0 B6R0.6 C#CCNCCC Z815264308 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 C=C/C=C/CCN Z2786180930 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.6 C=CCNCCO Z137800938 [0,0,0,0,0,0|1,0,3]=4 3 B6R0.6 CCC#CCCN Z1203585246 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.6 CCCCCCO Z104473568 [0,0,0,0,0,0|0,0,2]=2 5 B6R0.6 CCCNCC#N Z235653524 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.6 CCCOCCN Z4449042604 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.6 CCNCCCF Z1203824341 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.6 CCNCCCO Z138139914 [0,0,0,0,0,0|1,0,1]=2 9 B6R0.6 CCNCCSC Z2412193591 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.6 CCOCCCO Z1080358490 [0,0,0,0,0,0|1,0,1]=2 11 B6R0.6 CNCCCCN Z2939606540 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.6 CNCCCCO Z839096662 [0,0,0,0,0,0|1,0,2]=3 13 B6R0.6 COCCCCO Z431605254 [0,0,0,0,0,0|1,0,2]=3 14 B6R0.6 CONCCCN Z2492414217 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.6 ClCCNCCCl Z57388616 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.6 FCCNCCF Z4880681336 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.6 N#CCCCCO Z431952150 [0,0,0,0,0,0|1,0,3]=4 18 B6R0.6 NCC#CCCO Z1203639371 [0,0,0,0,0,0|1,0,2]=3 19 B6R0.6 NCCC#CCO Z4947584692 [0,0,0,0,0,0|1,0,3]=4 20 B6R0.6 NCCCCCF Z3524160733 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.6 NCCCCCN Z951173830 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.6 NCCNCCN Z104475186 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.6 OCCNCCO Z104475196 [0,0,0,0,0,0|2,0,1]=3 24 B5R0.2 C#CCNCC Z815264056 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.2 C/C=C/CCN Z1268152372 [1,0,0,0,0,0|1,0,0]=2 26 B5R0.2 C/C=C/OCC Z281777810 [1,0,0,0,0,0|1,0,1]=3 27 B5R0.2 C=C/C=C/CN Z3270208113 [1,0,0,0,0,0|1,0,2]=4 28 B5R0.2 C=CCCCN Z993058434 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.2 C=CCNCC Z2044769224 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.2 CC#CCCO Z1033337288 [1,0,0,0,0,0|0,0,2]=3 31 B5R0.2 CCC#CCN Z4935566672 [1,0,0,0,0,0|1,0,2]=4 32 B5R0.2 CCCCC=O Z104472992 [1,0,0,0,0,0|0,0,3]=4 33 B5R0.2 CCCCCN Z104472246 [1,0,0,0,0,0|1,0,1]=3 34 B5R0.2 CCCNCC Z138446288 [1,0,0,0,0,0|1,0,1]=3 35 B5R0.2 CCNCC#N Z235583784 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.2 CCNCCF Z1198305484 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.2 CCNCCO Z1258992395 [1,0,0,0,0,0|1,0,0]=2 38 B5R0.2 CCNOCC Z223690220 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.2 CCOCC#N Z295205412 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.2 CCOCCN Z271005962 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.2 CCOCCO Z104473122 [1,0,0,0,0,0|1,0,0]=2 42 B5R0.2 CCSCCN Z3061111063 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.2 CNCCCO Z104756980 [1,0,0,0,0,0|1,0,1]=3 44 B5R0.2 COCCCO Z431517702 [1,0,0,0,0,0|1,0,1]=3 45 B5R0.2 N#CCCCO Z385458622 [1,0,0,0,0,0|1,0,2]=4 46 B5R0.2 NC/C=C/CN Z2235386837 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.2 NCCCCF Z2177031126 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.2 NCCCCN Z104472592 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.2 OC/C=C/CO Z237581088 [1,0,0,0,0,0|1,0,0]=2 50 B7R0.1 CC#CCCCCO Z1233226212 [0,1,0,0,0,0|0,0,3]=4 51 B7R0.1 CCCCCCCO Z104473596 [0,1,0,0,0,0|0,0,2]=3 52 B7R0.1 CCCCCCNC Z5419328797 [0,1,0,0,0,0|1,0,2]=4 53 B7R0.1 CCCCOCCN Z409191398 [0,1,0,0,0,0|1,0,2]=4 54 B7R0.1 CCCOCCCO Z1080358966 [0,1,0,0,0,0|0,0,2]=3 55 B7R0.1 CCNCCOCC Z138138014 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.1 CCOCCCC#N Z295205414 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.1 CCOCCCCO Z993012560 [0,1,0,0,0,0|0,0,2]=3 58 B7R0.1 CCSCCCC#N Z332378682 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.1 CNCCCCCN Z4097840720 [0,1,0,0,0,0|1,0,2]=4 60 B7R0.1 CNCCCCOC Z875082126 [0,1,0,0,0,0|1,0,2]=4 61 B7R0.1 COCCCCCN Z608347192 [0,1,0,0,0,0|1,0,2]=4 62 B7R0.1 COCCCCCO Z993012416 [0,1,0,0,0,0|0,0,2]=3 63 B7R0.1 COCCNCCF Z2512872814 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.1 COCCNCCN Z2940670642 [0,1,0,0,0,0|2,0,1]=4 65 B7R0.1 COCCNCCO Z266088374 [0,1,0,0,0,0|1,0,1]=3 66 B7R0.1 COCCOCCN Z285178622 [0,1,0,0,0,0|2,0,1]=4 67 B7R0.1 COCCOCCO Z849748688 [0,1,0,0,0,0|1,0,1]=3 68 B7R0.1 CSCCCCCN Z823285026 [0,1,0,0,0,0|1,0,2]=4 69 B7R0.1 CSCCCCCO Z968557058 [0,1,0,0,0,0|0,0,2]=3 70 B7R0.1 ClCCCNCCCl Z2242062238 [0,1,0,0,0,0|2,0,1]=4 71 B7R0.1 N#CCCNCCO Z53116581 [0,1,0,0,0,0|1,0,2]=4 72 B7R0.1 NCCCCCCN Z104473514 [0,1,0,0,0,0|1,0,2]=4 73 B7R0.1 NCCOCCCO Z2044949087 [0,1,0,0,0,0|1,0,1]=3 74 B7R0.1 NCCSCCCO Z406685362 [0,1,0,0,0,0|1,0,1]=3 75 B7R0.1 OCCCCCCBr Z1255398867 [0,1,0,0,0,0|0,0,2]=3 76 B7R0.1 OCCCCCCO Z104473540 [0,1,0,0,0,0|0,0,2]=3 77 B7R0.1 OCCCNCCO Z104654390 [0,1,0,0,0,0|1,0,1]=3 78 B7R0.1 OCCCOCCO Z1373668758 [0,1,0,0,0,0|1,0,1]=3 