0 B6R0.6 C#CCCCCN Z1431002697 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 C#CCNCC#C Z1276751389 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.6 C#CCNCCC Z815264308 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.6 C#CCNCCF Z3325124018 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.6 C#CCSCCN Z1250132324 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.6 C=CCCCCN Z1198160046 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.6 C=CCNCC=C Z104474454 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.6 C=CCNCCO Z137800938 [0,0,0,0,0,0|1,0,1]=2 8 B6R0.6 C=CCOCCN Z976678988 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.6 C=CCSCCN Z1262237162 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.6 CCC#CCCN Z1203585246 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.6 CCCCCCO Z104473568 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.6 CCCNCC#N Z235653524 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.6 CCCOCCN Z4449042604 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.6 CCNCCCF Z1203824341 [0,0,0,0,0,0|4,0,0]=4 15 B6R0.6 CCNCCCO Z138139914 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.6 CCOCCCO Z1080358490 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.6 CNCCCCN Z2939606540 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.6 CNCCCCO Z839096662 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.6 COCCCCO Z431605254 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.6 ClCCNCCCl Z57388616 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.6 FCCNCCF Z4880681336 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.6 N#CCCCCN Z823279224 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.6 N#CCCCCO Z431952150 [0,0,0,0,0,0|2,0,1]=3 24 B6R0.6 NCC#CCCO Z1203639371 [0,0,0,0,0,0|2,0,1]=3 25 B6R0.6 NCCC#CCO Z4947584692 [0,0,0,0,0,0|2,0,1]=3 26 B6R0.6 NCCCCCF Z3524160733 [0,0,0,0,0,0|3,0,0]=3 27 B6R0.6 NCCCCCN Z951173830 [0,0,0,0,0,0|3,0,0]=3 28 B6R0.6 NCCNCCN Z104475186 [0,0,0,0,0,0|2,0,0]=2 29 B6R0.6 OCCNCCO Z104475196 [0,0,0,0,0,0|0,0,0]=0 30 B5R0.2 C#CCCCN Z1945700461 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.2 C#CCNCC Z815264056 [1,0,0,0,0,0|1,0,1]=3 32 B5R0.2 C/C=C/CCN Z1268152372 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.2 C=CCCCN Z993058434 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.2 C=CCNCC Z2044769224 [1,0,0,0,0,0|1,0,1]=3 35 B5R0.2 CC#CCCO Z1033337288 [1,0,0,0,0,0|1,0,1]=3 36 B5R0.2 CCC#CCN Z4935566672 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.2 CCCCC=O Z104472992 [1,0,0,0,0,0|1,0,2]=4 38 B5R0.2 CCCCCN Z104472246 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.2 CCCNCC Z138446288 [1,0,0,0,0,0|1,0,0]=2 40 B5R0.2 CCNCC#N Z235583784 [1,0,0,0,0,0|1,0,1]=3 41 B5R0.2 CCNCCF Z1198305484 [1,0,0,0,0,0|1,0,0]=2 42 B5R0.2 CCNCCO Z1258992395 [1,0,0,0,0,0|0,0,0]=1 43 B5R0.2 CCNOCC Z223690220 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.2 CCOCC#N Z295205412 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.2 CCOCCN Z271005962 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.2 CCOCCO Z104473122 [1,0,0,0,0,0|1,0,0]=2 47 B5R0.2 CCSCCN Z3061111063 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.2 CNCCCO Z104756980 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.2 COCCCO Z431517702 [1,0,0,0,0,0|2,0,0]=3 50 B5R0.2 N#CCCCN Z1649677743 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.2 N#CCCCO Z385458622 [1,0,0,0,0,0|1,0,1]=3 52 B5R0.2 NCCCCF Z2177031126 [1,0,0,0,0,0|2,0,0]=3 53 B5R0.2 NCCCCN Z104472592 [1,0,0,0,0,0|2,0,0]=3 54 B5R0.2 OC/C=C/CO Z237581088 [1,0,0,0,0,0|0,0,2]=3 55 B7R0.1 CC#CCCCCO Z1233226212 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.1 CCCCCCCO Z104473596 [0,1,0,0,0,0|2,0,0]=3 57 B7R0.1 CCCCCCNC Z5419328797 [0,1,0,0,0,0|3,0,0]=4 58 B7R0.1 CCCCOCCN Z409191398 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.1 CCCOCCCO Z1080358966 [0,1,0,0,0,0|2,0,0]=3 60 B7R0.1 CCOCCCCO Z993012560 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.1 CNCCCCCN Z4097840720 [0,1,0,0,0,0|3,0,0]=4 62 B7R0.1 CNCCCCOC Z875082126 [0,1,0,0,0,0|3,0,0]=4 63 B7R0.1 COCCCCC#N Z815260498 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.1 COCCCCCN Z608347192 [0,1,0,0,0,0|2,0,0]=3 65 B7R0.1 COCCCCCO Z993012416 [0,1,0,0,0,0|1,0,0]=2 66 B7R0.1 COCCNCCF Z2512872814 [0,1,0,0,0,0|1,0,0]=2 67 B7R0.1 COCCNCCN Z2940670642 [0,1,0,0,0,0|1,0,0]=2 68 B7R0.1 COCCNCCO Z266088374 [0,1,0,0,0,0|0,0,0]=1 69 B7R0.1 COCCOCC#N Z295206426 [0,1,0,0,0,0|2,0,1]=4 70 B7R0.1 COCCOCCN Z285178622 [0,1,0,0,0,0|2,0,0]=3 71 B7R0.1 COCCOCCO Z849748688 [0,1,0,0,0,0|1,0,0]=2 72 B7R0.1 CSCCCCCN Z823285026 [0,1,0,0,0,0|2,1,0]=4 73 B7R0.1 CSCCCCCO Z968557058 [0,1,0,0,0,0|1,1,0]=3 74 B7R0.1 ClCCCNCCCl Z2242062238 [0,1,0,0,0,0|2,0,0]=3 75 B7R0.1 N#CCCNCCO Z53116581 [0,1,0,0,0,0|1,0,0]=2 76 B7R0.1 NCCCCCCN Z104473514 [0,1,0,0,0,0|3,0,0]=4 