R1.5 O[C@@H]1CCCC[C@H]1O Z2240998867 [0,1,0,1,0,0|1,0,0]=3 681 B8R1.5 O[C@@H]1CNCC[C@H]1F Z2307343627 [0,1,0,1,0,0|1,0,0]=3 682 B8R1.5 O[C@H]1CONC[C@H]1O Z3073361071 [0,1,0,1,0,0|1,1,0]=4 683 B8R1.8 CCCC1CCNC1 Z940902738 [0,1,0,1,0,0|2,0,0]=4 684 B8R1.8 CCCC1NCCS1 Z2144245754 [0,1,0,1,0,0|1,1,0]=4 685 B8R1.8 CCCN1CCCC1 Z4634999686 [0,1,0,1,0,0|2,0,0]=4 686 B8R1.8 CCNC1CCCC1 Z90513159 [0,1,0,1,0,0|2,0,0]=4 687 B8R1.8 CNCC1CCCC1 Z1162448850 [0,1,0,1,0,0|2,0,0]=4 688 B8R1.8 CNCC1CCCO1 Z137696198 [0,1,0,1,0,0|1,0,0]=3 689 B8R1.8 CNCC1CCOC1 Z239629088 [0,1,0,1,0,0|1,0,0]=3 690 B8R1.8 COCC1CCCN1 Z1342208414 [0,1,0,1,0,0|1,1,0]=4 691 B8R1.8 CSCC1CCCN1 Z839514412 [0,1,0,1,0,0|1,0,0]=3 692 B8R1.8 CSCC1CCNC1 Z1250132642 [0,1,0,1,0,0|1,0,0]=3 693 B8R1.8 ClCCN1CCCC1 Z104489566 [0,1,0,1,0,0|2,0,0]=4 694 B8R1.8 N#CCC1CCCC1 Z804898574 [0,1,0,1,0,0|2,0,0]=4 695 B8R1.8 N#CCC1CCCO1 Z94601183 [0,1,0,1,0,0|1,0,1]=4 696 B8R1.8 N#CCC1CCNC1 Z2509351232 [0,1,0,1,0,0|2,0,0]=4 697 B8R1.8 NCCC1CC=CC1 Z2310699161 [0,1,0,1,0,0|2,0,0]=4 698 B8R1.8 NCCC1CCCC1 Z398556750 [0,1,0,1,0,0|2,0,0]=4 699 B8R1.8 NCCC1CCCO1 Z1245635808 [0,1,0,1,0,0|1,0,0]=3 700 B8R1.8 NCCC1CCCS1 Z2681242377 [0,1,0,1,0,0|1,1,0]=4 701 B8R1.8 NCCN1CCCC1 Z812516900 [0,1,0,1,0,0|2,0,0]=4 702 B8R1.8 O/N=C/C1CCOC1 Z218486076 [0,1,0,1,0,0|0,1,1]=4 703 B8R1.8 O=CCC1CCCC1 Z993017732 [0,1,0,1,0,0|1,0,1]=4 704 B8R1.8 O=CCC1CCCO1 Z1183458964 [0,1,0,1,0,0|1,0,1]=4 705 B8R1.8 O=CCC1CCOC1 Z1138844345 [0,1,0,1,0,0|0,1,1]=4 706 B8R1.8 OCCC1CCCC1 Z397587408 [0,1,0,1,0,0|1,0,0]=3 707 B8R1.8 OCCC1CCCN1 Z1198148537 [0,1,0,1,0,0|1,0,0]=3 708 B8R1.8 OCCC1CCCO1 Z1183459210 [0,1,0,1,0,0|1,0,0]=3 709 B8R1.8 OCCC1CCNC1 Z1198184196 [0,1,0,1,0,0|1,0,0]=3 710 B8R1.8 OCCC1CCOC1 Z1138844344 [0,1,0,1,0,0|0,1,0]=3 711 B8R1.8 OCCN1CCCC1 Z104477730 [0,1,0,1,0,0|1,0,0]=3 712 B8R1.9 C[C@@H]1C[C@@H]1CCC=O Z4130582680 [0,1,0,1,0,0|1,0,1]=4 713 B8R1.9 C[C@@H]1C[C@H]1CCCN Z4081421787 [0,1,0,1,0,0|2,0,0]=4 714 B8R1.10 C#CCNC1CSC1 Z2510094146 [0,1,0,1,0,0|1,0,1]=4 715 B8R1.10 CCNCC1CCC1 Z1947443776 [0,1,0,1,0,0|2,0,0]=4 716 B8R1.10 NCCCC1CCC1 Z2522552643 [0,1,0,1,0,0|2,0,0]=4 717 B8R1.10 NCCOC1CCC1 Z959310784 [0,1,0,1,0,0|2,0,0]=4 718 B8R1.10 O=CCCC1CCC1 Z1717769279 [0,1,0,1,0,0|1,0,1]=4 719 B8R1.10 O=CCCC1CCO1 Z2327124310 [0,1,0,1,0,0|1,0,1]=4 720 B8R1.10 OCCOC1CCC1 Z959313250 [0,1,0,1,0,0|1,0,0]=3 721 B8R1.11 C#CC1CCCN1C Z3668963393 [0,1,0,1,0,0|2,0,0]=4 722 B8R1.11 C#C[C@@H]1CNC[C@H]1O Z5293552859 [0,1,0,1,0,0|1,0,1]=4 723 B8R1.11 C=C[C@@H]1CCC[C@H]1O Z3015056914 [0,1,0,1,0,0|1,0,1]=4 724 B8R1.11 C=C[C@H]1CNC[C@H]1O Z5042750192 [0,1,0,1,0,0|1,0,1]=4 725 B8R1.11 CC1CCCC1C#N Z1258611152 [0,1,0,1,0,0|2,0,0]=4 726 B8R1.11 CC1CCCC1C=O Z1268606470 [0,1,0,1,0,0|1,0,1]=4 727 B8R1.11 CC1CCNC1CO Z1203831515 [0,1,0,1,0,0|1,0,0]=3 728 B8R1.11 CC1NCCC1CO Z1255464335 [0,1,0,1,0,0|1,0,0]=3 729 B8R1.11 CCC1CCCC1=O Z813018310 [0,1,0,1,0,0|1,0,1]=4 730 B8R1.11 CCC1CCCC1N Z813018518 [0,1,0,1,0,0|2,0,0]=4 731 B8R1.11 CCC1CCNC1C Z1723849126 [0,1,0,1,0,0|2,0,0]=4 732 B8R1.11 CCC1CNCC1O Z1509030677 [0,1,0,1,0,0|1,0,0]=3 733 B8R1.11 CCC1NCCC1C Z1723849174 [0,1,0,1,0,0|2,0,0]=4 734 B8R1.11 CN1CCCC1CN Z326202522 [0,1,0,1,0,0|2,0,0]=4 735 B8R1.11 COC1CCCC1O Z854223428 [0,1,0,1,0,0|0,1,0]=3 736 B8R1.11 CO[C@@H]1CCC[C@@H]1N Z3847443224 [0,1,0,1,0,0|1,1,0]=4 737 B8R1.11 CO[C@@H]1CCC[C@H]1N Z2235777878 [0,1,0,1,0,0|1,1,0]=4 738 B8R1.11 CO[C@@H]1CCC[C@H]1O Z2286637815 [0,1,0,1,0,0|0,1,0]=3 739 B8R1.11 CO[C@@H]1CCN[C@@H]1C Z4509390435 [0,1,0,1,0,0|1,1,0]=4 740 B8R1.11 CO[C@@H]1CNC[C@H]1F Z2307368321 [0,1,0,1,0,0|1,1,0]=4 741 B8R1.11 CO[C@@H]1CNC[C@H]1O Z1982426537 [0,1,0,1,0,0|0,1,0]=3 742 B8R1.11 CO[C@H]1CCC[C@@H]1N Z905269870 [0,1,0,1,0,0|1,1,0]=4 743 B8R1.11 CO[C@H]1CCC[C@@H]1O Z1162417007 [0,1,0,1,0,0|0,1,0]=3 744 B8R1.11 CSC1CCCC1N Z1203642543 [0,1,0,1,0,0|1,0,0]=3 745 B8R1.11 C[C@@H]1CNC[C@H]1CO Z1955350046 [0,1,0,1,0,0|1,0,0]=3 746 B8R1.11 N#CC1CCCC1O Z409438998 [0,1,0,1,0,0|1,0,1]=4 747 B8R1.11 NCC1CCCC1N Z951173802 [0,1,0,1,0,0|2,0,0]=4 748 B8R1.11 NCC1CCCC1O Z409444212 [0,1,0,1,0,0|1,0,0]=3 749 B8R1.11 NC[C@@H]1COC[C@@H]1O Z2828229275 [0,1,0,1,0,0|1,1,0]=4 750 B8R1.11 NN[C@@H]1CCC[C@H]1O Z2350387396 [0,1,0,1,0,0|2,0,0]=4 751 B8R1.11 N[C@@H]1COC[C@@H]1CO Z2568674574 [0,1,0,1,0,0|0,1,0]=3 752 B8R1.11 N[C@H]1CCC[C@H]1CO Z1198220662 [0,1,0,1,0,0|1,0,0]=3 753 B8R1.11 O=C1CCCN1CO Z56755633 [0,1,0,1,0,0|2,0,0]=4 754 B8R1.11 O=C1NCCC1CO Z1203746842 [0,1,0,1,0,0|1,0,1]=4 755 B8R1.11 OC[C@@H]1CNC[C@H]1F Z3069557183 [0,1,0,1,0,0|1,0,0]=3 756 B8R1.12 CNC1CCC1OC Z2868220149 [0,1,0,1,0,0|1,0,0]=3 757 B8R1.12 CN[C@@H]1CC[C@H]1OC Z4997554839 [0,1,0,1,0,0|1,0,0]=3 758 B8R1.12 CO[C@@H]1CC[C@H]1CN Z4643457562 [0,1,0,1,0,0|1,1,0]=4 759 B8R1.13 O=C1CCN1CCO Z1897885187 [0,1,0,1,0,0|2,0,0]=4 760 B8R1.17 CCC[C@@H]1C[C@H]1CN Z3247491743 [0,1,0,1,0,0|2,0,0]=4 761 B8R1.22 CC1CCCCNC1 Z1723849152 [0,1,0,1,0,0|2,0,0]=4 762 B8R1.22 CC1CCCNCC1 Z425362298 [0,1,0,1,0,0|2,0,0]=4 763 B8R1.22 CC1CCNCCN1 Z3006266627 [0,1,0,1,0,0|2,0,0]=4 764 B8R1.22 CC1CCNCCO1 Z2855997854 [0,1,0,1,0,0|1,0,0]=3 765 B8R1.22 CC1CCNCCS1 Z1270499064 [0,1,0,1,0,0|1,1,0]=4 766 B8R1.22 CC1CCOCCN1 Z2940715295 [0,1,0,1,0,0|2,0,0]=4 767 B8R1.22 CC1CCSCCN1 Z1839475384 [0,1,0,1,0,0|2,0,0]=4 768 B8R1.22 CC1CNCCCN1 Z1203732447 [0,1,0,1,0,0|2,0,0]=4 769 B8R1.22 CC1CNCCCO1 Z425722880 [0,1,0,1,0,0|1,0,0]=3 770 B8R1.22 CC1CNCCOC1 Z1216819166 [0,1,0,1,0,0|1,1,0]=4 771 B8R1.22 CC1CNCCSC1 Z1270496770 [0,1,0,1,0,0|1,0,0]=3 772 B8R1.22 CC1COCCCN1 Z1216819161 [0,1,0,1,0,0|1,1,0]=4 773 B8R1.22 CC1CSCCCN1 Z2895198847 [0,1,0,1,0,0|1,0,0]=3 774 B8R1.22 CN1CCCNCC1 Z104479254 [0,1,0,1,0,0|2,0,0]=4 775 B8R1.22 FC1CCCNCC1 Z1255416656 [0,1,0,1,0,0|2,0,0]=4 776 B8R1.22 FC1CNCCOC1 Z4924614783 [0,1,0,1,0,0|1,1,0]=4 777 B8R1.22 NC1CCCCCC1 Z104477488 [0,1,0,1,0,0|2,0,0]=4 778 B8R1.22 NC1CCCSCC1 Z3102941972 [0,1,0,1,0,0|1,0,0]=3 779 B8R1.22 NC1COCCOC1 Z1463350443 [0,1,0,1,0,0|1,1,0]=4 780 B8R1.22 NC1CSCCSC1 Z4628238517 [0,1,0,1,0,0|1,0,0]=3 781 B8R1.22 O=C1CCCCCC1 Z104473100 [0,1,0,1,0,0|1,0,1]=4 782 B8R1.22 O=C1COCCCN1 Z1203733065 [0,1,0,1,0,0|2,0,0]=4 783 B8R1.22 OC1CCCNCC1 Z1198309797 [0,1,0,1,0,0|1,0,0]=3 784 B8R1.22 OC1CNCCOC1 Z2234631219 [0,1,0,1,0,0|0,1,0]=3 785 B8R1.36 BrCCOCC1CO1 Z3038215664 [0,1,0,1,0,0|1,1,0]=4 786 B8R1.36 CCCCNC1CC1 Z361993970 [0,1,0,1,0,0|2,0,0]=4 787 B8R1.36 CCNCCC1CC1 Z826524836 [0,1,0,1,0,0|2,0,0]=4 788 B8R1.36 CCOCCC1CO1 Z1495386137 [0,1,0,1,0,0|0,1,0]=3 789 B8R1.36 COCCNC1CC1 Z1708090045 [0,1,0,1,0,0|1,1,0]=4 790 B8R1.36 NCCCOC1CC1 Z5593566245 [0,1,0,1,0,0|2,0,0]=4 791 B8R1.36 NCCNCC1CC1 Z2941505334 [0,1,0,1,0,0|2,0,0]=4 792 B8R1.36 NCCOCC1CC1 Z1266854848 [0,1,0,1,0,0|2,0,0]=4 793 B8R1.36 NCCSCC1CC1 Z431958616 [0,1,0,1,0,0|2,0,0]=4 794 B8R1.36 O=CCCCC1CC1 Z1511869605 [0,1,0,1,0,0|1,0,1]=4 795 B8R1.36 OCCCNC1CC1 Z138414456 [0,1,0,1,0,0|1,0,0]=3 796 B8R1.36 OCCNCC1CC1 Z335251956 [0,1,0,1,0,0|1,0,0]=3 797 B8R1.36 OCCOCC1CC1 Z854231442 [0,1,0,1,0,0|1,0,0]=3 798 B8R1.36 OCCOCC1CO1 Z332379868 [0,1,0,1,0,0|0,1,0]=3 799 B8R1.49 C1CCCNCCC1 Z104480232 [0,1,0,1,0,0|2,0,0]=4 800 B8R1.1 CC1CCC(O1)C#N Z1438313776 [0,1,0,1,0,0|2,0,0]=4 801 B8R1.1 CC1CCC(O1)CN Z1438307598 [0,1,0,1,0,0|2,0,0]=4 802 B8R1.1 CCC1CC(CN1)C Z1203749385 [0,1,0,1,0,0|2,0,0]=4 803 B8R1.1 CCC1CCC(N1)C Z1582263727 [0,1,0,1,0,0|2,0,0]=4 804 B8R1.1 CN1CCC(C1)CN Z317026942 [0,1,0,1,0,0|2,0,0]=4 805 B8R1.1 CN1CCC(C1)CO Z976730728 [0,1,0,1,0,0|1,0,0]=3 