79 B7R0.1 OCCCSCCO Z149155194 [0,1,0,0,0,0|1,0,1]=3 80 B7R0.1 OCCSSCCO Z1255415413 [0,1,0,0,0,0|2,0,0]=3 81 B7R0.3 C#CCNC(=O)CC Z220957516 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.3 C/C=C/CC(N)CO Z1718361642 [0,1,0,0,0,0|0,0,2]=3 83 B7R0.3 CC(CN)CCCO Z2234185702 [0,1,0,0,0,0|1,0,2]=4 84 B7R0.3 CC/C=C/C(=O)NC Z404206580 [0,1,0,0,0,0|2,0,1]=4 85 B7R0.3 CCC(=O)NCCN Z1455674775 [0,1,0,0,0,0|2,0,0]=3 86 B7R0.3 CCC(C)NCCO Z335251014 [0,1,0,0,0,0|1,0,1]=3 87 B7R0.3 CCC(O)CCCN Z1259162031 [0,1,0,0,0,0|1,0,2]=4 88 B7R0.3 CCCCC(=O)CC Z406378226 [0,1,0,0,0,0|1,0,1]=3 89 B7R0.3 CCCCC(N)CC Z3303777618 [0,1,0,0,0,0|1,0,2]=4 90 B7R0.3 CCCCC(N)CN Z756921038 [0,1,0,0,0,0|1,0,2]=4 91 B7R0.3 CCCNC(=O)CC Z33030426 [0,1,0,0,0,0|2,0,0]=3 92 B7R0.3 CCNCC(C)CC Z335456758 [0,1,0,0,0,0|2,0,1]=4 93 B7R0.3 CCNCC(O)CC Z600449680 [0,1,0,0,0,0|2,0,1]=4 94 B7R0.3 CCOCC(O)CN Z271097110 [0,1,0,0,0,0|2,0,1]=4 95 B7R0.3 CCOCC(O)CO Z1178483452 [0,1,0,0,0,0|1,0,1]=3 96 B7R0.3 CNC(=O)CCCN Z451350656 [0,1,0,0,0,0|2,0,1]=4 97 B7R0.3 CNC(=O)NCCO Z177090556 [0,1,0,0,0,0|2,0,0]=3 98 B7R0.3 CNC(=O)OCCO Z1198150357 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.3 COC(=O)NCCN Z2237317343 [0,1,0,0,0,0|3,0,0]=4 100 B7R0.3 NCC(=O)NCCO Z401366912 [0,1,0,0,0,0|2,0,0]=3 101 B7R0.3 O=C(CO)NCCO Z1203732626 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.4 C/C=C/C=C/C(=O)O Z57127888 [0,1,0,0,0,0|0,0,3]=4 103 B7R0.4 CC(=O)NCCCO Z353570744 [0,1,0,0,0,0|1,0,2]=4 104 B7R0.4 CC(C)C/C=C/CO Z1813145997 [0,1,0,0,0,0|0,0,2]=3 105 B7R0.4 CC(C)CCCCN Z1250132304 [0,1,0,0,0,0|1,0,2]=4 106 B7R0.4 CC(C)CNCCO Z3269089575 [0,1,0,0,0,0|1,0,1]=3 107 B7R0.4 CC(C)COCCN Z594038266 [0,1,0,0,0,0|2,0,1]=4 108 B7R0.4 CC(C)CSCCN Z1520645037 [0,1,0,0,0,0|2,0,1]=4 109 B7R0.4 CC(C)NCCCO Z56799938 [0,1,0,0,0,0|1,0,1]=3 110 B7R0.4 CC(C)OCCCN Z2677507870 [0,1,0,0,0,0|2,0,1]=4 111 B7R0.4 CC(C)OCCCO Z1080358780 [0,1,0,0,0,0|1,0,1]=3 112 B7R0.4 CC(N)CCCCN Z2186882580 [0,1,0,0,0,0|1,0,2]=4 113 B7R0.4 CC(N)CCCCO Z2234185667 [0,1,0,0,0,0|0,0,2]=3 114 B7R0.4 CCC/C=C/C(=O)O Z104506794 [0,1,0,0,0,0|0,0,3]=4 115 B7R0.4 CCCCCC(=O)O Z104503532 [0,1,0,0,0,0|0,0,3]=4 116 B7R0.4 CCCCCC(C)N Z104495176 [0,1,0,0,0,0|1,0,2]=4 117 B7R0.4 CCCNCC(=O)O Z744582718 [0,1,0,0,0,0|1,0,2]=4 118 B7R0.4 CCCNCC(C)C Z90518190 [0,1,0,0,0,0|2,0,1]=4 119 B7R0.4 CCCNCC(F)F Z1262250827 [0,1,0,0,0,0|2,0,1]=4 120 B7R0.4 CCCOCC(=O)O Z406677750 [0,1,0,0,0,0|1,0,2]=4 121 B7R0.4 CCCSCC(=O)O Z228425458 [0,1,0,0,0,0|1,0,2]=4 122 B7R0.4 CCNCCC(=O)O Z1869802098 [0,1,0,0,0,0|1,0,2]=4 123 B7R0.4 CCOCCC(=O)O Z316258938 [0,1,0,0,0,0|1,0,2]=4 124 B7R0.4 CCSCCC(=O)O Z197206046 [0,1,0,0,0,0|1,0,2]=4 125 B7R0.4 COCCCC(C)O Z854048762 [0,1,0,0,0,0|1,0,2]=4 126 B7R0.4 OCCNCC(F)F Z608352548 [0,1,0,0,0,0|2,0,1]=4 127 B7R0.4 OCCOCC(F)F Z1251415632 [0,1,0,0,0,0|2,0,1]=4 128 B7R0.7 C/C=C/C(=O)OCC Z2327209524 [0,1,0,0,0,0|2,0,1]=4 129 B7R0.7 CCCC(C)CCN Z2768767726 [0,1,0,0,0,0|1,0,2]=4 130 B7R0.7 CCCC(O)CCO Z1198158209 [0,1,0,0,0,0|0,0,2]=3 131 B7R0.7 CCNC(=O)CCCl Z239813542 [0,1,0,0,0,0|2,0,0]=3 132 B7R0.7 CCNC(=O)CCN Z1449756826 [0,1,0,0,0,0|2,0,0]=3 133 B7R0.7 CCNC(=O)CCO Z975909368 [0,1,0,0,0,0|1,0,0]=2 134 B7R0.7 CCNC(=O)CNC Z594038090 [0,1,0,0,0,0|3,0,0]=4 135 B7R0.7 CCOC(=N)CSC Z4498865780 [0,1,0,0,0,0|3,0,0]=4 136 B7R0.7 CCOC(=O)CC#N Z104473162 [0,1,0,0,0,0|2,0,1]=4 137 B7R0.7 CCOC(=O)CNC Z1262237263 [0,1,0,0,0,0|3,0,0]=4 138 B7R0.7 CCOC(=O)OCC Z104482516 [0,1,0,0,0,0|3,0,0]=4 139 B7R0.7 COCC(N)CCO Z1238548168 [0,1,0,0,0,0|1,0,2]=4 140 B7R1.1 BrCC1CCCO1 Z90660999 [0,0,0,1,0,0|1,0,2]=4 141 B7R1.1 CCC1=CC=CO1 Z640169748 [0,0,0,1,0,0|0,0,2]=3 142 B7R1.1 CCC1=CNC=N1 Z1203731354 [0,0,0,1,0,0|2,0,1]=4 143 B7R1.1 CCC1=CNN=C1 Z1139192482 [0,0,0,1,0,0|3,0,0]=4 144 B7R1.1 CCC1=NNC=C1 Z1238571110 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.1 CCC1CCCN1 Z281773802 [0,0,0,1,0,0|1,0,2]=4 146 B7R1.1 CCC1CCNC1 Z1407004100 [0,0,0,1,0,0|2,0,1]=4 147 B7R1.1 CNC1=NCCN1 Z3072981652 [0,0,0,1,0,0|3,0,0]=4 148 B7R1.1 CNC1=NCCS1 Z744843656 [0,0,0,1,0,0|2,1,0]=4 149 B7R1.1 COC1=NCCC1 Z147641734 [0,0,0,1,0,0|2,0,1]=4 150 B7R1.1 CSC1=NCCN1 Z56790627 [0,0,0,1,0,0|3,0,0]=4 151 B7R1.1 ClCC1CCCO1 Z56893271 [0,0,0,1,0,0|1,0,2]=4 152 B7R1.1 FCC1CCCN1 Z2216711551 [0,0,0,1,0,0|2,0,1]=4 153 B7R1.1 NCC1=CC=NO1 Z1964347782 [0,0,0,1,0,0|2,0,1]=4 154 B7R1.1 NCC1=NCCN1 Z2714784585 [0,0,0,1,0,0|3,0,0]=4 155 B7R1.1 NCC1C=CCC1 Z2768196818 [0,0,0,1,0,0|1,0,0]=2 156 B7R1.1 NCC1CC=CC1 Z2310699469 [0,0,0,1,0,0|1,0,2]=4 157 B7R1.1 NCC1CCCC1 Z367452206 [0,0,0,1,0,0|1,0,2]=4 158 B7R1.1 NCC1CCCS1 Z1201677924 [0,0,0,1,0,0|2,0,1]=4 159 B7R1.1 NC[C@@H]1CCCN1 Z3235020468 [0,0,0,1,0,0|2,0,1]=4 160 B7R1.1 NC[C@H]1CCCN1 Z1483956794 [0,0,0,1,0,0|2,0,1]=4 161 B7R1.1 O=CC1=CCCC1 Z1190318866 [0,0,0,1,0,0|2,0,1]=4 162 B7R1.1 OCC1=CC=CO1 Z104472794 [0,0,0,1,0,0|1,0,2]=4 163 B7R1.1 OCC1=CC=CS1 Z104478586 [0,0,0,1,0,0|1,0,2]=4 164 B7R1.1 OCC1=COC=C1 Z397587426 [0,0,0,1,0,0|1,0,2]=4 165 B7R1.1 OCC1=NOC=C1 Z875021162 [0,0,0,1,0,0|2,0,1]=4 166 B7R1.1 OCC1CC=CC1 Z1201622687 [0,0,0,1,0,0|0,0,2]=3 167 B7R1.1 OCC1CCCC1 Z397587414 [0,0,0,1,0,0|0,0,2]=3 168 B7R1.1 OCC1CCCN1 Z825308062 [0,0,0,1,0,0|1,0,1]=3 169 B7R1.1 OCC1CCCS1 Z1201679857 [0,0,0,1,0,0|1,0,1]=3 170 B7R1.1 OCC1CCNC1 Z976722188 [0,0,0,1,0,0|1,0,1]=3 171 B7R1.1 OCC1CCOC1 Z335245192 [0,0,0,1,0,0|1,0,1]=3 172 B7R1.1 OCC1CCSC1 Z1201679855 [0,0,0,1,0,0|1,0,1]=3 173 B7R1.1 OCN1C=CC=N1 Z1198155714 [0,0,0,1,0,0|2,0,1]=4 174 B7R1.1 OC[C@@H]1CCCN1 Z1123715411 [0,0,0,1,0,0|1,0,1]=3 175 B7R1.3 CC1CNCCN1 Z104480242 [0,0,0,1,0,0|2,0,1]=4 176 B7R1.3 CC1CNCCO1 Z204013884 [0,0,0,1,0,0|1,0,1]=3 177 B7R1.3 CC1CNCCS1 Z334686272 [0,0,0,1,0,0|1,1,1]=4 178 B7R1.3 CC1COCCN1 Z336087928 [0,0,0,1,0,0|2,0,1]=4 179 B7R1.3 CC1CSCCN1 Z334686282 [0,0,0,1,0,0|2,0,1]=4 180 B7R1.3 C[C@H]1CCCNC1 Z1895741201 [0,0,0,1,0,0|2,0,1]=4 181 B7R1.3 C[C@H]1CNCCN1 Z1187834254 [0,0,0,1,0,0|2,0,1]=4 182 B7R1.3 FC1CCNCC1 Z1741960061 [0,0,0,1,0,0|2,0,1]=4 183 B7R1.3 NC1C=CCCC1 Z1203579654 [0,0,0,1,0,0|2,0,0]=3 184 B7R1.3 NC1CCCCC1 Z1945707495 [0,0,0,1,0,0|1,0,2]=4 185 B7R1.3 NC1CCCOC1 Z1013492300 [0,0,0,1,0,0|2,0,1]=4 186 B7R1.3 NC1CCCSC1 Z1029463244 [0,0,0,1,0,0|2,0,1]=4 187 B7R1.3 NC1CCOCC1 Z600428352 [0,0,0,1,0,0|2,0,1]=4 188 B7R1.3 NC1CCSCC1 Z992716928 [0,0,0,1,0,0|2,0,1]=4 189 B7R1.3 O=C1C=CCCC1 Z295197140 [0,0,0,1,0,0|2,0,1]=4 190 B7R1.3 O=C1C=CCCO1 Z1255402681 [0,0,0,1,0,0|1,0,1]=3 191 B7R1.3 OC1CCCCC1 Z104473498 [0,0,0,1,0,0|0,0,2]=3 192 B7R1.3 OC1CCCSC1 Z993818972 [0,0,0,1,0,0|1,0,1]=3 193 B7R1.3 OC1CCNCC1 Z56347197 [0,0,0,1,0,0|1,0,1]=3 194 B7R1.3 OC1CCOCC1 Z1359429523 [0,0,0,1,0,0|1,0,1]=3 195 B7R1.3 OC1CCONC1 Z3325124334 [0,0,0,1,0,0|2,0,0]=3 196 B7R1.3 OC1CNCCO1 Z1428160315 [0,0,0,1,0,0|2,0,1]=4 197 B7R1.3 OC1COCOC1 Z431564488 [0,0,0,1,0,0|2,0,1]=4 198 B7R1.4 CC1CCCC1N Z1219738990 [0,0,0,1,0,0|1,0,2]=4 199 B7R1.4 CC1CCNC1C Z1335657674 [0,0,0,1,0,0|2,0,1]=4 200 B7R1.4 CC1CNCC1C Z1281657986 [0,0,0,1,0,0|2,0,1]=4 201 B7R1.4 CC1SCCC1N Z2408712737 [0,0,0,1,0,0|2,0,1]=4 202 B7R1.4 C[C@@H]1CCC[C@@H]1N Z2309845262 [0,0,0,1,0,0|1,0,2]=4 203 B7R1.4 C[C@@H]1CCC[C@H]1N Z2568757690 [0,0,0,1,0,0|1,0,2]=4 204 B7R1.4 C[C@@H]1CNC[C@@H]1O Z2309845194 [0,0,0,1,0,0|1,0,1]=3 205 B7R1.4 C[C@@H]1NCC[C@H]1O Z2235678880 [0,0,0,1,0,0|1,0,1]=3 206 B7R1.4 C[C@H]1OCC[C@H]1N Z2186882122 [0,0,0,1,0,0|2,0,1]=4 207 B7R1.4 N[C@@H]1CCC[C@@H]1O Z2306841441 [0,0,0,1,0,0|1,0,2]=4 208 B7R1.4 N[C@@H]1CCC[C@H]1O Z2256393934 [0,0,0,1,0,0|1,0,2]=4 209 B7R1.4 N[C@@H]1CSC[C@@H]1O Z3068057819 [0,0,0,1,0,0|2,0,1]=4 210 B7R1.4 N[C@H]1CCC[C@@H]1O Z1197994837 [0,0,0,1,0,0|1,0,2]=4 211 B7R1.4 OC1CCCC1O Z600452564 [0,0,0,1,0,0|1,0,2]=4 212 B7R1.4 OC1CNCC1O Z1147229592 [0,0,0,1,0,0|2,0,1]=4 213 B7R1.4 O[C@@H]1CNC[C@H]1F Z2307368320 [0,0,0,1,0,0|2,0,1]=4 214 B7R1.4 O[C@@H]1CNC[C@H]1O Z2309778206 [0,0,0,1,0,0|2,0,1]=4 215 B7R1.4 O[C@H]1CNC[C@H]1O Z1318268689 [0,0,0,1,0,0|2,0,1]=4 216 B7R1.5 CC1CC1CCN Z4888675966 [0,0,0,1,0,0|1,0,2]=4 217 B7R1.5 CCC[C@@H]1C[C@H]1N Z2298098035 [0,0,0,1,0,0|1,0,2]=4 218 B7R1.6 CCNC1CCC1 Z2144245483 [0,0,0,1,0,0|2,0,1]=4 219 B7R1.6 NCCC1CCC1 Z1405445718 [0,0,0,1,0,0|1,0,2]=4 220 B7R1.6 NCCN1CCC1 Z1203582961 [0,0,0,1,0,0|2,0,1]=4 221 B7R1.7 CCCCC1CO1 Z1020679810 [0,0,0,1,0,0|0,0,2]=3 222 B7R1.7 CCNCC1CC1 Z1692483163 [0,0,0,1,0,0|2,0,1]=4 223 B7R1.7 CCOCC1CO1 Z271128258 [0,0,0,1,0,0|1,0,1]=3 224 B7R1.7 COCCC1CO1 Z1495386141 [0,0,0,1,0,0|1,0,2]=4 225 B7R1.7 FCCNC1CC1 Z5629279666 [0,0,0,1,0,0|2,0,1]=4 226 B7R1.7 NCCCC1CC1 Z2465611603 [0,0,0,1,0,0|1,0,2]=4 227 B7R1.7 NCCNC1CC1 Z756920128 [0,0,0,1,0,0|2,0,1]=4 228 B7R1.7 NCCOC1CC1 Z2786559006 [0,0,0,1,0,0|2,0,1]=4 229 B7R1.7 O=C/C=C/C1CC1 Z1318198760 [0,0,0,1,0,0|2,0,1]=4 230 B7R1.7 OCCNC1CC1 Z285050134 [0,0,0,1,0,0|1,0,1]=3 231 B7R1.8 CN[C@@H]1CC[C@H]1O Z2678247023 [0,0,0,1,0,0|1,0,2]=4 232 B7R1.9 CC[C@@H]1C[C@H]1CN Z2235810238 [0,0,0,1,0,0|1,0,2]=4 233 B7R1.24 C1=CCCNCC1 Z1255363448 [0,0,0,1,0,0|1,0,0]=2 234 B7R1.24 C1CCCNCC1 Z57127566 [0,0,0,1,0,0|1,0,2]=4 235 B7R1.24 C1CCNOCC1 Z1824482753 [0,0,0,1,0,0|1,0,2]=4 236 B7R1.24 C1CNCCOC1 Z359510198 [0,0,0,1,0,0|1,0,1]=3 237 B7R1.24 C1CNCCSC1 Z1954803255 [0,0,0,1,0,0|1,1,1]=4 238 B7R1.24 C1CSSCCN1 Z1203735354 [0,0,0,1,0,0|3,0,0]=4 239 B4R0.2 CCCC#N Z238878246 [2,0,0,0,0,0|1,0,1]=4 240 B4R0.2 CCCCN Z104474314 [2,0,0,0,0,0|1,0,0]=3 241 B4R0.2 CCCCO Z104473488 [2,0,0,0,0,0|0,0,0]=2 242 B4R0.2 CCCNN Z415728048 [2,0,0,0,0,0|2,0,0]=4 243 B4R0.2 COCCO Z104473522 [2,0,0,0,0,0|1,0,0]=3 244 B4R0.2 CSCCO Z149154880 [2,0,0,0,0,0|1,0,0]=3 245 B4R0.2 NC/C=C/Cl Z2941400887 [2,0,0,0,0,0|2,0,0]=4 246 B4R0.2 NCCCN Z104478068 [2,0,0,0,0,0|2,0,0]=4 247 B4R0.2 NCCCO Z56771034 [2,0,0,0,0,0|1,0,0]=3 248 B6R0.1 C=CCC(N)CO Z1815149150 [1,1,0,0,0,0|0,0,2]=4 249 B6R0.1 