77 B7R0.1 NCCOCCCO Z2044949087 [0,1,0,0,0,0|2,0,0]=3 78 B7R0.1 NCCSCCCO Z406685362 [0,1,0,0,0,0|2,0,0]=3 79 B7R0.1 OCCCCCCBr Z1255398867 [0,1,0,0,0,0|2,0,0]=3 80 B7R0.1 OCCCCCCO Z104473540 [0,1,0,0,0,0|1,0,0]=2 81 B7R0.1 OCCCNCCO Z104654390 [0,1,0,0,0,0|0,0,0]=1 82 B7R0.1 OCCCOCCO Z1373668758 [0,1,0,0,0,0|1,0,0]=2 83 B7R0.1 OCCCSCCO Z149155194 [0,1,0,0,0,0|1,0,0]=2 84 B7R0.1 OCCSSCCO Z1255415413 [0,1,0,0,0,0|1,0,0]=2 85 B7R0.3 CC(CN)CCCO Z2234185702 [0,1,0,0,0,0|2,0,0]=3 86 B7R0.3 CCC(=O)NCCN Z1455674775 [0,1,0,0,0,0|2,0,1]=4 87 B7R0.3 CCC(C)NCCO Z335251014 [0,1,0,0,0,0|1,0,0]=2 88 B7R0.3 CCC(O)CCCN Z1259162031 [0,1,0,0,0,0|3,0,0]=4 89 B7R0.3 CCCCC(N)CC Z3303777618 [0,1,0,0,0,0|3,0,0]=4 90 B7R0.3 CCCCC(N)CN Z756921038 [0,1,0,0,0,0|3,0,0]=4 91 B7R0.3 CCCNC(=O)CC Z33030426 [0,1,0,0,0,0|2,0,1]=4 92 B7R0.3 CCOCC(O)CO Z1178483452 [0,1,0,0,0,0|3,0,0]=4 93 B7R0.3 CNC(=O)NCCO Z177090556 [0,1,0,0,0,0|2,0,1]=4 94 B7R0.3 NCC(=O)NCCO Z401366912 [0,1,0,0,0,0|1,0,1]=3 95 B7R0.3 O=C(CO)NCCO Z1203732626 [0,1,0,0,0,0|0,0,1]=2 96 B7R0.4 C#CCNCC(=O)O Z2513337624 [0,1,0,0,0,0|1,0,2]=4 97 B7R0.4 C#CCNCC(F)F Z4310466933 [0,1,0,0,0,0|2,0,1]=4 98 B7R0.4 C=CCNCC(=O)O Z803145546 [0,1,0,0,0,0|1,0,2]=4 99 B7R0.4 CC(C)C/C=C/CO Z1813145997 [0,1,0,0,0,0|2,0,1]=4 100 B7R0.4 CC(C)CCCCN Z1250132304 [0,1,0,0,0,0|3,0,0]=4 101 B7R0.4 CC(C)CNCCO Z3269089575 [0,1,0,0,0,0|1,0,0]=2 102 B7R0.4 CC(C)COCCN Z594038266 [0,1,0,0,0,0|3,0,0]=4 103 B7R0.4 CC(C)CSCCN Z1520645037 [0,1,0,0,0,0|3,0,0]=4 104 B7R0.4 CC(C)NCCCO Z56799938 [0,1,0,0,0,0|3,0,0]=4 105 B7R0.4 CC(C)OCCCO Z1080358780 [0,1,0,0,0,0|3,0,0]=4 106 B7R0.4 CC(N)CCCCN Z2186882580 [0,1,0,0,0,0|3,0,0]=4 107 B7R0.4 CC(N)CCCCO Z2234185667 [0,1,0,0,0,0|2,0,0]=3 108 B7R0.4 CCCCCC(=O)O Z104503532 [0,1,0,0,0,0|2,0,1]=4 109 B7R0.4 CCCCCC(C)N Z104495176 [0,1,0,0,0,0|3,0,0]=4 110 B7R0.4 CCCNCC(=O)N Z2211231296 [0,1,0,0,0,0|1,0,2]=4 111 B7R0.4 CCCNCC(=O)O Z744582718 [0,1,0,0,0,0|1,0,1]=3 112 B7R0.4 CCCNCC(C)C Z90518190 [0,1,0,0,0,0|2,0,0]=3 113 B7R0.4 CCCNCC(F)F Z1262250827 [0,1,0,0,0,0|2,0,0]=3 114 B7R0.4 CCCOCC(=O)O Z406677750 [0,1,0,0,0,0|2,0,1]=4 115 B7R0.4 CCCSCC(=O)O Z228425458 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.4 COCCCC(C)O Z854048762 [0,1,0,0,0,0|3,0,0]=4 117 B7R0.4 NC(=O)COCCO Z1198148880 [0,1,0,0,0,0|1,0,2]=4 118 B7R0.4 NCCCCC(=O)O Z271111992 [0,1,0,0,0,0|2,0,1]=4 119 B7R0.4 NCCCCC(F)F Z4580667156 [0,1,0,0,0,0|3,0,0]=4 120 B7R0.4 NCCNCC(=O)O Z2692249907 [0,1,0,0,0,0|1,0,1]=3 121 B7R0.4 NCCOCC(=O)O Z1650039500 [0,1,0,0,0,0|2,0,1]=4 122 B7R0.4 NCCSCC(=O)O Z1381287295 [0,1,0,0,0,0|2,0,1]=4 123 B7R0.4 O=C(O)CCCCBr Z104479696 [0,1,0,0,0,0|2,0,1]=4 124 B7R0.4 O=C(O)CCCCS Z808230828 [0,1,0,0,0,0|1,1,1]=4 125 B7R0.4 O=C(O)CNCCO Z425411352 [0,1,0,0,0,0|0,0,1]=2 126 B7R0.4 O=C([O-])CCCCO Z2335631573 [0,1,0,0,0,0|1,0,2]=4 127 B7R0.4 O=C([O-])COCCO Z1744715804 [0,1,0,0,0,0|1,0,2]=4 128 B7R0.4 OCCNCC(F)F Z608352548 [0,1,0,0,0,0|1,0,0]=2 129 B7R0.4 OCCOCC(F)F Z1251415632 [0,1,0,0,0,0|2,0,0]=3 130 B7R0.7 C#CCN(C)CCO Z137708158 [0,1,0,0,0,0|1,0,1]=3 131 B7R0.7 CCCC(C)CCN Z2768767726 [0,1,0,0,0,0|3,0,0]=4 132 B7R0.7 CCCC(O)CCO Z1198158209 [0,1,0,0,0,0|2,0,0]=3 133 B7R0.7 CCNC(=O)CCO Z975909368 [0,1,0,0,0,0|3,0,0]=4 134 B7R0.7 COCC(N)CCO Z1238548168 [0,1,0,0,0,0|3,0,0]=4 135 B7R0.7 NCCC(N)CCN Z4461966452 [0,1,0,0,0,0|3,0,0]=4 136 B7R0.7 NCCC(O)CCN Z4497194547 [0,1,0,0,0,0|3,0,0]=4 137 B7R1.1 BrCC1CCCO1 Z90660999 [0,0,0,1,0,0|2,0,0]=3 138 B7R1.1 C#CC1CCCN1 Z1203832764 [0,0,0,1,0,0|2,0,1]=4 139 B7R1.1 CCC1CCCN1 Z281773802 [0,0,0,1,0,0|2,0,0]=3 140 B7R1.1 ClCC1CCCO1 Z56893271 [0,0,0,1,0,0|2,0,0]=3 141 B7R1.1 FCC1CCCN1 Z2216711551 [0,0,0,1,0,0|2,0,0]=3 142 B7R1.1 N#CC1CCCO1 Z1079178976 [0,0,0,1,0,0|2,0,1]=4 143 B7R1.1 NCC1=NCCN1 Z2714784585 [0,0,0,1,0,0|2,0,1]=4 144 B7R1.1 NCC1CCCC1 Z367452206 [0,0,0,1,0,0|3,0,0]=4 145 B7R1.1 NCC1CCCS1 Z1201677924 [0,0,0,1,0,0|2,1,0]=4 146 B7R1.1 NCC1COCO1 Z2298138033 [0,0,0,1,0,0|3,0,0]=4 147 B7R1.1 NC[C@@H]1CCCN1 Z3235020468 [0,0,0,1,0,0|2,0,0]=3 148 B7R1.1 NC[C@H]1CCCN1 Z1483956794 [0,0,0,1,0,0|2,0,0]=3 149 B7R1.1 OCC1CCCC1 Z397587414 [0,0,0,1,0,0|2,0,0]=3 150 B7R1.1 OCC1CCCN1 Z825308062 [0,0,0,1,0,0|1,0,0]=2 151 B7R1.1 OCC1CCCS1 Z1201679857 [0,0,0,1,0,0|1,1,0]=3 152 B7R1.1 OCC1CCNC1 Z976722188 [0,0,0,1,0,0|3,0,0]=4 153 B7R1.1 OCC1CCOC1 Z335245192 [0,0,0,1,0,0|3,0,0]=4 154 B7R1.1 OCC1CCSC1 Z1201679855 [0,0,0,1,0,0|3,0,0]=4 155 B7R1.1 OC[C@@H]1CCCN1 Z1123715411 [0,0,0,1,0,0|1,0,0]=2 156 B7R1.3 CC1=CCCNC1 Z2143573194 [0,0,0,1,0,0|2,0,1]=4 157 B7R1.3 CC1CNCCN1 Z104480242 [0,0,0,1,0,0|2,0,0]=3 158 B7R1.3 CC1CNCCO1 Z204013884 [0,0,0,1,0,0|1,0,0]=2 159 B7R1.3 CC1CNCCS1 Z334686272 [0,0,0,1,0,0|1,1,0]=3 160 B7R1.3 CC1COCCN1 Z336087928 [0,0,0,1,0,0|3,0,0]=4 161 B7R1.3 CC1CSCCN1 Z334686282 [0,0,0,1,0,0|3,0,0]=4 162 B7R1.3 C[C@H]1CCCNC1 Z1895741201 [0,0,0,1,0,0|2,0,0]=3 163 B7R1.3 C[C@H]1CNCCN1 Z1187834254 [0,0,0,1,0,0|2,0,0]=3 