806 B8R1.1 CO[C@@H]1CC[C@H](C1)N Z3282728045 [0,1,0,1,0,0|1,1,0]=4 807 B8R1.1 CSC1CCC(C1)N Z1245790495 [0,1,0,1,0,0|1,0,0]=3 808 B8R1.1 N#CC1CCC(C1)O Z1258995690 [0,1,0,1,0,0|2,0,0]=4 809 B8R1.1 NCC1CCC(C1)F Z3074473433 [0,1,0,1,0,0|2,0,0]=4 810 B8R1.1 O=C1CC(CN1)CO Z1201625841 [0,1,0,1,0,0|1,0,1]=4 811 B8R1.1 O=C1CCC(N1)CO Z235344363 [0,1,0,1,0,0|2,0,0]=4 812 B8R1.1 O=C1CC[C@H](N1)CO Z235344345 [0,1,0,1,0,0|2,0,0]=4 813 B8R1.1 OCC1CC(CN1)F Z1753033006 [0,1,0,1,0,0|2,0,0]=4 814 B8R1.3 CC1=CCC(CC1)N Z3857655203 [0,1,0,1,0,0|2,0,0]=4 815 B8R1.3 CC1CCC(CC1)O Z104476106 [0,1,0,1,0,0|1,0,0]=3 816 B8R1.3 CC1CCC(CN1)N Z3544167688 [0,1,0,1,0,0|2,0,0]=4 817 B8R1.3 CC1CCC(CN1)O Z2350906968 [0,1,0,1,0,0|1,0,0]=3 818 B8R1.3 CC1CCC(CO1)O Z1898581838 [0,1,0,1,0,0|0,1,0]=3 819 B8R1.3 CC1COC(CN1)C Z327218388 [0,1,0,1,0,0|2,0,0]=4 820 B8R1.3 CN1CCC(CC1)N Z89283296 [0,1,0,1,0,0|2,0,0]=4 821 B8R1.3 C[C@@H]1CC[C@@H](CN1)O Z2309899176 [0,1,0,1,0,0|1,0,0]=3 822 B8R1.3 C[C@@H]1CC[C@H](CN1)O Z2327179252 [0,1,0,1,0,0|1,0,0]=3 823 B8R1.3 C[C@H]1CC[C@@H](CC1)N Z1150306734 [0,1,0,1,0,0|2,0,0]=4 824 B8R1.3 NC1CCC(CC1)N Z104477550 [0,1,0,1,0,0|2,0,0]=4 825 B8R1.3 OC1CCC(CC1)O Z1178486717 [0,1,0,1,0,0|1,0,0]=3 826 B8R1.38 CC(CN)C1CCC1 Z4670691728 [0,1,0,1,0,0|2,0,0]=4 827 B8R1.38 CC(CO)C1CCC1 Z1717769985 [0,1,0,1,0,0|1,0,0]=3 828 B8R1.38 CCC(N)C1CCC1 Z2941715980 [0,1,0,1,0,0|2,0,0]=4 829 B8R1.38 CCC(O)C1CCC1 Z1255407680 [0,1,0,1,0,0|2,0,0]=4 830 B8R1.38 NCC(N)C1CCC1 Z1925930579 [0,1,0,1,0,0|2,0,0]=4 831 B8R1.38 NCC(O)C1CCC1 Z2238624890 [0,1,0,1,0,0|2,0,0]=4 832 B8R1.40 CCN(C)CC1CO1 Z409025020 [0,1,0,1,0,0|2,0,0]=4 833 B8R1.40 CNC(C)CC1CC1 Z3676142349 [0,1,0,1,0,0|2,0,0]=4 834 B8R1.40 COC(=O)CC1CO1 Z2689606459 [0,1,0,1,0,0|0,1,1]=4 835 B8R1.40 NC(CO)CC1CC1 Z1198179456 [0,1,0,1,0,0|1,0,0]=3 836 B8R1.40 NCC(O)CC1CC1 Z2310701824 [0,1,0,1,0,0|2,0,0]=4 837 B8R1.41 CCCCC1(CC1)N Z2888996734 [0,1,0,1,0,0|2,0,0]=4 838 B8R1.41 COCCC1(CC1)N Z2310679165 [0,1,0,1,0,0|1,1,0]=4 839 B8R1.47 CCC1CC(C1)CN Z4165836124 [0,1,0,1,0,0|2,0,0]=4 840 B8R1.47 CO[C@H]1C[C@@H](C1)CN Z2787245739 [0,1,0,1,0,0|1,1,0]=4 841 B8R1.47 CSC1CC(C1)CN Z4387307771 [0,1,0,1,0,0|1,0,0]=3 842 B8R1.47 CS[C@H]1C[C@@H](C1)CN Z4282599613 [0,1,0,1,0,0|1,0,0]=3 843 B8R1.47 CS[C@H]1C[C@H](C1)CN Z4433645218 [0,1,0,1,0,0|1,0,0]=3 844 B8R1.50 CC1CCC(C1N)C Z1357774290 [0,1,0,1,0,0|2,0,0]=4 845 B8R1.52 CC1(CCCC1)CN Z56757289 [0,1,0,1,0,0|2,0,0]=4 846 B8R1.52 CC1(CCCC1)CO Z1255466752 [0,1,0,1,0,0|1,0,0]=3 847 B8R1.52 CC1(CCCO1)C#N Z384972070 [0,1,0,1,0,0|2,0,0]=4 848 B8R1.52 CC1(CCCO1)C=O Z1389061333 [0,1,0,1,0,0|2,0,0]=4 849 B8R1.52 CC1(CCCO1)CN Z1198218662 [0,1,0,1,0,0|2,0,0]=4 850 B8R1.52 CC1(CCCO1)CO Z1389059207 [0,1,0,1,0,0|2,0,0]=4 851 B8R1.52 CC1(CCNC1)CN Z1993522731 [0,1,0,1,0,0|2,0,0]=4 852 B8R1.52 CC1(CCNC1)CO Z1270138787 [0,1,0,1,0,0|1,0,0]=3 853 B8R1.52 CC1(CCOC1)CN Z995185734 [0,1,0,1,0,0|1,1,0]=4 854 B8R1.52 CC1(CCOC1)CO Z1270138617 [0,1,0,1,0,0|0,1,0]=3 855 B8R1.52 CCC1(CCCC1)N Z2235330317 [0,1,0,1,0,0|2,0,0]=4 856 B8R1.52 CCC1(CCNC1)C Z979421246 [0,1,0,1,0,0|2,0,0]=4 857 B8R1.52 CCC1(CCNC1)O Z1742055042 [0,1,0,1,0,0|2,0,0]=4 858 B8R1.52 CCC1(CCOC1)N Z2010009859 [0,1,0,1,0,0|1,1,0]=4 859 B8R1.52 CNC1(CCCC1)C Z1895741267 [0,1,0,1,0,0|2,0,0]=4 860 B8R1.52 N#CC1(CCSC1)N Z247612682 [0,1,0,1,0,0|1,0,1]=4 861 B8R1.52 NC1(CCCC1)CO Z734150968 [0,1,0,1,0,0|1,0,0]=3 862 B8R1.52 NCC1(CCCC1)Cl Z1262684076 [0,1,0,1,0,0|2,0,0]=4 863 B8R1.52 NCC1(CCCC1)N Z1198107484 [0,1,0,1,0,0|2,0,0]=4 864 B8R1.52 NCC1(CCCC1)O Z330827814 [0,1,0,1,0,0|2,0,0]=4 865 B8R1.52 NCC1(CCOC1)F Z2830496127 [0,1,0,1,0,0|1,1,0]=4 866 B8R1.52 NCC1(CCOC1)O Z1124555593 [0,1,0,1,0,0|1,1,0]=4 867 B8R1.52 NCC1(CCSC1)O Z1333761731 [0,1,0,1,0,0|1,0,0]=3 868 B8R1.52 OCC1(CCCC1)O Z1258947137 [0,1,0,1,0,0|1,0,0]=3 869 B8R1.52 OCC1(CCOC1)O Z1537124515 [0,1,0,1,0,0|0,1,0]=3 870 B8R1.4 CC1=CC(CCC1)N Z3895215954 [0,1,0,1,0,0|2,0,0]=4 871 B8R1.4 CC1=CC(CCC1)O Z1255423437 [0,1,0,1,0,0|1,0,0]=3 872 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [0,1,0,1,0,0|1,0,1]=4 873 B8R1.4 CC1CC(CCN1)N Z3950506166 [0,1,0,1,0,0|2,0,0]=4 874 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,1,0,1,0,0|2,0,0]=4 875 B8R1.4 CC1CCCC(C1)N Z367450918 [0,1,0,1,0,0|2,0,0]=4 876 B8R1.4 CC1CCCC(N1)C Z104474330 [0,1,0,1,0,0|2,0,0]=4 877 B8R1.4 CC1CNCC(C1)C Z104474332 [0,1,0,1,0,0|2,0,0]=4 878 B8R1.4 CC1CNCC(C1)O Z2255082098 [0,1,0,1,0,0|1,0,0]=3 879 B8R1.4 CC1CNCC(O1)C Z104472602 [0,1,0,1,0,0|2,0,0]=4 880 B8R1.4 CN1CC(CCO1)O Z5948414894 [0,1,0,1,0,0|1,0,0]=3 881 B8R1.4 CN1CCCC(C1)N Z600584196 [0,1,0,1,0,0|2,0,0]=4 882 B8R1.4 C[C@@H]1CCC[C@H](N1)C Z1925930354 [0,1,0,1,0,0|2,0,0]=4 883 B8R1.4 C[C@@H]1CCN[C@@H](C1)C Z2309899803 [0,1,0,1,0,0|2,0,0]=4 884 B8R1.4 C[C@@H]1CNC[C@@H](C1)C Z2944520936 [0,1,0,1,0,0|2,0,0]=4 885 B8R1.4 C[C@@H]1CNC[C@@H](C1)O Z2301535259 [0,1,0,1,0,0|1,0,0]=3 886 B8R1.4 C[C@@H]1CNC[C@H](C1)O Z4073561603 [0,1,0,1,0,0|1,0,0]=3 887 