CC(CN)CCO Z1203581915 [1,1,0,0,0,0|1,0,1]=4 250 B6R0.1 CC(CO)CCN Z5410631465 [1,1,0,0,0,0|1,0,1]=4 251 B6R0.1 CCC(=O)COC Z825742020 [1,1,0,0,0,0|1,0,1]=4 252 B6R0.1 CCC(N)CCO Z1258578227 [1,1,0,0,0,0|0,0,1]=3 253 B6R0.1 CCC(O)CCN Z406342052 [1,1,0,0,0,0|1,0,1]=4 254 B6R0.1 CCC(O)CCO Z1198157972 [1,1,0,0,0,0|0,0,1]=3 255 B6R0.1 CCCC(=O)CN Z1203579017 [1,1,0,0,0,0|1,0,1]=4 256 B6R0.1 CCCC(=O)NO Z59181937 [1,1,0,0,0,0|1,0,1]=4 257 B6R0.1 CCCC(N)CC Z1642389626 [1,1,0,0,0,0|0,0,2]=4 258 B6R0.1 CCCC(N)CN Z425861040 [1,1,0,0,0,0|1,0,1]=4 259 B6R0.1 CCCC(O)CN Z419084742 [1,1,0,0,0,0|1,0,1]=4 260 B6R0.1 CCNC(=N)NC Z1357224692 [1,1,0,0,0,0|2,0,0]=4 261 B6R0.1 CCNC(=O)CN Z54747476 [1,1,0,0,0,0|2,0,0]=4 262 B6R0.1 CCNC(=O)CO Z431952024 [1,1,0,0,0,0|1,0,0]=3 263 B6R0.1 CCNC(C)CC Z2509351098 [1,1,0,0,0,0|1,0,1]=4 264 B6R0.1 CCOC(=N)CC Z3033961910 [1,1,0,0,0,0|1,0,0]=3 265 B6R0.1 CCOC(=O)CN Z594038186 [1,1,0,0,0,0|2,0,0]=4 266 B6R0.1 CCOC(=O)CO Z385458066 [1,1,0,0,0,0|1,0,0]=3 267 B6R0.1 CCOC(C)CN Z844631802 [1,1,0,0,0,0|2,0,0]=4 268 B6R0.1 CCS(=O)CCN Z1266854910 [1,1,0,0,0,0|2,0,0]=4 269 B6R0.1 CNC(=O)CCCl Z239813512 [1,1,0,0,0,0|2,0,0]=4 270 B6R0.1 CNC(=O)CCN Z425449754 [1,1,0,0,0,0|2,0,0]=4 271 B6R0.1 CNC(=O)CCO Z975909370 [1,1,0,0,0,0|1,0,0]=3 272 B6R0.1 CNC(C)CCO Z1198266877 [1,1,0,0,0,0|1,0,1]=4 273 B6R0.1 CNC[C@H](O)CO Z600533638 [1,1,0,0,0,0|1,0,1]=4 274 B6R0.1 COCC(C)CO Z1192375999 [1,1,0,0,0,0|1,0,1]=4 275 B6R0.1 COCC(N)CO Z1945984156 [1,1,0,0,0,0|1,0,1]=4 276 B6R0.1 CSC(C)CCO Z1262258908 [1,1,0,0,0,0|1,0,1]=4 277 B6R0.1 CSCC(C)CO Z1270310211 [1,1,0,0,0,0|1,0,1]=4 278 B6R0.1 CSCC(O)CO Z1126770422 [1,1,0,0,0,0|1,0,1]=4 279 B6R0.4 CC(=O)NCCCl Z57983106 [1,1,0,0,0,0|2,0,0]=4 280 B6R0.4 CC(=O)OCCN Z1973465551 [1,1,0,0,0,0|2,0,0]=4 281 B6R0.4 CC(C)CCCN Z992716898 [1,1,0,0,0,0|1,0,1]=4 282 B6R0.4 CC(C)NCCN Z3375885739 [1,1,0,0,0,0|2,0,0]=4 283 B6R0.4 CC(C)NCCO Z137800940 [1,1,0,0,0,0|1,0,0]=3 284 B6R0.4 CC(C)OCCN Z1688198421 [1,1,0,0,0,0|2,0,0]=4 285 B6R0.4 CC(C)OCCO Z104478444 [1,1,0,0,0,0|1,0,0]=3 286 B6R0.4 CC(C)SCCN Z2092369402 [1,1,0,0,0,0|2,0,0]=4 287 B6R0.4 CC(N)CCCN Z2230911100 [1,1,0,0,0,0|1,0,1]=4 288 B6R0.4 CC(N)CCCO Z1203578676 [1,1,0,0,0,0|0,0,1]=3 289 B6R0.4 CC(O)CCCN Z1198178891 [1,1,0,0,0,0|1,0,1]=4 290 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,1,0,0,0,0|0,0,1]=3 291 B6R0.4 CCCCB(O)O Z1147227739 [1,1,0,0,0,0|1,0,1]=4 292 B6R0.4 CCCCC(=O)O Z104473312 [1,1,0,0,0,0|0,0,2]=4 293 B6R0.4 CCCCC(C)N Z3300506318 [1,1,0,0,0,0|0,0,2]=4 294 B6R0.4 CCCNC(=O)C Z33030314 [1,1,0,0,0,0|2,0,0]=4 295 B6R0.4 CCNCC(=O)O Z744593094 [1,1,0,0,0,0|1,0,1]=4 296 B6R0.4 CCNCC(C)C Z380844664 [1,1,0,0,0,0|1,0,1]=4 297 B6R0.4 CCNCC(C)O Z138692768 [1,1,0,0,0,0|1,0,0]=3 298 B6R0.4 CCNCC(F)F Z1691545150 [1,1,0,0,0,0|2,0,0]=4 299 B6R0.4 CCOCC(=O)O Z104495232 [1,1,0,0,0,0|1,0,1]=4 300 B6R0.4 CCOCC(C)N Z839575202 [1,1,0,0,0,0|1,0,1]=4 301 B6R0.4 CCSCC(C)N Z1203641186 [1,1,0,0,0,0|1,0,1]=4 302 B6R0.4 CNCCC(C)O Z1203731868 [1,1,0,0,0,0|1,0,1]=4 303 B6R0.4 COCCC(C)O Z818738042 [1,1,0,0,0,0|1,0,1]=4 304 B6R0.4 CS/C=C/C(=O)O Z1868430572 [1,1,0,0,0,0|1,0,1]=4 305 B6R0.4 N=C(N)NCCO Z911465228 [1,1,0,0,0,0|2,0,0]=4 306 B6R0.4 N=C(N)SCCO Z57111959 [1,1,0,0,0,0|2,0,0]=4 307 B6R0.4 NC(=O)CCCO Z1203578394 [1,1,0,0,0,0|1,0,1]=4 308 B6R0.4 NC(=O)OCCO Z1198158440 [1,1,0,0,0,0|2,0,0]=4 309 B6R0.4 O=C(O)/C=C/CO Z3178016098 [1,1,0,0,0,0|1,0,1]=4 310 B8R0.1 C=CCCC(=O)CCC Z406377524 [0,2,0,0,0,0|1,0,1]=4 311 B8R0.1 CCCNC(=O)CNC Z56979317 [0,2,0,0,0,0|2,0,0]=4 312 B8R0.1 CCCOC(=O)OCC Z2375631176 [0,2,0,0,0,0|2,0,0]=4 313 B8R0.1 CCNC(=O)NCCN Z2205958434 [0,2,0,0,0,0|2,0,0]=4 314 B8R0.1 CCNC(=O)NCCO Z425745170 [0,2,0,0,0,0|1,0,0]=3 315 B8R0.1 CCNCC(=O)NCC Z55849446 [0,2,0,0,0,0|2,0,0]=4 316 B8R0.1 CCOC(=O)CCNC Z2240989662 [0,2,0,0,0,0|2,0,0]=4 317 B8R0.1 CCOC(=O)NCCN Z1263820337 [0,2,0,0,0,0|2,0,0]=4 318 B8R0.1 CCOC(=O)NCCO Z31725113 [0,2,0,0,0,0|1,0,0]=3 319 B8R0.1 CNCCN(C)CCO Z2526438856 [0,2,0,0,0,0|1,0,1]=4 320 B8R0.1 COCCC(=O)COC Z992968820 [0,2,0,0,0,0|1,0,1]=4 321 B8R0.1 N#CCC(=O)NCCO Z57906863 [0,2,0,0,0,0|1,0,1]=4 322 B8R0.4 C#CCCCCCCO Z1198157198 [0,2,0,0,0,0|0,0,2]=4 323 B8R0.4 CCCCCCCCO Z104473500 [0,2,0,0,0,0|0,0,2]=4 324 B8R0.4 CCCCCNCCO Z137800944 [0,2,0,0,0,0|0,0,2]=4 325 B8R0.4 CCCCNCCCO Z102766210 [0,2,0,0,0,0|0,0,2]=4 326 B8R0.4 COCCCNCCO Z382722010 [0,2,0,0,0,0|0,0,2]=4 327 B8R0.4 COCCNCCCN Z970105370 [0,2,0,0,0,0|1,0,1]=4 328 B8R0.4 COCCNCCOC Z104475212 [0,2,0,0,0,0|1,0,1]=4 329 B8R0.4 COCCOCCCO Z1080358808 [0,2,0,0,0,0|0,0,2]=4 330 B8R0.4 COCCOCCOC Z104473160 [0,2,0,0,0,0|1,0,1]=4 331 B8R0.4 NCCCCCCCO Z3016956569 [0,2,0,0,0,0|0,0,2]=4 332 B8R0.4 OCCCNCCCO Z104684334 [0,2,0,0,0,0|0,0,2]=4 333 B8R0.6 CC(CO)CSCCO Z1270309408 [0,2,0,0,0,0|1,0,1]=4 334 B8R0.6 CNC(=O)NCCCO Z177090148 [0,2,0,0,0,0|1,0,1]=4 335 B8R0.6 COCCNC(=O)CCl Z56887684 [0,2,0,0,0,0|2,0,0]=4 