164 B7R1.3 FC1=CCCNC1 Z1570657372 [0,0,0,1,0,0|2,0,1]=4 165 B7R1.3 NC1CCCCC1 Z1945707495 [0,0,0,1,0,0|3,0,0]=4 166 B7R1.3 NC1CCCOC1 Z1013492300 [0,0,0,1,0,0|3,0,0]=4 167 B7R1.3 NC1CCCSC1 Z1029463244 [0,0,0,1,0,0|3,0,0]=4 168 B7R1.3 O=C1CCCCO1 Z432085120 [0,0,0,1,0,0|1,0,2]=4 169 B7R1.3 O=C1CCCNC1 Z3063726909 [0,0,0,1,0,0|1,0,2]=4 170 B7R1.3 O=C1CNCCN1 Z56968535 [0,0,0,1,0,0|1,0,2]=4 171 B7R1.3 O=C1NNCCO1 Z2732442016 [0,0,0,1,0,0|1,0,2]=4 172 B7R1.3 OC1CCCCC1 Z104473498 [0,0,0,1,0,0|2,0,0]=3 173 B7R1.3 OC1CCCSC1 Z993818972 [0,0,0,1,0,0|2,0,0]=3 174 B7R1.3 OC1CCNCC1 Z56347197 [0,0,0,1,0,0|3,0,0]=4 175 B7R1.3 OC1CCOCC1 Z1359429523 [0,0,0,1,0,0|3,0,0]=4 176 B7R1.3 OC1CCONC1 Z3325124334 [0,0,0,1,0,0|2,0,0]=3 177 B7R1.3 OC1CNCCO1 Z1428160315 [0,0,0,1,0,0|0,0,0]=1 178 B7R1.3 OC1COCOC1 Z431564488 [0,0,0,1,0,0|3,0,0]=4 179 B7R1.4 CC1CCCC1N Z1219738990 [0,0,0,1,0,0|3,0,0]=4 180 B7R1.4 CC1CNCC1C Z1281657986 [0,0,0,1,0,0|2,0,0]=3 181 B7R1.4 C[C@@H]1CCC[C@@H]1N Z2309845262 [0,0,0,1,0,0|3,0,0]=4 182 B7R1.4 C[C@@H]1CCC[C@H]1N Z2568757690 [0,0,0,1,0,0|3,0,0]=4 183 B7R1.4 C[C@@H]1CNC[C@@H]1O Z2309845194 [0,0,0,1,0,0|1,0,0]=2 184 B7R1.4 C[C@@H]1NCC[C@H]1O Z2235678880 [0,0,0,1,0,0|3,0,0]=4 185 B7R1.4 N[C@@H]1CCC[C@@H]1O Z2306841441 [0,0,0,1,0,0|2,0,0]=3 186 B7R1.4 N[C@@H]1CCC[C@H]1N Z2786079696 [0,0,0,1,0,0|3,0,0]=4 187 B7R1.4 N[C@@H]1CCC[C@H]1O Z2256393934 [0,0,0,1,0,0|2,0,0]=3 188 B7R1.4 N[C@@H]1COC[C@@H]1F Z2756848808 [0,0,0,1,0,0|3,0,0]=4 189 B7R1.4 N[C@@H]1COC[C@H]1F Z4185697479 [0,0,0,1,0,0|3,0,0]=4 190 B7R1.4 N[C@@H]1COC[C@H]1N Z2306914123 [0,0,0,1,0,0|3,0,0]=4 191 B7R1.4 N[C@@H]1CSC[C@@H]1O Z3068057819 [0,0,0,1,0,0|2,0,0]=3 192 B7R1.4 N[C@H]1CCC[C@@H]1O Z1197994837 [0,0,0,1,0,0|2,0,0]=3 193 B7R1.4 N[C@H]1CNC[C@H]1N Z4670285097 [0,0,0,1,0,0|2,0,0]=3 194 B7R1.4 OC1CCCC1O Z600452564 [0,0,0,1,0,0|1,0,0]=2 195 B7R1.4 OC1CNCC1O Z1147229592 [0,0,0,1,0,0|0,0,0]=1 196 B7R1.4 O[C@@H]1CNC[C@H]1F Z2307368320 [0,0,0,1,0,0|1,0,0]=2 197 B7R1.4 O[C@@H]1CNC[C@H]1O Z2309778206 [0,0,0,1,0,0|0,0,0]=1 198 B7R1.4 O[C@H]1CNC[C@H]1O Z1318268689 [0,0,0,1,0,0|0,0,0]=1 199 B7R1.5 CC1CC1CCN Z4888675966 [0,0,0,1,0,0|3,0,0]=4 200 B7R1.5 CCC[C@@H]1C[C@H]1N Z2298098035 [0,0,0,1,0,0|3,0,0]=4 201 B7R1.6 NCCC1CCC1 Z1405445718 [0,0,0,1,0,0|3,0,0]=4 202 B7R1.6 NCCN1CCC1 Z1203582961 [0,0,0,1,0,0|2,0,0]=3 203 B7R1.7 C#CCNC1CC1 Z138414626 [0,0,0,1,0,0|2,0,1]=4 204 B7R1.7 C=CCCC1CO1 Z1255485443 [0,0,0,1,0,0|2,0,1]=4 205 B7R1.7 C=CCNC1CC1 Z2142036642 [0,0,0,1,0,0|2,0,1]=4 206 B7R1.7 CCCCC1CO1 Z1020679810 [0,0,0,1,0,0|2,0,0]=3 207 B7R1.7 CCOCC1CO1 Z271128258 [0,0,0,1,0,0|3,0,0]=4 208 B7R1.7 COCCC1CO1 Z1495386141 [0,0,0,1,0,0|3,0,0]=4 209 B7R1.7 FCCNC1CC1 Z5629279666 [0,0,0,1,0,0|2,0,0]=3 210 B7R1.7 N#CCNC1CC1 Z235643824 [0,0,0,1,0,0|2,0,1]=4 211 B7R1.7 NCCCC1CC1 Z2465611603 [0,0,0,1,0,0|3,0,0]=4 212 B7R1.7 NCCNC1CC1 Z756920128 [0,0,0,1,0,0|2,0,0]=3 213 B7R1.7 NCCOC1CC1 Z2786559006 [0,0,0,1,0,0|3,0,0]=4 214 B7R1.7 OCCNC1CC1 Z285050134 [0,0,0,1,0,0|1,0,0]=2 215 B7R1.8 CN[C@@H]1CC[C@H]1O Z2678247023 [0,0,0,1,0,0|3,0,0]=4 216 B7R1.9 CC[C@@H]1C[C@H]1CN Z2235810238 [0,0,0,1,0,0|3,0,0]=4 217 B7R1.9 ClC[C@H]1O[C@H]1CCl Z1205660922 [0,0,0,1,0,0|3,0,0]=4 218 B7R1.24 C1=CCCNCC1 Z1255363448 [0,0,0,1,0,0|2,0,0]=3 219 B7R1.24 C1CCCNCC1 Z57127566 [0,0,0,1,0,0|2,0,0]=3 220 B7R1.24 C1CCNOCC1 Z1824482753 [0,0,0,1,0,0|2,0,0]=3 221 B7R1.24 C1CNCCOC1 Z359510198 [0,0,0,1,0,0|1,0,0]=2 222 B7R1.24 C1CNCCSC1 Z1954803255 [0,0,0,1,0,0|1,1,0]=3 223 B7R1.24 C1CSSCCN1 Z1203735354 [0,0,0,1,0,0|0,2,0]=3 224 B4R0.2 CCCC#N Z238878246 [2,0,0,0,0,0|1,0,1]=4 225 B4R0.2 CCCCN Z104474314 [2,0,0,0,0,0|1,0,0]=3 226 B4R0.2 CCCCO Z104473488 [2,0,0,0,0,0|0,0,0]=2 227 B4R0.2 CCCNN Z415728048 [2,0,0,0,0,0|2,0,0]=4 228 B4R0.2 CNCC#N Z1262250834 [2,0,0,0,0,0|1,0,1]=4 229 B4R0.2 COCCO Z104473522 [2,0,0,0,0,0|1,0,0]=3 230 B4R0.2 CSCCO Z149154880 [2,0,0,0,0,0|1,0,0]=3 231 B4R0.2 NCCCN Z104478068 [2,0,0,0,0,0|2,0,0]=4 232 B4R0.2 NCCCO Z56771034 [2,0,0,0,0,0|1,0,0]=3 233 B6R0.1 C=CCC(N)CO Z1815149150 [1,1,0,0,0,0|1,0,1]=4 234 B6R0.1 CC(CN)CCO Z1203581915 [1,1,0,0,0,0|1,0,0]=3 235 B6R0.1 CC(CO)CCN Z5410631465 [1,1,0,0,0,0|1,0,0]=3 236 B6R0.1 CCC(N)CCO Z1258578227 [1,1,0,0,0,0|1,0,0]=3 237 B6R0.1 CCC(O)CCN Z406342052 [1,1,0,0,0,0|2,0,0]=4 238 B6R0.1 CCC(O)CCO Z1198157972 [1,1,0,0,0,0|1,0,0]=3 239 B6R0.1 CCCC(N)CC Z1642389626 [1,1,0,0,0,0|2,0,0]=4 240 B6R0.1 CCCC(N)CN Z425861040 [1,1,0,0,0,0|2,0,0]=4 241 B6R0.1 CCCC(O)CN Z419084742 [1,1,0,0,0,0|2,0,0]=4 242 B6R0.1 CCNC(=O)CN Z54747476 [1,1,0,0,0,0|1,0,1]=4 243 B6R0.1 CCNC(=O)CO Z431952024 [1,1,0,0,0,0|0,0,1]=3 244 B6R0.1 CCNC(C)C#N Z2526709253 [1,1,0,0,0,0|1,0,1]=4 245 B6R0.1 CCNC(C)CC Z2509351098 [1,1,0,0,0,0|1,0,0]=3 246 B6R0.1 CCOC(=O)CO Z385458066 [1,1,0,0,0,0|1,0,1]=4 247 B6R0.1 CCOC(C)CN Z844631802 [1,1,0,0,0,0|2,0,0]=4 248 B6R0.1 CCS(=O)CCN Z1266854910 [1,1,0,0,0,0|2,0,0]=4 249 B6R0.1 CNC(=O)CCO Z975909370 [1,1,0,0,0,0|2,0,0]=4 250 B6R0.1 CNC(C)CCO Z1198266877 [1,1,0,0,0,0|2,0,0]=4 251 B6R0.1 CNC[C@H](O)CO Z600533638 [1,1,0,0,0,0|2,0,0]=4 252 B6R0.1 COCC(C)CO Z1192375999 [1,1,0,0,0,0|2,0,0]=4 253 B6R0.1 COCC(N)CO Z1945984156 [1,1,0,0,0,0|2,0,0]=4 254 B6R0.1 CSC(C)CCO Z1262258908 [1,1,0,0,0,0|2,0,0]=4 255 B6R0.1 CSCC(C)CO Z1270310211 [1,1,0,0,0,0|2,0,0]=4 256 B6R0.1 CSCC(O)CO Z1126770422 [1,1,0,0,0,0|2,0,0]=4 257 B6R0.1 NCC[C@H](F)CN Z4607150940 [1,1,0,0,0,0|2,0,0]=4 258 B6R0.4 C#CCCC(C)O Z854048672 [1,1,0,0,0,0|1,0,1]=4 259 B6R0.4 C#CCNC(C)C Z2855995857 [1,1,0,0,0,0|1,0,1]=4 260 B6R0.4 C=CCNC(C)C Z607822478 [1,1,0,0,0,0|1,0,1]=4 261 B6R0.4 CC(=O)NCCCl Z57983106 [1,1,0,0,0,0|1,0,1]=4 262 B6R0.4 CC(C)CCCN Z992716898 [1,1,0,0,0,0|2,0,0]=4 263 B6R0.4 CC(C)NCC#N Z224190250 [1,1,0,0,0,0|1,0,1]=4 264 B6R0.4 CC(C)NCCN Z3375885739 [1,1,0,0,0,0|1,0,0]=3 265 B6R0.4 CC(C)NCCO Z137800940 [1,1,0,0,0,0|0,0,0]=2 266 B6R0.4 CC(C)OCCN Z1688198421 [1,1,0,0,0,0|2,0,0]=4 267 B6R0.4 CC(C)OCCO Z104478444 [1,1,0,0,0,0|1,0,0]=3 268 B6R0.4 CC(C)SCCN Z2092369402 [1,1,0,0,0,0|2,0,0]=4 269 B6R0.4 CC(N)CCCN Z2230911100 [1,1,0,0,0,0|2,0,0]=4 270 B6R0.4 CC(N)CCCO Z1203578676 [1,1,0,0,0,0|1,0,0]=3 271 B6R0.4 CC(O)CCCN Z1198178891 [1,1,0,0,0,0|1,0,0]=3 272 B6R0.4 CCCCB(O)O Z1147227739 [1,1,0,0,0,0|2,0,0]=4 273 B6R0.4 CCCCC(=O)O Z104473312 [1,1,0,0,0,0|1,0,1]=4 274 B6R0.4 CCCCC(C)N Z3300506318 [1,1,0,0,0,0|2,0,0]=4 275 B6R0.4 CCCNC(=O)C Z33030314 [1,1,0,0,0,0|1,0,1]=4 276 B6R0.4 CCNCC(=O)N Z1459435506 [1,1,0,0,0,0|0,0,2]=4 277 B6R0.4 CCNCC(=O)O Z744593094 [1,1,0,0,0,0|0,0,1]=3 278 B6R0.4 CCNCC(C)C Z380844664 [1,1,0,0,0,0|1,0,0]=3 279 B6R0.4 CCNCC(C)O Z138692768 [1,1,0,0,0,0|0,0,0]=2 280 B6R0.4 CCNCC(F)F Z1691545150 [1,1,0,0,0,0|1,0,0]=3 281 B6R0.4 CCOCC(=O)O Z104495232 [1,1,0,0,0,0|1,0,1]=4 282 B6R0.4 CCOCC(C)N Z839575202 [1,1,0,0,0,0|2,0,0]=4 283 B6R0.4 CCSCC(C)N Z1203641186 [1,1,0,0,0,0|2,0,0]=4 284 B6R0.4 CNCCC(C)O Z1203731868 [1,1,0,0,0,0|2,0,0]=4 285 B6R0.4 COCCC(C)O Z818738042 [1,1,0,0,0,0|2,0,0]=4 286 B6R0.4 N=C(N)NCCO Z911465228 [1,1,0,0,0,0|1,0,1]=4 287 B6R0.4 NC(=O)CCCO Z1203578394 [1,1,0,0,0,0|0,0,2]=4 288 B6R0.4 NCCCC(=O)O Z104475620 [1,1,0,0,0,0|1,0,1]=4 289 B6R0.4 NCCCC(F)F Z1198165810 [1,1,0,0,0,0|2,0,0]=4 290 B6R0.4 NCCCS(=O)O Z1203579399 [1,1,0,0,0,0|2,0,0]=4 291 B6R0.4 O=C(O)CCCS Z147642510 [1,1,0,0,0,0|0,1,1]=4 292 B8R0.1 CCNC(=O)NCCO Z425745170 [0,2,0,0,0,0|1,0,1]=4 293 B8R0.1 CCOC(=O)NCCO Z31725113 [0,2,0,0,0,0|1,0,1]=4 294 B8R0.1 CNCCN(C)CCO Z2526438856 [0,2,0,0,0,0|1,0,0]=3 295 B8R0.1 COCCN(C)CCN Z415691186 [0,2,0,0,0,0|1,0,0]=3 296 B8R0.1 COCCS(=O)CCN Z4500883985 [0,2,0,0,0,0|2,0,0]=4 297 B8R0.1 N#CCC(=O)NCCO Z57906863 [0,2,0,0,0,0|1,0,1]=4 298 B8R0.4 C#CCCCCCCO Z1198157198 [0,2,0,0,0,0|2,0,0]=4 299 B8R0.4 C#CCCNCCOC Z840366364 [0,2,0,0,0,0|1,0,0]=3 300 B8R0.4 CCCCCCCCO Z104473500 [0,2,0,0,0,0|2,0,0]=4 301 B8R0.4 CCCCCNCCO Z137800944 [0,2,0,0,0,0|1,0,0]=3 302 B8R0.4 CCCCNCCCC Z102766286 [0,2,0,0,0,0|2,0,0]=4 303 B8R0.4 CCCCNCCCO Z102766210 [0,2,0,0,0,0|1,0,0]=3 304 B8R0.4 CCOCCOCCN Z2900987685 [0,2,0,0,0,0|2,0,0]=4 305 B8R0.4 COCCCNCCO Z382722010 [0,2,0,0,0,0|0,0,0]=2 306 B8R0.4 COCCNCCC#N Z53116037 [0,2,0,0,0,0|1,0,0]=3 307 B8R0.4 COCCNCCCN Z970105370 [0,2,0,0,0,0|1,0,0]=3 308 B8R0.4 COCCNCCOC Z104475212 [0,2,0,0,0,0|0,0,0]=2 309 B8R0.4 COCCOCCC#N Z317037866 [0,2,0,0,0,0|2,0,0]=4 310 B8R0.4 COCCOCCCO Z1080358808 [0,2,0,0,0,0|1,0,0]=3 311 B8R0.4 COCCOCCOC Z104473160 [0,2,0,0,0,0|1,0,0]=3 312 B8R0.4 NCCCCCCCO Z3016956569 [0,2,0,0,0,0|2,0,0]=4 313 B8R0.4 NCCCNCCCN Z1203577926 [0,2,0,0,0,0|2,0,0]=4 314 B8R0.4 OCCCNCCCO Z104684334 [0,2,0,0,0,0|0,0,0]=2 315 B8R0.6 CC(CO)CSCCO Z1270309408 [0,2,0,0,0,0|1,0,0]=3 316 B8R0.6 CCCNCC(=O)OC Z1836338844 [0,2,0,0,0,0|1,0,1]=4 317 B8R0.6 COCCNC(=O)CCl Z56887684 [0,2,0,0,0,0|1,0,1]=4 318 B8R0.7 C#CCCNCC(=O)O Z4916843541 [0,2,0,0,0,0|1,0,1]=4 319 B8R0.7 C=CCNCCC(=O)O Z3388124649 [0,2,0,0,0,0|1,0,1]=4 320 B8R0.7 CC(C)CCCCCO Z1198149583 [0,2,0,0,0,0|2,0,0]=4 321 B8R0.7 CC(C)CCNCCO Z102766092 [0,2,0,0,0,0|1,0,0]=3 322 B8R0.7 CC(C)CCOCCO Z608482468 [0,2,0,0,0,0|2,0,0]=4 323 B8R0.7 CC(C)COCCCO Z1080358758 [0,2,0,0,0,0|2,0,0]=4 324 B8R0.7 CC(C)OCCCCO Z993012606 [0,2,0,0,0,0|2,0,0]=4 325 B8R0.7 CCCCCCC(=O)O Z104474412 [0,2,0,0,0,0|2,0,0]=4 326 B8R0.7 CCCNCCC(=O)O Z2944330072 [0,2,0,0,0,0|1,0,0]=3 327 B8R0.7 CCCNCCN(C)C Z1250222486 [0,2,0,0,0,0|2,0,0]=4 328 B8R0.7 CN(C)CCCCCO Z968555516 [0,2,0,0,0,0|2,0,0]=4 329 B8R0.7 CN(C)CCNCCO Z137800968 [0,2,0,0,0,0|1,0,0]=3 330 B8R0.7 COCCCCC(=O)O Z362633826 [0,2,0,0,0,0|1,0,1]=4 331 B8R0.7 COCCNCC(=O)N Z1262250392 [0,2,0,0,0,0|0,0,2]=4 332 B8R0.7 COCCNCC(=O)O Z1276446903 [0,2,0,0,0,0|0,0,1]=3 333 B8R0.7 COCCNCC(C)C Z90501879 [0,2,0,0,0,0|1,0,0]=3 334 B8R0.7 COCCNCC(F)F Z1262327544 [0,2,0,0,0,0|1,0,0]=3 335 B8R0.7 COCCOCC(=O)O Z104477918 [0,2,0,0,0,0|1,0,1]=4 336 B8R0.7 COCCOCC(C)N Z1262237318 [0,2,0,0,0,0|2,0,0]=4 337 