B8R1.4 C[C@@H]1C[C@@H](CCN1)O Z2568671386 [0,1,0,1,0,0|2,0,0]=4 888 B8R1.4 C[C@@H]1C[C@H](CCO1)N Z4121905902 [0,1,0,1,0,0|1,0,0]=3 889 B8R1.4 C[C@H]1CCC[C@H](N1)C Z1203730759 [0,1,0,1,0,0|2,0,0]=4 890 B8R1.4 C[C@H]1CNC[C@H](O1)C Z1203730781 [0,1,0,1,0,0|2,0,0]=4 891 B8R1.4 F[C@@H]1CNC[C@@H](C1)F Z4085231057 [0,1,0,1,0,0|2,0,0]=4 892 B8R1.4 NC1CCCC(C1)O Z2724335128 [0,1,0,1,0,0|1,0,0]=3 893 B8R1.4 NC1CNCC(C1)O Z4465943159 [0,1,0,1,0,0|1,0,0]=3 894 B8R1.4 N[C@@H]1CNC[C@@H](C1)N Z3175310488 [0,1,0,1,0,0|2,0,0]=4 895 B8R1.4 N[C@H]1CCC[C@H](C1)O Z1203578804 [0,1,0,1,0,0|1,0,0]=3 896 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,1,0,1,0,0|2,0,0]=4 897 B8R1.4 O[C@@H]1CNC[C@@H](C1)F Z2525157521 [0,1,0,1,0,0|1,0,0]=3 898 B8R1.4 O[C@@H]1CNC[C@@H](C1)O Z1310777672 [0,1,0,1,0,0|1,0,0]=3 899 B8R1.6 CC1CC(C1)CCN Z4810246631 [0,1,0,1,0,0|2,0,0]=4 900 B8R1.6 CCOC1CC(C1)O Z1273088178 [0,1,0,1,0,0|2,0,0]=4 901 B8R1.6 CN1CC(C1)CCN Z2943477997 [0,1,0,1,0,0|2,0,0]=4 902 B8R1.6 CSCC1CC(C1)N Z3679305264 [0,1,0,1,0,0|1,0,0]=3 903 B8R1.6 NCCC1CC(=O)C1 Z2681245722 [0,1,0,1,0,0|2,0,0]=4 904 B8R1.6 NCCC1CC(C1)O Z1868316842 [0,1,0,1,0,0|2,0,0]=4 905 B8R1.6 NCC[C@H]1C[C@H](C1)O Z2310717957 [0,1,0,1,0,0|2,0,0]=4 906 B8R1.7 CC(=O)C1CCCC1 Z513735352 [0,1,0,1,0,0|2,0,0]=4 907 B8R1.7 CC(C)C1CCNC1 Z1405445651 [0,1,0,1,0,0|2,0,0]=4 908 B8R1.7 CC(N)C1CCCC1 Z513797688 [0,1,0,1,0,0|2,0,0]=4 909 B8R1.7 CC(N)C1CCCN1 Z742893600 [0,1,0,1,0,0|2,0,0]=4 910 B8R1.7 CC(N)C1CCCO1 Z318730550 [0,1,0,1,0,0|1,0,0]=3 911 B8R1.7 CC(N)C1CCOC1 Z1982494014 [0,1,0,1,0,0|1,1,0]=4 912 B8R1.7 CC(O)C1CCNC1 Z1198184307 [0,1,0,1,0,0|1,0,0]=3 913 B8R1.7 CC(O)C1CCOC1 Z1138843471 [0,1,0,1,0,0|0,1,0]=3 914 B8R1.7 CC(O)[C@@H]1CCCN1 Z1203825201 [0,1,0,1,0,0|2,0,0]=4 915 B8R1.7 C[C@@H](O)C1CCOC1 Z1259149358 [0,1,0,1,0,0|0,1,0]=3 916 B8R1.7 C[C@H](O)C1CCOC1 Z1259149356 [0,1,0,1,0,0|0,1,0]=3 917 B8R1.7 FC(F)C1CCNC1 Z1357774215 [0,1,0,1,0,0|2,0,0]=4 918 B8R1.7 N=C(N)C1CCCO1 Z1582263149 [0,1,0,1,0,0|2,0,0]=4 919 B8R1.7 NC(=O)C1CCCO1 Z33545380 [0,1,0,1,0,0|2,0,0]=4 920 B8R1.7 O=C(O)C1CCCC1 Z104476116 [0,1,0,1,0,0|1,0,1]=4 921 B8R1.7 O=C(O)C1CCCO1 Z104486102 [0,1,0,1,0,0|2,0,0]=4 922 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [0,1,0,1,0,0|1,0,1]=4 923 B8R1.7 O=C(O)C1CCOC1 Z381356480 [0,1,0,1,0,0|0,1,1]=4 924 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [0,1,0,1,0,0|0,0,1]=3 925 B8R1.7 O=C(O)C1CSCN1 Z104495996 [0,1,0,1,0,0|1,0,1]=4 926 