336 B8R0.7 CC(C)CCCCCO Z1198149583 [0,2,0,0,0,0|0,0,2]=4 337 B8R0.7 CC(C)CCNCCO Z102766092 [0,2,0,0,0,0|0,0,2]=4 338 B8R0.7 CC(C)CCOCCO Z608482468 [0,2,0,0,0,0|0,0,2]=4 339 B8R0.7 CC(C)COCCCO Z1080358758 [0,2,0,0,0,0|0,0,2]=4 340 B8R0.7 CC(C)OCCCCO Z993012606 [0,2,0,0,0,0|0,0,2]=4 341 B8R0.7 CCCCCCC(=O)O Z104474412 [0,2,0,0,0,0|0,0,2]=4 342 B8R0.7 CCCNCCC(=O)O Z2944330072 [0,2,0,0,0,0|1,0,1]=4 343 B8R0.7 CCNCCCC(=O)O Z2937339976 [0,2,0,0,0,0|1,0,1]=4 344 B8R0.7 CCOCCCC(=O)O Z316258950 [0,2,0,0,0,0|1,0,1]=4 345 B8R0.7 CN(C)CCCCCO Z968555516 [0,2,0,0,0,0|0,0,2]=4 346 B8R0.7 CN(C)CCNCCO Z137800968 [0,2,0,0,0,0|1,0,1]=4 347 B8R0.7 COCCNCC(C)C Z90501879 [0,2,0,0,0,0|1,0,1]=4 348 B8R0.7 COCCOCC(C)N Z1262237318 [0,2,0,0,0,0|1,0,1]=4 349 B8R0.7 OCCCOCC(F)F Z1532734938 [0,2,0,0,0,0|1,0,1]=4 350 B8R0.3 CCCC(C)C(=O)CC Z1138187109 [0,2,0,0,0,0|1,0,1]=4 351 B8R0.3 CCCC(C)C(N)CO Z2379035176 [0,2,0,0,0,0|0,0,2]=4 352 B8R0.3 CCOC(=O)C(C)CN Z1350606453 [0,2,0,0,0,0|2,0,0]=4 353 B8R0.3 CCOC(=O)C(C)CO Z852748566 [0,2,0,0,0,0|1,0,0]=3 354 B8R0.3 COC(=O)N(C)CCO Z371625398 [0,2,0,0,0,0|2,0,0]=4 355 B8R0.8 CC(N)C(=O)NCCF Z1992147476 [0,2,0,0,0,0|2,0,0]=4 356 B8R0.8 CC(N)C(=O)NCCN Z1080379186 [0,2,0,0,0,0|2,0,0]=4 357 B8R0.8 CCCCC(N)C(C)O Z2453175125 [0,2,0,0,0,0|0,0,2]=4 358 B8R0.8 CCCNC(=O)C(C)Cl Z147652134 [0,2,0,0,0,0|2,0,0]=4 359 B8R0.8 CCCNC(=O)C(C)N Z89265000 [0,2,0,0,0,0|2,0,0]=4 360 B8R0.8 CN(C)C(=O)CCCO Z839108358 [0,2,0,0,0,0|1,0,1]=4 361 B8R0.8 CN(C)C(=O)NCCO Z208334210 [0,2,0,0,0,0|2,0,0]=4 362 B8R0.8 C[C@H](N)C(=O)NCCO Z1398462031 [0,2,0,0,0,0|1,0,0]=3 363 B8R0.9 CC(C)CCC(N)CO Z1198179431 [0,2,0,0,0,0|0,0,2]=4 364 B8R0.9 CC(C)CCC(O)CO Z1617994519 [0,2,0,0,0,0|0,0,2]=4 365 B8R0.9 CC(C)COC(C)CO Z1896289316 [0,2,0,0,0,0|1,0,1]=4 366 B8R0.9 CC(C)NCC(O)CO Z385465736 [0,2,0,0,0,0|1,0,1]=4 367 B8R0.9 CC(O)CNC(C)CO Z600449192 [0,2,0,0,0,0|1,0,1]=4 368 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [0,2,0,0,0,0|0,0,2]=4 369 B8R0.9 CCC(=O)NCC(=O)O Z85886715 [0,2,0,0,0,0|1,0,1]=4 370 B8R0.11 C/N=C(\NC)/NCCO Z911465230 [0,2,0,0,0,0|2,0,0]=4 371 B8R0.11 CCC(CC)CCCO Z1198265454 [0,2,0,0,0,0|0,0,2]=4 372 B8R0.11 CCC(CC)NCCO Z335251710 [0,2,0,0,0,0|1,0,1]=4 373 B8R0.11 CCN(CC)CCCO Z1675167178 [0,2,0,0,0,0|1,0,1]=4 374 B8R0.19 CCC(C)CC(N)CO Z1198179422 [0,2,0,0,0,0|0,0,2]=4 375 B8R0.19 CCC(N)CC(C)CO Z1270456881 [0,2,0,0,0,0|0,0,2]=4 376 B8R0.25 CCCCC(C)(N)CO Z2379804923 [0,2,0,0,0,0|0,0,2]=4 377 B8R0.25 CCNCC(C)(C)CO Z1203746234 [0,2,0,0,0,0|1,0,1]=4 378 B8R0.5 CC(C)CC(N)CCO Z223025192 [0,2,0,0,0,0|0,0,2]=4 379 B8R0.5 CC(C)NC(=O)CCCl Z239813378 [0,2,0,0,0,0|2,0,0]=4 380 B8R0.5 CC(C)NC(=O)CCN Z426041532 [0,2,0,0,0,0|2,0,0]=4 381 B8R0.5 CC(C)OC(=O)CCN Z147652234 [0,2,0,0,0,0|2,0,0]=4 382 B8R0.5 CCNC(=O)CC(C)O Z1203750199 [0,2,0,0,0,0|1,0,0]=3 383 B8R0.5 CCOC(=N)CC(C)C Z1374778812 [0,2,0,0,0,0|2,0,0]=4 384 B8R0.21 CC(C)(C)NCCCO Z1268152325 [0,2,0,0,0,0|1,0,1]=4 385 B8R0.21 CC(C)(O)CCCCO Z1725965028 [0,2,0,0,0,0|0,0,2]=4 386 B8R0.21 CCCNCC(C)(C)O Z600453870 [0,2,0,0,0,0|1,0,1]=4 387 B8R0.22 CCCC(CN)CCO Z1269766401 [0,2,0,0,0,0|0,0,2]=4 388 B8R0.30 CCCS(=O)(=O)CCO Z1255424700 [0,2,0,0,0,0|1,0,1]=4 389 B6R1.1 C1=CCCCC1 Z104474726 [1,0,0,1,0,0|0,0,0]=2 390 B6R1.1 C1=CCNCC1 Z1623864216 [1,0,0,1,0,0|1,0,0]=3 391 B6R1.1 C1=CCONC1 Z1486018651 [1,0,0,1,0,0|1,0,0]=3 392 B6R1.1 C1=NCCCN1 Z1198163087 [1,0,0,1,0,0|2,0,0]=4 393 B6R1.1 C1CCONC1 Z1787355355 [1,0,0,1,0,0|1,0,1]=4 394 B6R1.1 C1CNCCN1 Z1245537944 [1,0,0,1,0,0|2,0,0]=4 395 B6R1.1 C1COCCN1 Z57127568 [1,0,0,1,0,0|1,0,0]=3 396 B6R1.1 C1CSCCN1 Z352252014 [1,0,0,1,0,0|1,1,0]=4 397 B6R1.2 CC1=CC=CO1 Z104472456 [1,0,0,1,0,0|0,0,2]=4 398 B6R1.2 CC1=CCNC1 Z1203734447 [1,0,0,1,0,0|2,0,0]=4 399 B6R1.2 CC1=CN=CO1 Z1198180653 [1,0,0,1,0,0|1,0,1]=4 400 B6R1.2 CC1=NCCN1 Z204020260 [1,0,0,1,0,0|2,0,0]=4 401 B6R1.2 CC1=NCCS1 Z104480256 [1,0,0,1,0,0|1,1,0]=4 402 B6R1.2 CC1CCCN1 Z1274177652 [1,0,0,1,0,0|1,0,1]=4 403 B6R1.2 CC1CCNC1 Z729771722 [1,0,0,1,0,0|1,0,1]=4 404 B6R1.2 FC1CCNC1 Z1139751347 [1,0,0,1,0,0|2,0,0]=4 405 B6R1.2 NC1=NCCO1 Z336087916 [1,0,0,1,0,0|2,0,0]=4 406 B6R1.2 NC1C=CCC1 Z2679312470 [1,0,0,1,0,0|1,0,0]=3 407 B6R1.2 NC1CC=CC1 Z1416200863 [1,0,0,1,0,0|1,0,0]=3 408 B6R1.2 NC1CCOC1 Z802544198 [1,0,0,1,0,0|2,0,0]=4 409 B6R1.2 NC1CCSC1 Z1267885911 [1,0,0,1,0,0|2,0,0]=4 410 B6R1.2 N[C@@H]1C=CCC1 Z1203585093 [1,0,0,1,0,0|1,0,0]=3 411 B6R1.2 O=C1C=CCO1 Z1219048777 [1,0,0,1,0,0|1,0,1]=4 412 B6R1.2 O=C1NCCO1 Z104474784 [1,0,0,1,0,0|2,0,0]=4 413 B6R1.2 O=C1OCCO1 Z1172235744 [1,0,0,1,0,0|2,0,0]=4 414 B6R1.2 OC1C=CCC1 Z1255485846 [1,0,0,1,0,0|0,0,0]=2 415 B6R1.2 OC1CCOC1 Z1124541349 [1,0,0,1,0,0|1,0,0]=3 416 B6R1.2 OC1CCSC1 Z335244836 [1,0,0,1,0,0|1,0,0]=3 417 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [1,0,0,1,0,0|1,0,0]=3 418 B6R1.2 O[C@H]1CCNC1 Z1263714116 [1,0,0,1,0,0|1,0,0]=3 419 B6R1.3 ClCCC1CO1 