B8R0.7 COCCSCC(=O)O Z167837764 [0,2,0,0,0,0|1,0,1]=4 338 B8R0.7 CSCCNCC(=O)O Z2512524162 [0,2,0,0,0,0|0,1,1]=4 339 B8R0.7 NCCCCCC(=O)O Z1272730910 [0,2,0,0,0,0|2,0,0]=4 340 B8R0.7 NCCOCCC(=O)O Z1262546494 [0,2,0,0,0,0|2,0,0]=4 341 B8R0.7 O=C(O)CCCCCBr Z104477716 [0,2,0,0,0,0|2,0,0]=4 342 B8R0.7 O=C(O)CCCCCF Z1205494157 [0,2,0,0,0,0|2,0,0]=4 343 B8R0.7 O=C(O)CCNCCO Z53116574 [0,2,0,0,0,0|0,0,0]=2 344 B8R0.7 O=C([O-])CNCCCO Z5147896273 [0,2,0,0,0,0|0,0,2]=4 345 B8R0.7 OCCCOCC(F)F Z1532734938 [0,2,0,0,0,0|2,0,0]=4 346 B8R0.3 CCC(C)N(C)CCN Z409206004 [0,2,0,0,0,0|2,0,0]=4 347 B8R0.3 CCCC(C)C(N)CO Z2379035176 [0,2,0,0,0,0|2,0,0]=4 348 B8R0.8 CCCCC(N)C(C)O Z2453175125 [0,2,0,0,0,0|2,0,0]=4 349 B8R0.8 C[C@H](N)C(=O)NCCO Z1398462031 [0,2,0,0,0,0|1,0,1]=4 350 B8R0.9 CC(C)CCC(N)CO Z1198179431 [0,2,0,0,0,0|2,0,0]=4 351 B8R0.9 CC(C)CCC(O)CO Z1617994519 [0,2,0,0,0,0|2,0,0]=4 352 B8R0.9 CC(C)COC(C)CO Z1896289316 [0,2,0,0,0,0|2,0,0]=4 353 B8R0.9 CC(O)CNC(C)CO Z600449192 [0,2,0,0,0,0|0,0,0]=2 354 B8R0.9 CCC(C)NCC(=O)O Z425484950 [0,2,0,0,0,0|1,0,1]=4 355 B8R0.9 C[C@@H](CN)NCC(F)F Z1881598209 [0,2,0,0,0,0|2,0,0]=4 356 B8R0.11 CCC(CC)CCCO Z1198265454 [0,2,0,0,0,0|2,0,0]=4 357 B8R0.11 CCC(CC)NCCN Z600492708 [0,2,0,0,0,0|2,0,0]=4 358 B8R0.11 CCC(CC)NCCO Z335251710 [0,2,0,0,0,0|1,0,0]=3 359 B8R0.19 CC(CO)CC(C)CO Z1509057634 [0,2,0,0,0,0|1,0,0]=3 360 B8R0.19 CC(CO)OC(C)CO Z1198222881 [0,2,0,0,0,0|1,0,0]=3 361 B8R0.19 CCC(C)CC(N)CO Z1198179422 [0,2,0,0,0,0|2,0,0]=4 362 B8R0.19 CCC(N)CC(C)CO Z1270456881 [0,2,0,0,0,0|2,0,0]=4 363 B8R0.25 CC(C)(CN)CCCO Z1251362804 [0,2,0,0,0,0|2,0,0]=4 364 B8R0.25 CC(C)(CN)OCCO Z4912053140 [0,2,0,0,0,0|2,0,0]=4 365 B8R0.25 CC(C)(CO)CCCN Z1203160200 [0,2,0,0,0,0|2,0,0]=4 366 B8R0.25 CC(C)(CO)NCCO Z425728002 [0,2,0,0,0,0|0,0,0]=2 367 B8R0.25 CCCCC(C)(N)CO Z2379804923 [0,2,0,0,0,0|2,0,0]=4 368 B8R0.5 CC(C)CC(N)CCO Z223025192 [0,2,0,0,0,0|2,0,0]=4 369 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [0,2,0,0,0,0|1,0,1]=4 370 B8R0.21 CC(C)(O)CCCCO Z1725965028 [0,2,0,0,0,0|1,0,0]=3 371 B8R0.21 CC(C)(O)COCCN Z1262687778 [0,2,0,0,0,0|2,0,0]=4 372 B8R0.21 CCCNCC(C)(C)O Z600453870 [0,2,0,0,0,0|1,0,0]=3 373 B8R0.21 CCCNCC(F)(F)F Z398556970 [0,2,0,0,0,0|2,0,0]=4 374 B8R0.21 OCCCCC(F)(F)F Z991547650 [0,2,0,0,0,0|2,0,0]=4 375 B8R0.21 OCCNCC(F)(F)F Z335285384 [0,2,0,0,0,0|1,0,0]=3 376 B8R0.21 OCCOCC(F)(F)F Z820715426 [0,2,0,0,0,0|2,0,0]=4 377 B8R0.21 OCCSCC(F)(F)F Z425753086 [0,2,0,0,0,0|2,0,0]=4 378 B8R0.28 CC(C)CNCC(=O)O Z1259273209 [0,2,0,0,0,0|1,0,1]=4 379 B8R0.28 CC(C)CNCC(C)C Z90514122 [0,2,0,0,0,0|2,0,0]=4 380 B8R0.28 CC(O)CNCC(=O)[O-] Z3690977946 [0,2,0,0,0,0|0,0,2]=4 381 B8R0.28 FC(F)CNCC(F)F Z2855124391 [0,2,0,0,0,0|2,0,0]=4 382 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [0,2,0,0,0,0|0,0,2]=4 383 B8R0.22 CCCC(CN)CCO Z1269766401 [0,2,0,0,0,0|2,0,0]=4 384 B8R0.22 CCCN(CC)CCN Z409194874 [0,2,0,0,0,0|2,0,0]=4 385 B8R0.30 CCCS(=O)(=O)CCO Z1255424700 [0,2,0,0,0,0|2,0,0]=4 386 B8R0.30 NCCS(=O)(=O)CCO Z4368903179 [0,2,0,0,0,0|2,0,0]=4 387 B6R1.1 C1=CCCCC1 Z104474726 [1,0,0,1,0,0|2,0,0]=4 388 B6R1.1 C1=CCNCC1 Z1623864216 [1,0,0,1,0,0|1,0,1]=4 389 B6R1.1 C1CCONC1 Z1787355355 [1,0,0,1,0,0|1,0,0]=3 390 B6R1.1 C1CNCCN1 Z1245537944 [1,0,0,1,0,0|1,0,0]=3 391 B6R1.1 C1COCCN1 Z57127568 [1,0,0,1,0,0|0,0,0]=2 392 B6R1.1 C1CSCCN1 Z352252014 [1,0,0,1,0,0|0,1,0]=3 393 B6R1.2 C=C1CCNC1 Z3019986853 [1,0,0,1,0,0|1,0,1]=4 394 B6R1.2 CC1=NCCN1 Z204020260 [1,0,0,1,0,0|1,0,1]=4 395 B6R1.2 CC1CCCN1 Z1274177652 [1,0,0,1,0,0|1,0,0]=3 396 B6R1.2 CC1CCNC1 Z729771722 [1,0,0,1,0,0|1,0,0]=3 397 B6R1.2 CC1CNNC1 Z4953319766 [1,0,0,1,0,0|2,0,0]=4 398 B6R1.2 FC1CCNC1 Z1139751347 [1,0,0,1,0,0|1,0,0]=3 399 B6R1.2 NC1CCOC1 Z802544198 [1,0,0,1,0,0|2,0,0]=4 400 B6R1.2 NC1CCSC1 Z1267885911 [1,0,0,1,0,0|2,0,0]=4 401 B6R1.2 O=C1CCNC1 Z1741976513 [1,0,0,1,0,0|0,0,2]=4 402 B6R1.2 O=C1NCCO1 Z104474784 [1,0,0,1,0,0|0,0,2]=4 403 B6R1.2 OC1C=CCC1 Z1255485846 [1,0,0,1,0,0|1,0,1]=4 404 B6R1.2 OC1CCOC1 Z1124541349 [1,0,0,1,0,0|1,0,0]=3 405 B6R1.2 OC1CCSC1 Z335244836 [1,0,0,1,0,0|1,0,0]=3 406 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [1,0,0,1,0,0|0,0,0]=2 407 B6R1.2 O[C@H]1CCNC1 Z1263714116 [1,0,0,1,0,0|0,0,0]=2 408 B6R1.3 ClCCC1CO1 Z1205657512 [1,0,0,1,0,0|1,0,0]=3 409 B6R1.3 NCCC1CC1 Z1267773823 [1,0,0,1,0,0|2,0,0]=4 410 B6R1.3 OCCC1CC1 Z826525694 [1,0,0,1,0,0|1,0,0]=3 411 B6R1.4 CC1CCC1N Z2082999653 [1,0,0,1,0,0|2,0,0]=4 412 B6R1.6 NCC1CCC1 Z381061564 [1,0,0,1,0,0|2,0,0]=4 413 B6R1.8 CC1CC1CN Z415636622 [1,0,0,1,0,0|2,0,0]=4 414 B6R1.8 CC1CC1CO Z397587430 [1,0,0,1,0,0|1,0,0]=3 415 B6R1.8 CC1OC1CCl Z1205657581 [1,0,0,1,0,0|2,0,0]=4 416 B6R1.8 N[C@@H]1C[C@H]1CF Z3085640372 [1,0,0,1,0,0|2,0,0]=4 417 B8R1.2 BrCC1CCCCO1 Z104484248 [0,1,0,1,0,0|2,0,0]=4 418 B8R1.2 C#CC1CCCNC1 Z1741980183 [0,1,0,1,0,0|2,0,0]=4 419 B8R1.2 C#CC1COCCN1 Z2235775085 [0,1,0,1,0,0|1,0,1]=4 420 B8R1.2 C=CC1CCCNC1 Z2740400893 [0,1,0,1,0,0|2,0,0]=4 421 B8R1.2 CCC1CCCCN1 Z839028612 [0,1,0,1,0,0|2,0,0]=4 422 B8R1.2 CCC1CCCNC1 Z381019246 [0,1,0,1,0,0|2,0,0]=4 423 B8R1.2 CCC1CNCCN1 Z3234914816 [0,1,0,1,0,0|2,0,0]=4 424 B8R1.2 CCC1CNCCO1 Z283724556 [0,1,0,1,0,0|1,0,0]=3 425 B8R1.2 CCC1CNCCS1 Z1203735378 [0,1,0,1,0,0|1,1,0]=4 426 B8R1.2 CCC1COCCN1 Z405749950 [0,1,0,1,0,0|1,0,0]=3 427 B8R1.2 COC1C=CCNC1 Z3615520660 [0,1,0,1,0,0|1,0,1]=4 428 B8R1.2 COC1CNCCO1 Z1203748232 [0,1,0,1,0,0|0,0,0]=2 429 B8R1.2 ClCC1CCOCO1 Z56932992 [0,1,0,1,0,0|2,0,0]=4 430 B8R1.2 ClCC1CNCCO1 Z1198749808 [0,1,0,1,0,0|1,0,0]=3 431 B8R1.2 FCC1CCCNC1 Z2768770399 [0,1,0,1,0,0|2,0,0]=4 432 B8R1.2 FCC1CNCCO1 Z1262569974 [0,1,0,1,0,0|1,0,0]=3 433 B8R1.2 N#CC1CCCNC1 Z1198184383 [0,1,0,1,0,0|2,0,0]=4 434 B8R1.2 N#CC1CNCCN1 Z1741976055 [0,1,0,1,0,0|2,0,0]=4 435 B8R1.2 N#CC1CNCCO1 Z1263820378 [0,1,0,1,0,0|1,0,0]=3 436 B8R1.2 N#CC1COCCN1 Z1198234963 [0,1,0,1,0,0|1,0,1]=4 437 B8R1.2 N#CC1CSCCO1 Z1356110445 [0,1,0,1,0,0|2,0,0]=4 438 B8R1.2 NCC1CCCCO1 Z839575544 [0,1,0,1,0,0|2,0,0]=4 439 B8R1.2 NCC1CCOCO1 Z1431005851 [0,1,0,1,0,0|2,0,0]=4 440 B8R1.2 NCC1COCCN1 Z2768165249 [0,1,0,1,0,0|1,0,0]=3 441 B8R1.2 NCC1CSCCN1 Z1203585142 [0,1,0,1,0,0|1,1,0]=4 442 B8R1.2 NC[C@H]1CCCNC1 Z2686452674 [0,1,0,1,0,0|2,0,0]=4 443 B8R1.2 NOC1CCCCO1 Z968560364 [0,1,0,1,0,0|1,0,0]=3 444 B8R1.2 O=CC1CCCCO1 Z1079442734 [0,1,0,1,0,0|1,0,1]=4 445 B8R1.2 OCC1=COCCO1 Z1101443027 [0,1,0,1,0,0|1,0,1]=4 446 B8R1.2 OCC1C=CCCN1 Z4430264645 [0,1,0,1,0,0|1,0,0]=3 447 B8R1.2 OCC1CCCCC1 Z104503428 [0,1,0,1,0,0|2,0,0]=4 448 B8R1.2 OCC1CCCCN1 Z104476610 [0,1,0,1,0,0|1,0,0]=3 449 B8R1.2 OCC1CCCCO1 Z104479808 [0,1,0,1,0,0|1,0,0]=3 450 B8R1.2 OCC1CCCNC1 Z104479614 [0,1,0,1,0,0|1,0,0]=3 451 B8R1.2 OCC1CCCOC1 Z445213352 [0,1,0,1,0,0|1,0,0]=3 452 B8R1.2 OCC1CCNCC1 Z380864362 [0,1,0,1,0,0|2,0,0]=4 453 B8R1.2 OCC1CCOCC1 Z979753218 [0,1,0,1,0,0|2,0,0]=4 454 B8R1.2 OCC1CCSCC1 Z1198266791 [0,1,0,1,0,0|2,0,0]=4 455 B8R1.2 OCC1CNCCO1 Z1235945999 [0,1,0,1,0,0|0,0,0]=2 456 B8R1.2 OCC1COCCN1 Z2513335525 [0,1,0,1,0,0|0,0,0]=2 457 B8R1.2 OCC1COCCO1 Z1020816972 [0,1,0,1,0,0|1,0,0]=3 458 B8R1.2 OCC1CSCCN1 Z1203733048 [0,1,0,1,0,0|0,1,0]=3 459 B8R1.2 OC[C@H]1CCCCN1 Z1203731003 [0,1,0,1,0,0|1,0,0]=3 460 B8R1.5 CC1CCCCC1O Z104478402 [0,1,0,1,0,0|2,0,0]=4 461 B8R1.5 CC1CCCNC1C Z959345762 [0,1,0,1,0,0|2,0,0]=4 462 B8R1.5 CC1CCNCC1N Z4351244628 [0,1,0,1,0,0|2,0,0]=4 463 B8R1.5 CC1CNCCC1=O Z1741969235 [0,1,0,1,0,0|1,0,1]=4 464 B8R1.5 CC1CNCCC1O Z1742055068 [0,1,0,1,0,0|1,0,0]=3 465 B8R1.5 CC1CNCCN1C Z2408371461 [0,1,0,1,0,0|2,0,0]=4 466 B8R1.5 CC1COCCC1O Z1255390393 [0,1,0,1,0,0|2,0,0]=4 467 B8R1.5 CC1NCCCC1O Z2235409289 [0,1,0,1,0,0|1,0,0]=3 468 B8R1.5 CC1NCCNC1C Z1255428000 [0,1,0,1,0,0|2,0,0]=4 469 B8R1.5 CC1NCCOC1C Z1187835063 [0,1,0,1,0,0|1,0,0]=3 470 B8R1.5 C[C@@H]1CCCC[C@H]1O Z1896168809 [0,1,0,1,0,0|2,0,0]=4 471 B8R1.5 C[C@@H]1CCNC[C@@H]1O Z2307368538 [0,1,0,1,0,0|1,0,0]=3 472 B8R1.5 C[C@@H]1NCCC[C@@H]1N Z5041247026 [0,1,0,1,0,0|2,0,0]=4 473 B8R1.5 C[C@@H]1NCCC[C@@H]1O Z2568757708 [0,1,0,1,0,0|1,0,0]=3 474 B8R1.5 C[C@@H]1NCCO[C@@H]1C Z2412195478 [0,1,0,1,0,0|1,0,0]=3 475 B8R1.5 C[C@@H]1NCCO[C@H]1C Z4524514028 [0,1,0,1,0,0|1,0,0]=3 476 B8R1.5 C[C@H]1CCCC[C@@H]1O Z1255486326 [0,1,0,1,0,0|2,0,0]=4 477 B8R1.5 NC1CCOCC1O Z2688974552 [0,1,0,1,0,0|2,0,0]=4 478 B8R1.5 N[C@@H]1CCCC[C@@H]1O Z2235399143 [0,1,0,1,0,0|2,0,0]=4 479 B8R1.5 N[C@@H]1COCC[C@H]1O Z2309916421 [0,1,0,1,0,0|2,0,0]=4 480 B8R1.5 OC1CCCCC1O Z600453486 [0,1,0,1,0,0|1,0,0]=3 481 B8R1.5 OC1CCNCC1F Z1416168950 [0,1,0,1,0,0|1,0,0]=3 482 B8R1.5 OC1NCCCC1F Z3995268169 [0,1,0,1,0,0|2,0,0]=4 483 B8R1.5 O[C@@H]1CCCC[C@H]1O Z2240998867 [0,1,0,1,0,0|1,0,0]=3 484 B8R1.5 O[C@@H]1CNCC[C@H]1F Z2307343627 [0,1,0,1,0,0|1,0,0]=3 485 B8R1.5 O[C@H]1CONC[C@H]1O Z3073361071 [0,1,0,1,0,0|0,0,0]=2 486 B8R1.8 CCCC1NCCS1 Z2144245754 [0,1,0,1,0,0|1,1,0]=4 487 B8R1.8 CCCN1CCCC1 Z4634999686 [0,1,0,1,0,0|2,0,0]=4 488 B8R1.8 CNCC1CCCO1 Z137696198 [0,1,0,1,0,0|2,0,0]=4 489 B8R1.8 COCC1C=CCN1 Z4442497224 [0,1,0,1,0,0|1,0,1]=4 490 B8R1.8 COCC1CCCN1 Z1342208414 [0,1,0,1,0,0|1,0,0]=3 491 B8R1.8 CSCC1CCCN1 Z839514412 [0,1,0,1,0,0|1,1,0]=4 492 B8R1.8 ClCCN1CCCC1 Z104489566 [0,1,0,1,0,0|2,0,0]=4 493 B8R1.8 N#CCC1CCCO1 Z94601183 [0,1,0,1,0,0|2,0,0]=4 494 B8R1.8 NCCC1CCCO1 Z1245635808 [0,1,0,1,0,0|2,0,0]=4 495 B8R1.8 NCCN1CCCC1 Z812516900 [0,1,0,1,0,0|2,0,0]=4 496 B8R1.8 O=CCC1CCCO1 Z1183458964 [0,1,0,1,0,0|1,0,1]=4 497 B8R1.8 OCCC1CCCC1 Z397587408 [0,1,0,1,0,0|2,0,0]=4 498 B8R1.8 OCCC1CCCN1 Z1198148537 [0,1,0,1,0,0|1,0,0]=3 499 B8R1.8 OCCC1CCCO1 Z1183459210 [0,1,0,1,0,0|1,0,0]=3 500 B8R1.8 OCCC1CCNC1 Z1198184196 [0,1,0,1,0,0|2,0,0]=4 501 B8R1.8 OCCC1CCOC1 Z1138844344 [0,1,0,1,0,0|1,0,0]=3 502 B8R1.8 OCCN1CCCC1 Z104477730 [0,1,0,1,0,0|1,0,0]=3 503 B8R1.10 C#CCNC1COC1 Z1142700471 [0,1,0,1,0,0|1,0,1]=4 504 B8R1.10 O=CCCC1CCO1 Z2327124310 [0,1,0,1,0,0|1,0,1]=4 505 B8R1.10 