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [0,1,0,1,0,0|1,0,1]=4 927 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [0,1,0,1,0,0|1,0,1]=4 928 B8R1.7 OB(O)C1CCCC1 Z1147227731 [0,1,0,1,0,0|2,0,0]=4 929 B8R1.19 CC1(CNCC1O)C Z1925930473 [0,1,0,1,0,0|2,0,0]=4 930 B8R1.19 CC1CCCC1(C)N Z1509036056 [0,1,0,1,0,0|2,0,0]=4 931 B8R1.19 C[C@]1(CCC[C@H]1O)O Z3037315217 [0,1,0,1,0,0|1,0,0]=3 932 B8R1.20 CC(C)C[C@@H]1C[C@H]1N Z2286708089 [0,1,0,1,0,0|2,0,0]=4 933 B8R1.31 CN(C)[C@@H]1CC[C@H]1N Z2568757699 [0,1,0,1,0,0|2,0,0]=4 934 B8R1.34 CC(=O)CC1CCC1 Z1263592386 [0,1,0,1,0,0|2,0,0]=4 935 B8R1.34 CC(N)CC1CCC1 Z2724375312 [0,1,0,1,0,0|2,0,0]=4 936 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [0,1,0,1,0,0|1,0,1]=4 937 B8R1.35 CC(=O)CCC1CC1 Z1233207768 [0,1,0,1,0,0|2,0,0]=4 938 B8R1.35 CC(C)CCC1CO1 Z1495386123 [0,1,0,1,0,0|1,0,0]=3 939 B8R1.35 CC(C)OCC1CO1 Z147642824 [0,1,0,1,0,0|2,0,0]=4 940 B8R1.35 CC(C)OC[C@@H]1CO1 Z1993604786 [0,1,0,1,0,0|2,0,0]=4 941 B8R1.35 CC(C)OC[C@H]1CO1 Z1993604787 [0,1,0,1,0,0|2,0,0]=4 942 B8R1.43 CC(C)[C@@H]1C[C@H]1CN Z2235814456 [0,1,0,1,0,0|2,0,0]=4 943 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [0,1,0,1,0,0|1,0,1]=4 944 B8R1.43 O=C([O-])[C@@H]1C[C@H]1CO Z3717749370 [0,1,0,1,0,0|2,0,0]=4 945 B8R1.72 CC1(C=CCCC1)O Z1691624687 [0,1,0,1,0,0|1,0,1]=4 946 B8R1.72 CC1(CCCCC1)N Z752370810 [0,1,0,1,0,0|2,0,0]=4 947 B8R1.72 CC1(CCCCC1)O Z449370586 [0,1,0,1,0,0|1,0,0]=3 948 B8R1.72 CC1(CCCCN1)C Z3243651326 [0,1,0,1,0,0|2,0,0]=4 949 B8R1.72 CC1(CCCNC1)C Z1182379631 [0,1,0,1,0,0|2,0,0]=4 950 B8R1.72 CC1(CCCOC1)N Z1582263087 [0,1,0,1,0,0|1,1,0]=4 951 B8R1.72 CC1(CCNCC1)O Z1416200885 [0,1,0,1,0,0|2,0,0]=4 952 B8R1.72 CC1(CNCCO1)C Z374049350 [0,1,0,1,0,0|2,0,0]=4 953 B8R1.72 CC1(CSCCN1)C Z1203747824 [0,1,0,1,0,0|2,0,0]=4 954 B8R1.72 FC1(CCCNC1)F Z1203161889 [0,1,0,1,0,0|2,0,0]=4 955 B8R1.16 CO[C@@H]1C(C[C@H]1O)N Z4766028345 [0,1,0,1,0,0|0,1,0]=3 956 B8R1.18 NC1C[C@@H]([C@@H](C1)O)O Z2830494512 [0,1,0,1,0,0|2,0,0]=4 957 B8R1.18 N[C@@H]1C[C@@H](C[C@H]1O)O Z3576076783 [0,1,0,1,0,0|2,0,0]=4 958 B8R1.18 N[C@H]1C[C@@H]([C@@H](C1)O)O Z1262685736 [0,1,0,1,0,0|2,0,0]=4 959 B8R1.37 CNCC(O)C1CC1 Z1020680710 [0,1,0,1,0,0|2,0,0]=4 960 B8R1.37 COCC(N)C1CC1 Z1172086001 [0,1,0,1,0,0|1,1,0]=4 961 B8R1.37 COCC(O)C1CC1 Z1172090355 [0,1,0,1,0,0|1,1,0]=4 962 B8R1.37 NC(CCO)C1CC1 Z1255523331 [0,1,0,1,0,0|1,0,0]=3 963 B8R1.66 CC1(CCC1)CCN Z1203642381 [0,1,0,1,0,0|2,0,0]=4 964 B8R1.66 CCCC1(CNC1)O Z3325252873 [0,1,0,1,0,0|2,0,0]=4 