Z1205657512 [1,0,0,1,0,0|1,0,1]=4 420 B6R1.3 NCCC1CC1 Z1267773823 [1,0,0,1,0,0|1,0,1]=4 421 B6R1.3 OCCC1CC1 Z826525694 [1,0,0,1,0,0|0,0,1]=3 422 B6R1.4 CC1CCC1N Z2082999653 [1,0,0,1,0,0|1,0,1]=4 423 B6R1.6 NCC1CCC1 Z381061564 [1,0,0,1,0,0|1,0,1]=4 424 B6R1.8 CC1CC1CN Z415636622 [1,0,0,1,0,0|1,0,1]=4 425 B6R1.8 CC1CC1CO Z397587430 [1,0,0,1,0,0|0,0,1]=3 426 B6R1.8 CC1OC1CCl Z1205657581 [1,0,0,1,0,0|2,0,0]=4 427 B8R1.2 BrCC1CCCCO1 Z104484248 [0,1,0,1,0,0|0,0,2]=4 428 B8R1.2 CCC1CNCCO1 Z283724556 [0,1,0,1,0,0|0,0,2]=4 429 B8R1.2 CCC1COCCN1 Z405749950 [0,1,0,1,0,0|1,0,1]=4 430 B8R1.2 COC1C=CCNC1 Z3615520660 [0,1,0,1,0,0|2,0,0]=4 431 B8R1.2 COC1CCC=CO1 Z995169098 [0,1,0,1,0,0|1,0,0]=3 432 B8R1.2 COC1CCNCC1 Z169511496 [0,1,0,1,0,0|1,0,1]=4 433 B8R1.2 COC1CNCCO1 Z1203748232 [0,1,0,1,0,0|1,0,1]=4 434 B8R1.2 ClCC1CNCCO1 Z1198749808 [0,1,0,1,0,0|1,0,1]=4 435 B8R1.2 FCC1CNCCO1 Z1262569974 [0,1,0,1,0,0|1,0,1]=4 436 B8R1.2 NCC1=CCCCC1 Z2230911155 [0,1,0,1,0,0|2,0,0]=4 437 B8R1.2 NCC1=CCCOC1 Z2096659348 [0,1,0,1,0,0|1,0,0]=3 438 B8R1.2 NCC1=CCOCC1 Z2234185641 [0,1,0,1,0,0|2,0,0]=4 439 B8R1.2 NCC1=COCCO1 Z425641798 [0,1,0,1,0,0|1,0,0]=3 440 B8R1.2 NCC1CCCCO1 Z839575544 [0,1,0,1,0,0|0,0,2]=4 441 B8R1.2 O=CC1=CCCOC1 Z979787886 [0,1,0,1,0,0|1,0,1]=4 442 B8R1.2 O=CC1=COCCO1 Z1198154290 [0,1,0,1,0,0|1,0,1]=4 443 B8R1.2 O=CC1CC=CCC1 Z57936862 [0,1,0,1,0,0|0,0,1]=3 444 B8R1.2 O=CC1CCC=CO1 Z600389890 [0,1,0,1,0,0|0,0,2]=4 445 B8R1.2 OCC1=CCNCC1 Z2310702179 [0,1,0,1,0,0|0,0,2]=4 446 B8R1.2 OCC1=COCCO1 Z1101443027 [0,1,0,1,0,0|1,0,0]=3 447 B8R1.2 OCC1C=CCCN1 Z4430264645 [0,1,0,1,0,0|0,0,0]=2 448 B8R1.2 OCC1CC=CCC1 Z104476102 [0,1,0,1,0,0|0,0,0]=2 449 B8R1.2 OCC1CCCCC1 Z104503428 [0,1,0,1,0,0|0,0,2]=4 450 B8R1.2 OCC1CCCCN1 Z104476610 [0,1,0,1,0,0|0,0,2]=4 451 B8R1.2 OCC1CCCCO1 Z104479808 [0,1,0,1,0,0|0,0,2]=4 452 B8R1.2 OCC1CCCNC1 Z104479614 [0,1,0,1,0,0|0,0,2]=4 453 B8R1.2 OCC1CCCOC1 Z445213352 [0,1,0,1,0,0|0,0,2]=4 454 B8R1.2 OCC1CCNCC1 Z380864362 [0,1,0,1,0,0|0,0,2]=4 455 B8R1.2 OCC1CCOCC1 Z979753218 [0,1,0,1,0,0|0,0,2]=4 456 B8R1.2 OCC1CCSCC1 Z1198266791 [0,1,0,1,0,0|0,0,2]=4 457 B8R1.2 OCC1CNCCO1 Z1235945999 [0,1,0,1,0,0|1,0,1]=4 458 B8R1.2 OCC1COCCN1 Z2513335525 [0,1,0,1,0,0|1,0,1]=4 459 B8R1.2 OCC1COCCO1 Z1020816972 [0,1,0,1,0,0|1,0,1]=4 460 B8R1.2 OCC1CSCCN1 Z1203733048 [0,1,0,1,0,0|1,0,1]=4 461 B8R1.2 OC[C@H]1CCCCN1 Z1203731003 [0,1,0,1,0,0|0,0,2]=4 462 B8R1.5 CC1CCCCC1=O Z104477192 [0,1,0,1,0,0|1,0,1]=4 463 B8R1.5 CC1CCCCC1O Z104478402 [0,1,0,1,0,0|0,0,2]=4 464 B8R1.5 CC1CCCNC1=O Z1013766916 [0,1,0,1,0,0|2,0,0]=4 465 B8R1.5 CC1CNCCC1O Z1742055068 [0,1,0,1,0,0|0,0,2]=4 466 B8R1.5 CC1COCCC1O Z1255390393 [0,1,0,1,0,0|0,0,2]=4 467 B8R1.5 CC1NCCCC1O Z2235409289 [0,1,0,1,0,0|0,0,2]=4 468 B8R1.5 CC1NCCNC1=O Z336079670 [0,1,0,1,0,0|2,0,0]=4 469 B8R1.5 CC1NCCOC1C Z1187835063 [0,1,0,1,0,0|1,0,1]=4 470 B8R1.5 CC1SCCCC1=O Z1359849054 [0,1,0,1,0,0|0,1,1]=4 471 B8R1.5 CC1SCCNC1=O Z1098219156 [0,1,0,1,0,0|1,1,0]=4 472 B8R1.5 C[C@@H]1CC=CC[C@H]1N Z2935743479 [0,1,0,1,0,0|1,0,0]=3 473 B8R1.5 C[C@@H]1CCCC[C@H]1O Z1896168809 [0,1,0,1,0,0|0,0,2]=4 474 B8R1.5 C[C@@H]1CCNC[C@@H]1O Z2307368538 [0,1,0,1,0,0|0,0,2]=4 475 B8R1.5 C[C@@H]1NCCC[C@@H]1O Z2568757708 [0,1,0,1,0,0|0,0,2]=4 476 B8R1.5 C[C@@H]1NCCO[C@@H]1C Z2412195478 [0,1,0,1,0,0|1,0,1]=4 477 B8R1.5 C[C@@H]1NCCO[C@H]1C Z4524514028 [0,1,0,1,0,0|1,0,1]=4 478 B8R1.5 C[C@H]1CCCC[C@@H]1O Z1255486326 [0,1,0,1,0,0|0,0,2]=4 479 B8R1.5 NC1CCOCC1O Z2688974552 [0,1,0,1,0,0|1,0,1]=4 480 B8R1.5 N[C@@H]1CCCC[C@@H]1O Z2235399143 [0,1,0,1,0,0|0,0,2]=4 481 B8R1.5 N[C@@H]1COCC[C@H]1O Z2309916421 [0,1,0,1,0,0|1,0,1]=4 482 B8R1.5 OC1CCCCC1O Z600453486 [0,1,0,1,0,0|0,0,2]=4 483 B8R1.5 OC1CCNCC1F Z1416168950 [0,1,0,1,0,0|1,0,1]=4 484 B8R1.5 O[C@@H]1CCCC[C@H]1O Z2240998867 [0,1,0,1,0,0|0,0,2]=4 485 B8R1.5 O[C@@H]1CNCC[C@H]1F Z2307343627 [0,1,0,1,0,0|1,0,1]=4 486 B8R1.5 O[C@H]1CONC[C@H]1O Z3073361071 [0,1,0,1,0,0|2,0,0]=4 487 B8R1.8 CC/C=C\1/CCNC1 Z1353044913 [0,1,0,1,0,0|1,0,0]=3 488 B8R1.8 CNCC1=CC=CO1 Z57051072 [0,1,0,1,0,0|0,0,2]=4 489 B8R1.8 CNCC1CCCO1 Z137696198 [0,1,0,1,0,0|0,0,2]=4 490 B8R1.8 COCC1C=CCN1 Z4442497224 [0,1,0,1,0,0|1,0,0]=3 491 B8R1.8 COCC1CCCN1 Z1342208414 [0,1,0,1,0,0|1,0,1]=4 492 B8R1.8 NCCC1=CC=CO1 Z1694636467 [0,1,0,1,0,0|0,0,2]=4 493 B8R1.8 NCCC1CCCO1 Z1245635808 [0,1,0,1,0,0|0,0,2]=4 494 B8R1.8 OCCC1=CC=CO1 Z1179944660 [0,1,0,1,0,0|0,0,2]=4 495 B8R1.8 OCCC1=CC=CS1 Z397587354 [0,1,0,1,0,0|0,0,2]=4 496 B8R1.8 OCCC1=CN=CS1 Z1198334159 [0,1,0,1,0,0|1,0,1]=4 497 B8R1.8 OCCC1=CNN=C1 Z1333876037 [0,1,0,1,0,0|1,0,1]=4 498 B8R1.8 OCCC1=CNN=N1 Z982120080 [0,1,0,1,0,0|2,0,0]=4 499 B8R1.8 OCCC1=COC=C1 Z1179944659 [0,1,0,1,0,0|0,0,2]=4 500 B8R1.8 OCCC1=CSC=C1 Z397587098 [0,1,0,1,0,0|0,0,2]=4 501 B8R1.8 OCCC1=CSC=N1 Z1263714384 [0,1,0,1,0,0|1,0,1]=4 502 B8R1.8 OCCC1CCCC1 Z397587408 [0,1,0,1,0,0|0,0,2]=4 503 B8R1.8 