OCCOC1CCC1 Z959313250 [0,1,0,1,0,0|2,0,0]=4 506 B8R1.11 C#C[C@@H]1CNC[C@H]1O Z5293552859 [0,1,0,1,0,0|1,0,0]=3 507 B8R1.11 C=C[C@@H]1CCC[C@H]1O Z3015056914 [0,1,0,1,0,0|2,0,0]=4 508 B8R1.11 C=C[C@H]1CNC[C@H]1O Z5042750192 [0,1,0,1,0,0|1,0,0]=3 509 B8R1.11 CC1CCNC1CO Z1203831515 [0,1,0,1,0,0|1,0,0]=3 510 B8R1.11 CC1NCCC1CO Z1255464335 [0,1,0,1,0,0|2,0,0]=4 511 B8R1.11 CCC1CNCC1O Z1509030677 [0,1,0,1,0,0|1,0,0]=3 512 B8R1.11 CCC1NCCC1C Z1723849174 [0,1,0,1,0,0|2,0,0]=4 513 B8R1.11 CN1CCCC1CN Z326202522 [0,1,0,1,0,0|2,0,0]=4 514 B8R1.11 COC1CCCC1O Z854223428 [0,1,0,1,0,0|1,0,0]=3 515 B8R1.11 CO[C@@H]1CCC[C@@H]1N Z3847443224 [0,1,0,1,0,0|2,0,0]=4 516 B8R1.11 CO[C@@H]1CCC[C@H]1N Z2235777878 [0,1,0,1,0,0|2,0,0]=4 517 B8R1.11 CO[C@@H]1CCC[C@H]1O Z2286637815 [0,1,0,1,0,0|1,0,0]=3 518 B8R1.11 CO[C@@H]1CNC[C@H]1F Z2307368321 [0,1,0,1,0,0|1,0,0]=3 519 B8R1.11 CO[C@@H]1CNC[C@H]1O Z1982426537 [0,1,0,1,0,0|0,0,0]=2 520 B8R1.11 CO[C@H]1CCC[C@@H]1N Z905269870 [0,1,0,1,0,0|2,0,0]=4 521 B8R1.11 CO[C@H]1CCC[C@@H]1O Z1162417007 [0,1,0,1,0,0|1,0,0]=3 522 B8R1.11 C[C@@H]1CNC[C@H]1CO Z1955350046 [0,1,0,1,0,0|1,0,0]=3 523 B8R1.11 N#CC1CCCC1O Z409438998 [0,1,0,1,0,0|2,0,0]=4 524 B8R1.11 NCC1CCCC1O Z409444212 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.11 NC[C@@H]1COC[C@@H]1O Z2828229275 [0,1,0,1,0,0|2,0,0]=4 526 B8R1.11 NN[C@@H]1CCC[C@H]1O Z2350387396 [0,1,0,1,0,0|2,0,0]=4 527 B8R1.11 N[C@@H]1COC[C@@H]1CO Z2568674574 [0,1,0,1,0,0|2,0,0]=4 528 B8R1.11 N[C@H]1CCC[C@H]1CO Z1198220662 [0,1,0,1,0,0|2,0,0]=4 529 B8R1.11 OC[C@@H]1CNC[C@H]1F Z3069557183 [0,1,0,1,0,0|1,0,0]=3 530 B8R1.12 CO[C@@H]1CC[C@H]1CN Z4643457562 [0,1,0,1,0,0|2,0,0]=4 531 B8R1.13 O=C1CCN1CCO Z1897885187 [0,1,0,1,0,0|0,0,1]=3 532 B8R1.22 CC1CCCCNC1 Z1723849152 [0,1,0,1,0,0|2,0,0]=4 533 B8R1.22 CC1CCCNCC1 Z425362298 [0,1,0,1,0,0|2,0,0]=4 534 B8R1.22 CC1CCNCCN1 Z3006266627 [0,1,0,1,0,0|2,0,0]=4 535 B8R1.22 CC1CCNCCO1 Z2855997854 [0,1,0,1,0,0|1,0,0]=3 536 B8R1.22 CC1CCNCCS1 Z1270499064 [0,1,0,1,0,0|1,1,0]=4 537 B8R1.22 CC1CCOCCN1 Z2940715295 [0,1,0,1,0,0|1,0,0]=3 538 B8R1.22 CC1CCSCCN1 Z1839475384 [0,1,0,1,0,0|1,1,0]=4 539 B8R1.22 CC1CNCCCN1 Z1203732447 [0,1,0,1,0,0|2,0,0]=4 540 B8R1.22 CC1CNCCCO1 Z425722880 [0,1,0,1,0,0|1,0,0]=3 541 B8R1.22 CC1CNCCOC1 Z1216819166 [0,1,0,1,0,0|1,0,0]=3 542 B8R1.22 CC1CNCCSC1 Z1270496770 [0,1,0,1,0,0|1,1,0]=4 543 B8R1.22 CC1COCCCN1 Z1216819161 [0,1,0,1,0,0|1,0,0]=3 544 B8R1.22 CC1CSCCCN1 Z2895198847 [0,1,0,1,0,0|1,1,0]=4 545 B8R1.22 CN1CCCNCC1 Z104479254 [0,1,0,1,0,0|2,0,0]=4 546 B8R1.22 FC1CCCNCC1 Z1255416656 [0,1,0,1,0,0|2,0,0]=4 547 B8R1.22 FC1CNCCOC1 Z4924614783 [0,1,0,1,0,0|1,0,0]=3 548 B8R1.22 NC1COCCOC1 Z1463350443 [0,1,0,1,0,0|2,0,0]=4 549 B8R1.22 O=C1CCNCCN1 Z119989554 [0,1,0,1,0,0|1,0,1]=4 550 B8R1.22 O=C1CCOCCN1 Z821098578 [0,1,0,1,0,0|1,0,1]=4 551 B8R1.22 O=C1COCCCN1 Z1203733065 [0,1,0,1,0,0|1,0,1]=4 552 B8R1.22 OC1CCCNCC1 Z1198309797 [0,1,0,1,0,0|1,0,0]=3 553 B8R1.22 OC1CNCCOC1 Z2234631219 [0,1,0,1,0,0|0,0,0]=2 554 B8R1.36 BrCCOCC1CO1 Z3038215664 [0,1,0,1,0,0|2,0,0]=4 555 B8R1.36 C#CCCNC1CC1 Z3083059727 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.36 CCCCNC1CC1 Z361993970 [0,1,0,1,0,0|2,0,0]=4 557 B8R1.36 CCOCCC1CO1 Z1495386137 [0,1,0,1,0,0|2,0,0]=4 558 B8R1.36 COCCNC1CC1 Z1708090045 [0,1,0,1,0,0|1,0,0]=3 559 B8R1.36 N#CCCNC1CC1 Z53117499 [0,1,0,1,0,0|2,0,0]=4 560 B8R1.36 NCCNCC1CC1 Z2941505334 [0,1,0,1,0,0|2,0,0]=4 561 B8R1.36 OCCCNC1CC1 Z138414456 [0,1,0,1,0,0|1,0,0]=3 562 B8R1.36 OCCNCC1CC1 Z335251956 [0,1,0,1,0,0|1,0,0]=3 563 B8R1.36 OCCOCC1CC1 Z854231442 [0,1,0,1,0,0|2,0,0]=4 564 B8R1.36 OCCOCC1CO1 Z332379868 [0,1,0,1,0,0|1,0,0]=3 565 B8R1.49 C1CCCNCCC1 Z104480232 [0,1,0,1,0,0|2,0,0]=4 566 B8R1.1 CC1CCC(O1)CN Z1438307598 [0,1,0,1,0,0|2,0,0]=4 567 B8R1.1 CCC1CC(CN1)C Z1203749385 [0,1,0,1,0,0|2,0,0]=4 568 B8R1.1 CCC1CCC(N1)C Z1582263727 [0,1,0,1,0,0|2,0,0]=4 569 B8R1.1 O=C1CCC(N1)CO Z235344363 [0,1,0,1,0,0|1,0,1]=4 570 B8R1.1 O=C1CC[C@H](N1)CO Z235344345 [0,1,0,1,0,0|1,0,1]=4 571 B8R1.1 OCC1CC(CN1)F Z1753033006 [0,1,0,1,0,0|1,0,0]=3 572 B8R1.3 CC1CCC(CC1)O Z104476106 [0,1,0,1,0,0|2,0,0]=4 573 B8R1.3 CC1CCC(CN1)N Z3544167688 [0,1,0,1,0,0|2,0,0]=4 574 B8R1.3 CC1CCC(CN1)O Z2350906968 [0,1,0,1,0,0|1,0,0]=3 575 B8R1.3 CC1CCC(CO1)O Z1898581838 [0,1,0,1,0,0|2,0,0]=4 576 B8R1.3 CC1CNC(CN1)C Z1255523274 [0,1,0,1,0,0|2,0,0]=4 577 B8R1.3 CC1COC(CN1)C Z327218388 [0,1,0,1,0,0|1,0,0]=3 578 B8R1.3 C[C@@H]1CC[C@@H](CN1)O Z2309899176 [0,1,0,1,0,0|1,0,0]=3 579 B8R1.3 C[C@@H]1CC[C@H](CN1)O Z2327179252 [0,1,0,1,0,0|1,0,0]=3 580 B8R1.3 OC1CCC(CC1)O Z1178486717 [0,1,0,1,0,0|2,0,0]=4 581 B8R1.38 CC(CO)C1CCC1 Z1717769985 [0,1,0,1,0,0|2,0,0]=4 582 B8R1.40 NC(CO)CC1CC1 Z1198179456 [0,1,0,1,0,0|2,0,0]=4 583 B8R1.40 O=C(CO)NC1CC1 Z431952008 [0,1,0,1,0,0|1,0,1]=4 584 B8R1.50 CC1CNC(C1C)C Z1203749866 [0,1,0,1,0,0|2,0,0]=4 585 B8R1.50 N[C@H]1C(=O)NC[C@@H]1O Z5183356392 [0,1,0,1,0,0|1,0,1]=4 586 