965 B8R1.66 CNCC1(CCC1)C Z5810348995 [0,1,0,1,0,0|2,0,0]=4 966 B8R1.66 CNCC1(CCC1)O Z1436535807 [0,1,0,1,0,0|2,0,0]=4 967 B8R1.66 COCC1(CCC1)N Z1255358298 [0,1,0,1,0,0|1,1,0]=4 968 B8R1.66 CSCC1(CCC1)N Z5608175595 [0,1,0,1,0,0|1,0,0]=3 969 B8R1.66 NC1(CCC1)CCO Z1335657821 [0,1,0,1,0,0|1,0,0]=3 970 B8R1.66 NCCC1(CNC1)O Z1953526125 [0,1,0,1,0,0|2,0,0]=4 971 B8R2.11 C[C@H]1[C@H]2[C@@H]1CNC2 Z2740752678 [0,0,0,2,0,0|2,0,0]=4 972 B8R2.11 NC1[C@@H]2[C@H]1CCC2 Z1891701563 [0,0,0,2,0,0|2,0,0]=4 973 B8R2.22 C1CC2CNC2C1 Z372839324 [0,0,0,2,0,0|2,0,0]=4 974 B8R2.22 C1C[C@@H]2CC[C@@H]2N1 Z2568680274 [0,0,0,2,0,0|2,0,0]=4 975 B8R2.22 C1C[C@@H]2[C@H]1CNC2 Z2310727771 [0,0,0,2,0,0|2,0,0]=4 976 B8R2.34 C1CC2CC1CN2 Z744843462 [0,0,0,2,0,0|2,0,0]=4 977 B8R2.34 C1CC2CCC1N2 Z235340117 [0,0,0,2,0,0|2,0,0]=4 978 B8R2.34 C1O[C@@H]2CN[C@H]1C2 Z1198157093 [0,0,0,2,0,0|2,0,0]=4 979 B8R2.55 C1CC2(CC2)CN1 Z1623872220 [0,0,0,2,0,0|2,0,0]=4 980 B8R2.55 C1CC2(CO1)CO2 Z1124555951 [0,0,0,2,0,0|0,1,0]=3 981 B8R2.55 C1CCC2(C1)CO2 Z1020680028 [0,0,0,2,0,0|1,0,0]=3 982 B8R2.55 C1CNC2(C1)CC2 Z3243649141 [0,0,0,2,0,0|2,0,0]=4 983 B8R2.2 C[C@@]12CNC[C@@H]1C2 Z2961068041 [0,0,0,2,0,0|2,0,0]=4 984 B8R2.2 C[C@]12CCC[C@H]1O2 Z4597543898 [0,0,0,2,0,0|1,0,0]=3 985 B8R2.2 NC12CSCC1C2 Z5976232934 [0,0,0,2,0,0|1,0,0]=3 986 B8R2.2 N[C@@]12CCC[C@@H]1C2 Z2896162962 [0,0,0,2,0,0|2,0,0]=4 987 B8R2.2 N[C@@]12COC[C@@H]1C2 Z2755982948 [0,0,0,2,0,0|1,1,0]=4 988 B8R2.5 NC1CC2C1CC2 Z4081406539 [0,0,0,2,0,0|2,0,0]=4 989 B8R2.25 C1=CCC2OC2C1 Z2375612263 [0,0,0,2,0,0|1,0,1]=4 990 B8R2.25 C1CC2CC2CN1 Z2568751757 [0,0,0,2,0,0|2,0,0]=4 991 B8R2.25 C1CC2OC2CO1 Z440605384 [0,0,0,2,0,0|0,1,0]=3 992 B8R2.25 C1CCC2OC2C1 Z239871664 [0,0,0,2,0,0|1,0,0]=3 993 B8R2.25 C1CNC2CC2C1 Z2429425564 [0,0,0,2,0,0|2,0,0]=4 994 B8R2.25 C1COC2CC2N1 Z2238336531 [0,0,0,2,0,0|2,0,0]=4 995 B8R2.38 N[C@@H]1CC[C@H]2[C@@H]1C2 Z5104202649 [0,0,0,2,0,0|2,0,0]=4 996 B8R2.26 N[C@@H]1C[C@H]1C2CC2 Z2298098021 [0,0,0,2,0,0|2,0,0]=4 997 B8R2.45 NC1CC12CCC2 Z2944330172 [0,0,0,2,0,0|2,0,0]=4 998 B8R2.1 C1CC(C1)C2CO2 Z1407119362 [0,0,0,2,0,0|1,0,0]=3 999 B8R2.1 C1CC1C2CNC2 Z1618128010 [0,0,0,2,0,0|2,0,0]=4 1000 B8R2.42 C1CC2(C1)CCN2 Z1258976716 [0,0,0,2,0,0|2,0,0]=4 1001 B8R2.42 C1CC2(C1)CNC2 Z1459946058 [0,0,0,2,0,0|2,0,0]=4 1002 B8R2.42 C1NCC12CSC2 Z2143572652 [0,0,0,2,0,0|2,0,0]=4 1003 B8R2.19 NC1CCC12CC2 Z3153432543 [0,0,0,2,0,0|2,0,0]=4 1004 B8R2.24 C1CC1C[C@@H]2CO2 Z3271410540 [0,0,0,2,0,0|1,0,0]=3