OCCC1CCCN1 Z1198148537 [0,1,0,1,0,0|0,0,2]=4 504 B8R1.8 OCCC1CCCO1 Z1183459210 [0,1,0,1,0,0|0,0,2]=4 505 B8R1.8 OCCC1CCNC1 Z1198184196 [0,1,0,1,0,0|0,0,2]=4 506 B8R1.8 OCCC1CCOC1 Z1138844344 [0,1,0,1,0,0|0,0,2]=4 507 B8R1.8 OCCN1C=CC=N1 Z425794824 [0,1,0,1,0,0|1,0,1]=4 508 B8R1.8 OCCN1CCCC1 Z104477730 [0,1,0,1,0,0|0,0,2]=4 509 B8R1.10 OCCOC1CCC1 Z959313250 [0,1,0,1,0,0|0,0,2]=4 510 B8R1.11 CC1=C(C=CO1)CO Z397587324 [0,1,0,1,0,0|0,0,2]=4 511 B8R1.11 CC1CCNC1CO Z1203831515 [0,1,0,1,0,0|0,0,2]=4 512 B8R1.11 CC1NCCC1CO Z1255464335 [0,1,0,1,0,0|0,0,2]=4 513 B8R1.11 CCC1CCCC1=O Z813018310 [0,1,0,1,0,0|1,0,1]=4 514 B8R1.11 CCC1CCNC1=O Z1203732458 [0,1,0,1,0,0|2,0,0]=4 515 B8R1.11 CCC1CNCC1O Z1509030677 [0,1,0,1,0,0|0,0,2]=4 516 B8R1.11 CCN1CCCC1=O Z1255438420 [0,1,0,1,0,0|2,0,0]=4 517 B8R1.11 CN1C=CN=C1CO Z212169576 [0,1,0,1,0,0|1,0,1]=4 518 B8R1.11 CN1C=NC=C1CO Z1115775402 [0,1,0,1,0,0|1,0,1]=4 519 B8R1.11 CN1N=CC=C1CO Z501748978 [0,1,0,1,0,0|1,0,1]=4 520 B8R1.11 COC1CCCC1O Z854223428 [0,1,0,1,0,0|0,0,2]=4 521 B8R1.11 CO[C@@H]1CCC[C@H]1O Z2286637815 [0,1,0,1,0,0|0,0,2]=4 522 B8R1.11 CO[C@@H]1CCN[C@@H]1C Z4509390435 [0,1,0,1,0,0|1,0,1]=4 523 B8R1.11 CO[C@@H]1CNC[C@H]1O Z1982426537 [0,1,0,1,0,0|1,0,1]=4 524 B8R1.11 CO[C@H]1CCC[C@@H]1O Z1162417007 [0,1,0,1,0,0|0,0,2]=4 525 B8R1.11 C[C@@H]1CNC[C@H]1CO Z1955350046 [0,1,0,1,0,0|0,0,2]=4 526 B8R1.11 NCC1CCCC1O Z409444212 [0,1,0,1,0,0|0,0,2]=4 527 B8R1.11 NC[C@@H]1COC[C@@H]1O Z2828229275 [0,1,0,1,0,0|1,0,1]=4 528 B8R1.11 N[C@@H]1COC[C@@H]1CO Z2568674574 [0,1,0,1,0,0|1,0,1]=4 529 B8R1.11 N[C@H]1CCC[C@H]1CO Z1198220662 [0,1,0,1,0,0|0,0,2]=4 530 B8R1.11 O=C1CCCN1CO Z56755633 [0,1,0,1,0,0|1,0,1]=4 531 B8R1.11 O=C1NCCC1CO Z1203746842 [0,1,0,1,0,0|1,0,0]=3 532 B8R1.11 OC[C@@H]1CNC[C@H]1F Z3069557183 [0,1,0,1,0,0|1,0,1]=4 533 B8R1.13 O=C1CCN1CCO Z1897885187 [0,1,0,1,0,0|1,0,0]=3 534 B8R1.22 CC1CCNCCO1 Z2855997854 [0,1,0,1,0,0|0,0,2]=4 535 B8R1.22 CC1CCOCCN1 Z2940715295 [0,1,0,1,0,0|1,0,1]=4 536 B8R1.22 CC1CNCCCO1 Z425722880 [0,1,0,1,0,0|0,0,2]=4 537 B8R1.22 CC1CNCCOC1 Z1216819166 [0,1,0,1,0,0|1,0,1]=4 538 B8R1.22 CC1COCCCN1 Z1216819161 [0,1,0,1,0,0|1,0,1]=4 539 B8R1.22 FC1CNCCOC1 Z4924614783 [0,1,0,1,0,0|1,0,1]=4 540 B8R1.22 NC1CCC=CCC1 Z2824346881 [0,1,0,1,0,0|1,0,0]=3 541 B8R1.22 NC1COCCOC1 Z1463350443 [0,1,0,1,0,0|1,0,1]=4 542 B8R1.22 O=C1CCCCCC1 Z104473100 [0,1,0,1,0,0|1,0,1]=4 543 B8R1.22 O=C1CCNCCN1 Z119989554 [0,1,0,1,0,0|2,0,0]=4 544 B8R1.22 O=C1CCOCCN1 Z821098578 [0,1,0,1,0,0|1,0,0]=3 545 B8R1.22 O=C1CCSCCN1 Z1198315286 [0,1,0,1,0,0|1,1,0]=4 546 B8R1.22 OC1CCCNCC1 Z1198309797 [0,1,0,1,0,0|0,0,2]=4 547 B8R1.22 OC1CNCCOC1 Z2234631219 [0,1,0,1,0,0|1,0,1]=4 548 B8R1.36 BrCCOCC1CO1 Z3038215664 [0,1,0,1,0,0|1,0,1]=4 549 B8R1.36 CCOCCC1CO1 Z1495386137 [0,1,0,1,0,0|0,0,2]=4 550 B8R1.36 COCCNC1CC1 Z1708090045 [0,1,0,1,0,0|1,0,1]=4 551 B8R1.36 OCCCNC1CC1 Z138414456 [0,1,0,1,0,0|0,0,2]=4 552 B8R1.36 OCCNCC1CC1 Z335251956 [0,1,0,1,0,0|0,0,2]=4 553 B8R1.36 OCCOCC1CC1 Z854231442 [0,1,0,1,0,0|0,0,2]=4 554 B8R1.36 OCCOCC1CO1 Z332379868 [0,1,0,1,0,0|1,0,1]=4 555 B8R1.1 CC1=CC=C(O1)CO Z335244864 [0,1,0,1,0,0|0,0,2]=4 556 B8R1.1 CC1=CC=C(S1)CO Z381678056 [0,1,0,1,0,0|0,0,2]=4 557 B8R1.1 CCC1=CN=C(O1)N Z994289172 [0,1,0,1,0,0|1,0,1]=4 558 B8R1.1 CCC1CCC(=O)N1 Z1203731077 [0,1,0,1,0,0|2,0,0]=4 559 B8R1.1 CN1C=CC(=N1)CO Z802669186 [0,1,0,1,0,0|1,0,1]=4 560 B8R1.1 CN1CCC(C1)CO Z976730728 [0,1,0,1,0,0|1,0,1]=4 561 B8R1.1 NCC1CCC(=O)N1 Z1171481666 [0,1,0,1,0,0|2,0,0]=4 562 B8R1.1 NCC1CCC(=O)O1 Z1262632907 [0,1,0,1,0,0|2,0,0]=4 563 B8R1.1 O=C1C=C(CO1)CO Z1486015893 [0,1,0,1,0,0|1,0,1]=4 564 B8R1.1 O=C1CC(CN1)CO Z1201625841 [0,1,0,1,0,0|1,0,1]=4 565 B8R1.1 O=C1CCC(N1)CO Z235344363 [0,1,0,1,0,0|1,0,0]=3 566 B8R1.1 O=C1CC[C@H](N1)CO Z235344345 [0,1,0,1,0,0|1,0,0]=3 567 B8R1.1 O=C1N[C@H](CO1)CO Z1203731623 [0,1,0,1,0,0|2,0,0]=4 568 B8R1.1 OCC1CC(CN1)F Z1753033006 [0,1,0,1,0,0|1,0,1]=4 569 B8R1.3 CC1=CCC(CC1)N Z3857655203 [0,1,0,1,0,0|1,0,0]=3 570 B8R1.3 CC1CCC(=O)CC1 Z57073963 [0,1,0,1,0,0|1,0,1]=4 571 B8R1.3 CC1CCC(=O)NC1 Z969194082 [0,1,0,1,0,0|2,0,0]=4 572 B8R1.3 CC1CCC(CC1)O Z104476106 [0,1,0,1,0,0|0,0,2]=4 573 B8R1.3 CC1CCC(CN1)O Z2350906968 [0,1,0,1,0,0|1,0,1]=4 574 B8R1.3 CC1CCC(CO1)O Z1898581838 [0,1,0,1,0,0|0,0,2]=4 575 B8R1.3 CC1COC(CN1)C Z327218388 [0,1,0,1,0,0|1,0,1]=4 576 B8R1.3 CN1CC=C(CC1)Br Z4896525382 [0,1,0,1,0,0|2,0,0]=4 577 B8R1.3 C[C@@H]1CC[C@@H](CN1)O Z2309899176 [0,1,0,1,0,0|1,0,1]=4 578 B8R1.3 C[C@@H]1CC[C@H](CN1)O Z2327179252 [0,1,0,1,0,0|1,0,1]=4 579 B8R1.3 NC1CCC(=O)CC1 Z1198169628 [0,1,0,1,0,0|1,0,1]=4 580 B8R1.3 NC1CCC(=O)NC1 Z992717028 [0,1,0,1,0,0|2,0,0]=4 581 B8R1.3 O=C1NCC(CN1)O Z1198163621 [0,1,0,1,0,0|2,0,0]=4 582 B8R1.3 OC1CCC(CC1)O Z1178486717 [0,1,0,1,0,0|0,0,2]=4 583 B8R1.38 CC(CO)C1CCC1 Z1717769985 [0,1,0,1,0,0|0,0,2]=4 584 B8R1.38 CCC(=O)C1CCC1 Z1251352405 [0,1,0,1,0,0|1,0,1]=4 585 