B8R1.52 CC1(C=CCN1)CO Z4590431805 [0,1,0,1,0,0|1,0,1]=4 587 B8R1.52 CC1(CCCC1)CO Z1255466752 [0,1,0,1,0,0|2,0,0]=4 588 B8R1.52 CC1(CCCO1)CN Z1198218662 [0,1,0,1,0,0|2,0,0]=4 589 B8R1.52 CC1(CCCO1)CO Z1389059207 [0,1,0,1,0,0|1,0,0]=3 590 B8R1.52 CC1(OCCO1)CN Z1198278649 [0,1,0,1,0,0|2,0,0]=4 591 B8R1.52 NC1(CCCC1)CO Z734150968 [0,1,0,1,0,0|2,0,0]=4 592 B8R1.52 OCC1(CCCC1)O Z1258947137 [0,1,0,1,0,0|2,0,0]=4 593 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [0,1,0,1,0,0|2,0,0]=4 594 B8R1.4 CC1CN(CCN1)C Z1162470821 [0,1,0,1,0,0|2,0,0]=4 595 B8R1.4 CC1CNCC(C1)C Z104474332 [0,1,0,1,0,0|2,0,0]=4 596 B8R1.4 CC1CNCC(C1)O Z2255082098 [0,1,0,1,0,0|1,0,0]=3 597 B8R1.4 CC1CNCC(N1)C Z916970166 [0,1,0,1,0,0|2,0,0]=4 598 B8R1.4 CC1CNCC(O1)C Z104472602 [0,1,0,1,0,0|1,0,0]=3 599 B8R1.4 CC1CNCC(S1)C Z855784294 [0,1,0,1,0,0|1,1,0]=4 600 B8R1.4 CN1CC(CCO1)O Z5948414894 [0,1,0,1,0,0|2,0,0]=4 601 B8R1.4 CN1CCCC(C1)N Z600584196 [0,1,0,1,0,0|2,0,0]=4 602 B8R1.4 C[C@@H]1CN(CCN1)C Z3379438692 [0,1,0,1,0,0|2,0,0]=4 603 B8R1.4 C[C@@H]1CNC[C@@H](C1)C Z2944520936 [0,1,0,1,0,0|2,0,0]=4 604 B8R1.4 C[C@@H]1CNC[C@@H](C1)O Z2301535259 [0,1,0,1,0,0|1,0,0]=3 605 B8R1.4 C[C@@H]1CNC[C@H](C1)O Z4073561603 [0,1,0,1,0,0|1,0,0]=3 606 B8R1.4 C[C@@H]1C[C@H](CCO1)N Z4121905902 [0,1,0,1,0,0|2,0,0]=4 607 B8R1.4 C[C@H]1CNC[C@H](N1)C Z1203730758 [0,1,0,1,0,0|2,0,0]=4 608 B8R1.4 C[C@H]1CNC[C@H](O1)C Z1203730781 [0,1,0,1,0,0|1,0,0]=3 609 B8R1.4 F[C@@H]1CNC[C@@H](C1)F Z4085231057 [0,1,0,1,0,0|2,0,0]=4 610 B8R1.4 NC1CCCC(C1)O Z2724335128 [0,1,0,1,0,0|2,0,0]=4 611 B8R1.4 NC1CNCC(C1)O Z4465943159 [0,1,0,1,0,0|1,0,0]=3 612 B8R1.4 N[C@@H]1CNC[C@@H](C1)N Z3175310488 [0,1,0,1,0,0|2,0,0]=4 613 B8R1.4 N[C@H]1CCC[C@H](C1)O Z1203578804 [0,1,0,1,0,0|2,0,0]=4 614 B8R1.4 O[C@@H]1CNC[C@@H](C1)F Z2525157521 [0,1,0,1,0,0|1,0,0]=3 615 B8R1.4 O[C@@H]1CNC[C@@H](C1)O Z1310777672 [0,1,0,1,0,0|0,0,0]=2 616 B8R1.6 NCCC1CC(C1)O Z1868316842 [0,1,0,1,0,0|2,0,0]=4 617 B8R1.6 NCC[C@H]1C[C@H](C1)O Z2310717957 [0,1,0,1,0,0|2,0,0]=4 618 B8R1.7 CC(N)C1CCCN1 Z742893600 [0,1,0,1,0,0|2,0,0]=4 619 B8R1.7 CC(N)C1CCCO1 Z318730550 [0,1,0,1,0,0|2,0,0]=4 620 B8R1.7 CC(O)[C@@H]1CCCN1 Z1203825201 [0,1,0,1,0,0|1,0,0]=3 621 B8R1.7 FC(F)[C@@H]1CCCN1 Z1692482620 [0,1,0,1,0,0|2,0,0]=4 622 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,1,0,1,0,0|1,0,1]=4 623 B8R1.7 O=C(O)C1CCCO1 Z104486102 [0,1,0,1,0,0|1,0,1]=4 624 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [0,1,0,1,0,0|0,1,1]=4 625 B8R1.7 O=C(O)C1OCCO1 Z1198167310 [0,1,0,1,0,0|1,0,1]=4 626 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,1,0,1,0,0|1,0,1]=4 627 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,1,0,1,0,0|1,0,1]=4 628 B8R1.19 CC1(CNCC1O)C Z1925930473 [0,1,0,1,0,0|1,0,0]=3 629 B8R1.19 C[C@]1(CCC[C@H]1O)O Z3037315217 [0,1,0,1,0,0|1,0,0]=3 630 B8R1.19 OC1CNCC1(F)F Z1939448571 [0,1,0,1,0,0|1,0,0]=3 631 B8R1.34 O=C(O)CN1CCC1 Z1255373566 [0,1,0,1,0,0|1,0,1]=4 632 B8R1.35 CC(C)CCC1CO1 Z1495386123 [0,1,0,1,0,0|2,0,0]=4 633 B8R1.35 CC(C)CNC1CC1 Z324553132 [0,1,0,1,0,0|2,0,0]=4 634 B8R1.35 FC(F)CNC1CC1 Z1266823253 [0,1,0,1,0,0|2,0,0]=4 635 B8R1.35 O=C(O)CNC1CC1 Z432066928 [0,1,0,1,0,0|1,0,1]=4 636 B8R1.72 CC1(CCCCC1)O Z449370586 [0,1,0,1,0,0|2,0,0]=4 637 B8R1.72 CC1(CCCNC1)C Z1182379631 [0,1,0,1,0,0|2,0,0]=4 638 B8R1.72 CC1(CNCCO1)C Z374049350 [0,1,0,1,0,0|1,0,0]=3 639 B8R1.72 CC1(CNCCS1)C Z1203749178 [0,1,0,1,0,0|1,1,0]=4 640 B8R1.72 FC1(CCCNC1)F Z1203161889 [0,1,0,1,0,0|2,0,0]=4 641 B8R1.18 NC1C[C@@H]([C@@H](C1)O)O Z2830494512 [0,1,0,1,0,0|1,0,0]=3 642 B8R1.18 N[C@@H]1C[C@@H](C[C@H]1O)O Z3576076783 [0,1,0,1,0,0|2,0,0]=4 643 B8R1.18 N[C@H]1C[C@@H]([C@@H](C1)O)O Z1262685736 [0,1,0,1,0,0|1,0,0]=3 644 B8R1.37 NC(CCO)C1CC1 Z1255523331 [0,1,0,1,0,0|2,0,0]=4 645 B8R1.66 NC1(CCC1)CCO Z1335657821 [0,1,0,1,0,0|2,0,0]=4 646 B8R2.22 C1CC2CNC2C1 Z372839324 [0,0,0,2,0,0|2,0,0]=4 647 B8R2.22 C1C[C@@H]2CC[C@@H]2N1 Z2568680274 [0,0,0,2,0,0|2,0,0]=4 648 B8R2.22 C1C[C@@H]2[C@H]1CNC2 Z2310727771 [0,0,0,2,0,0|2,0,0]=4 649 B8R2.34 C1CC2CC1CN2 Z744843462 [0,0,0,2,0,0|2,0,0]=4 650 B8R2.34 C1CC2CCC1N2 Z235340117 [0,0,0,2,0,0|2,0,0]=4 651 B8R2.34 C1NC2CNC1C2 Z2466331627 [0,0,0,2,0,0|2,0,0]=4 652 B8R2.34 C1O[C@@H]2CN[C@H]1C2 Z1198157093 [0,0,0,2,0,0|1,0,0]=3 653 B8R2.55 C1CCC2(C1)CO2 Z1020680028 [0,0,0,2,0,0|2,0,0]=4 654 B8R2.55 C1CNC2(C1)CC2 Z3243649141 [0,0,0,2,0,0|2,0,0]=4 655 B8R2.2 C[C@@]12CNC[C@@H]1C2 Z2961068041 [0,0,0,2,0,0|2,0,0]=4 656 B8R2.2 C[C@]12CCC[C@H]1O2 Z4597543898 [0,0,0,2,0,0|2,0,0]=4 657 B8R2.25 C1CC2CC2CN1 Z2568751757 [0,0,0,2,0,0|2,0,0]=4 658 B8R2.25 C1CC2OC2CO1 Z440605384 [0,0,0,2,0,0|2,0,0]=4 659 B8R2.25 C1CCC2OC2C1 Z239871664 [0,0,0,2,0,0|2,0,0]=4 660 B8R2.25 C1CNC2CC2C1 Z2429425564 [0,0,0,2,0,0|2,0,0]=4 661 B8R2.25 C1COC2CC2N1 Z2238336531 [0,0,0,2,0,0|1,0,0]=3 662 B8R2.1 C1CC(C1)C2CO2 Z1407119362 [0,0,0,2,0,0|2,0,0]=4 663 B8R2.24 C1CC1C[C@@H]2CO2 Z3271410540 [0,0,0,2,0,0|2,0,0]=4