B8R1.40 CCN(C)CC1CO1 Z409025020 [0,1,0,1,0,0|1,0,1]=4 586 B8R1.40 COC(=O)CC1CO1 Z2689606459 [0,1,0,1,0,0|1,0,1]=4 587 B8R1.40 NC(CO)CC1CC1 Z1198179456 [0,1,0,1,0,0|0,0,2]=4 588 B8R1.50 CC1CNC(=O)C1C Z1203745887 [0,1,0,1,0,0|2,0,0]=4 589 B8R1.50 N[C@H]1C(=O)NC[C@@H]1O Z5183356392 [0,1,0,1,0,0|2,0,0]=4 590 B8R1.52 CC1(C=CCN1)CO Z4590431805 [0,1,0,1,0,0|1,0,0]=3 591 B8R1.52 CC1(CCCC1)CO Z1255466752 [0,1,0,1,0,0|0,0,2]=4 592 B8R1.52 CC1(CCCO1)CO Z1389059207 [0,1,0,1,0,0|1,0,1]=4 593 B8R1.52 CC1(CCNC1)CO Z1270138787 [0,1,0,1,0,0|1,0,1]=4 594 B8R1.52 CC1(CCOC1)CO Z1270138617 [0,1,0,1,0,0|1,0,1]=4 595 B8R1.52 NC1(CCCC1)CO Z734150968 [0,1,0,1,0,0|0,0,2]=4 596 B8R1.52 OCC1(CCCC1)O Z1258947137 [0,1,0,1,0,0|0,0,2]=4 597 B8R1.52 OCC1(CCOC1)O Z1537124515 [0,1,0,1,0,0|1,0,1]=4 598 B8R1.83 CCC(=O)C1CC1C Z1259336402 [0,1,0,1,0,0|1,0,1]=4 599 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [0,1,0,1,0,0|1,0,1]=4 600 B8R1.4 CC1=CC(CCC1)N Z3895215954 [0,1,0,1,0,0|2,0,0]=4 601 B8R1.4 CC1=CC(CCC1)O Z1255423437 [0,1,0,1,0,0|0,0,2]=4 602 B8R1.4 CC1=CC(CNC1)C Z1966484556 [0,1,0,1,0,0|2,0,0]=4 603 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [0,1,0,1,0,0|1,0,1]=4 604 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [0,1,0,1,0,0|0,0,1]=3 605 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [0,1,0,1,0,0|1,0,1]=4 606 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,1,0,1,0,0|1,0,1]=4 607 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [0,1,0,1,0,0|2,0,0]=4 608 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,1,0,1,0,0|2,0,0]=4 609 B8R1.4 CC1CNCC(C1)O Z2255082098 [0,1,0,1,0,0|1,0,1]=4 610 B8R1.4 CC1CNCC(O1)C Z104472602 [0,1,0,1,0,0|1,0,1]=4 611 B8R1.4 CN1CC(CCO1)O Z5948414894 [0,1,0,1,0,0|2,0,0]=4 612 B8R1.4 C[C@@H]1CNC[C@@H](C1)O Z2301535259 [0,1,0,1,0,0|1,0,1]=4 613 B8R1.4 C[C@@H]1CNC[C@H](C1)O Z4073561603 [0,1,0,1,0,0|1,0,1]=4 614 B8R1.4 C[C@@H]1C[C@@H](CCN1)O Z2568671386 [0,1,0,1,0,0|1,0,1]=4 615 B8R1.4 C[C@@H]1C[C@H](CCO1)N Z4121905902 [0,1,0,1,0,0|0,0,2]=4 616 B8R1.4 C[C@H]1CNC[C@H](O1)C Z1203730781 [0,1,0,1,0,0|1,0,1]=4 617 B8R1.4 NC1CCCC(C1)O Z2724335128 [0,1,0,1,0,0|0,0,2]=4 618 B8R1.4 NC1CNCC(C1)O Z4465943159 [0,1,0,1,0,0|1,0,1]=4 619 B8R1.4 N[C@H]1CCC[C@H](C1)O Z1203578804 [0,1,0,1,0,0|0,0,2]=4 620 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,1,0,1,0,0|1,0,0]=3 621 B8R1.4 O[C@@H]1CNC[C@@H](C1)F Z2525157521 [0,1,0,1,0,0|1,0,1]=4 622 B8R1.4 O[C@@H]1CNC[C@@H](C1)O Z1310777672 [0,1,0,1,0,0|1,0,1]=4 623 B8R1.6 CCOC1CC(C1)O Z1273088178 [0,1,0,1,0,0|1,0,1]=4 624 B8R1.7 CC(N)C1=CC=CO1 Z89283368 [0,1,0,1,0,0|0,0,2]=4 625 B8R1.7 CC(N)C1=NCCN1 Z2754060679 [0,1,0,1,0,0|2,0,0]=4 626 B8R1.7 CC(N)C1CCCO1 Z318730550 [0,1,0,1,0,0|0,0,2]=4 627 B8R1.7 CC(O)C1CCNC1 Z1198184307 [0,1,0,1,0,0|1,0,1]=4 628 B8R1.7 CC(O)C1CCOC1 Z1138843471 [0,1,0,1,0,0|1,0,1]=4 629 B8R1.7 CC(O)[C@@H]1CCCN1 Z1203825201 [0,1,0,1,0,0|1,0,1]=4 630 B8R1.7 C[C@@H](O)C1CCOC1 Z1259149358 [0,1,0,1,0,0|1,0,1]=4 631 B8R1.7 C[C@H](N)C1=CC=CO1 Z1407007556 [0,1,0,1,0,0|0,0,2]=4 632 B8R1.7 C[C@H](O)C1CCOC1 Z1259149356 [0,1,0,1,0,0|1,0,1]=4 633 B8R1.7 O=C(O)C1C=CCN1 Z2902023058 [0,1,0,1,0,0|1,0,1]=4 634 B8R1.19 CC1(CNCC1O)C Z1925930473 [0,1,0,1,0,0|1,0,1]=4 635 B8R1.19 C[C@]1(CCC[C@H]1O)O Z3037315217 [0,1,0,1,0,0|0,0,2]=4 636 B8R1.35 CC(C)CCC1CO1 Z1495386123 [0,1,0,1,0,0|0,0,2]=4 637 B8R1.35 CC(C)OCC1CO1 Z147642824 [0,1,0,1,0,0|1,0,1]=4 638 B8R1.35 CC(C)OC[C@@H]1CO1 Z1993604786 [0,1,0,1,0,0|1,0,1]=4 639 B8R1.35 CC(C)OC[C@H]1CO1 Z1993604787 [0,1,0,1,0,0|1,0,1]=4 640 B8R1.72 CC1(C=CCCC1)O Z1691624687 [0,1,0,1,0,0|1,0,0]=3 641 B8R1.72 CC1(CC=CCC1)N Z2286631083 [0,1,0,1,0,0|1,0,0]=3 642 B8R1.72 CC1(CC=CCN1)C Z4198556901 [0,1,0,1,0,0|2,0,0]=4 643 B8R1.72 CC1(CCCCC1)O Z449370586 [0,1,0,1,0,0|0,0,2]=4 644 B8R1.72 CC1(CCNCC1)O Z1416200885 [0,1,0,1,0,0|1,0,1]=4 645 B8R1.72 CC1(CNCCO1)C Z374049350 [0,1,0,1,0,0|1,0,1]=4 646 B8R1.18 CC1CC(=O)NC1C Z1203733092 [0,1,0,1,0,0|2,0,0]=4 647 B8R1.37 CCOC(=O)[C@@H]1CO1 Z1255450225 [0,1,0,1,0,0|1,0,0]=3 648 B8R1.37 CCOC(=O)[C@H]1CO1 Z1255372614 [0,1,0,1,0,0|1,0,0]=3 649 B8R1.37 NC(CCO)C1CC1 Z1255523331 [0,1,0,1,0,0|0,0,2]=4 650 B8R1.66 NC1(CCC1)CCO Z1335657821 [0,1,0,1,0,0|0,0,2]=4 651 B8R2.34 C1=CC2CC1CN2 Z2677505952 [0,0,0,2,0,0|1,0,0]=3 652 B8R2.34 C1O[C@@H]2CN[C@H]1C2 Z1198157093 [0,0,0,2,0,0|1,0,1]=4 653 B8R2.55 C1CC2(CO1)CO2 Z1124555951 [0,0,0,2,0,0|1,0,1]=4 654 B8R2.55 C1CCC2(C1)CO2 Z1020680028 [0,0,0,2,0,0|0,0,2]=4 655 B8R2.2 C[C@]12CCC[C@H]1O2 Z4597543898 [0,0,0,2,0,0|0,0,2]=4 656 B8R2.25 C1=CCC2OC2C1 Z2375612263 [0,0,0,2,0,0|0,0,0]=2 657 B8R2.25 C1CC2OC2CO1 Z440605384 [0,0,0,2,0,0|1,0,1]=4 658 B8R2.25 C1CCC2OC2C1 Z239871664 [0,0,0,2,0,0|0,0,2]=4 659 B8R2.25 C1COC2CC2N1 Z2238336531 [0,0,0,2,0,0|1,0,1]=4 660 B8R2.1 C1CC(C1)C2CO2 Z1407119362 [0,0,0,2,0,0|0,0,2]=4 661 B8R2.24 C1CC1C[C@@H]2CO2 Z3271410540 [0,0,0,2,0,0|0,0,2]=4