0 B7R0.3 C/C=C/CC(N)CO Z1718361642 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.3 CC(CN)CCCO Z2234185702 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.3 CCC(C)NCCO Z335251014 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.3 CCC(N)CCOC Z818738108 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.3 CCC(O)CCCN Z1259162031 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.3 CCCCC(=O)CC Z406378226 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.3 CCCCC(C)NC Z446022384 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.3 CCCCC(N)CC Z3303777618 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.3 CCCCC(N)CN Z756921038 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.3 CCCCN(C)N=O Z1198149449 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.3 CCCNC(=O)CC Z33030426 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.3 CCNCC(C)C#N Z235583744 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.3 CCNCC(C)CC Z335456758 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.3 CCNCC(O)CC Z600449680 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.3 CCOCC(O)CN Z271097110 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.3 CCOCC(O)CO Z1178483452 [0,0,0,0,0,0|1,0,0]=1 16 B7R0.3 CCSCC(C)NC Z1238713281 [0,0,0,0,0,0|4,0,0]=4 17 B7R0.3 COCCC(C)CN Z879061310 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.3 NCCCC(=O)NO Z3488307998 [0,0,0,0,0,0|2,0,2]=4 19 B7R0.3 O=C(CO)NCCO Z1203732626 [0,0,0,0,0,0|2,0,2]=4 20 B6R0.1 C#CCC(O)CN Z2491498074 [1,0,0,0,0,0|1,0,2]=4 21 B6R0.1 C=CCC(N)CO Z1815149150 [1,0,0,0,0,0|1,0,2]=4 22 B6R0.1 C=CCC(O)CC Z808662120 [1,0,0,0,0,0|1,0,2]=4 23 B6R0.1 CC(CN)CCO Z1203581915 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.1 CC(CO)CCN Z5410631465 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.1 CCC(C)CNC Z1266854907 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.1 CCC(N)CCO Z1258578227 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.1 CCC(N)COC Z825742260 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.1 CCC(O)CCN Z406342052 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.1 CCC(O)CCO Z1198157972 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.1 CCCC(=O)CN Z1203579017 [1,0,0,0,0,0|1,0,2]=4 31 B6R0.1 CCCC(=O)NO Z59181937 [1,0,0,0,0,0|1,0,2]=4 32 B6R0.1 CCCC(C)C#N Z415654768 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.1 CCCC(C)NC Z394693580 [1,0,0,0,0,0|3,0,0]=4 34 B6R0.1 CCCC(N)C#N Z398513448 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.1 CCCC(N)CC Z1642389626 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.1 CCCC(N)CN Z425861040 [1,0,0,0,0,0|2,0,0]=3 37 B6R0.1 CCCC(O)CN Z419084742 [1,0,0,0,0,0|1,0,0]=2 38 B6R0.1 CCNC(=O)CO Z431952024 [1,0,0,0,0,0|1,0,2]=4 39 B6R0.1 CCNC(C)CC Z2509351098 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.1 CCOC(=O)CO Z385458066 [1,0,0,0,0,0|1,0,2]=4 41 B6R0.1 CCOC(C)CN Z844631802 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.1 CNC[C@H](O)CO Z600533638 [1,0,0,0,0,0|1,0,0]=2 43 B6R0.1 COCC(C)CO Z1192375999 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.1 COCC(N)CN Z1203580237 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.1 COCC(N)CO Z1945984156 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.1 COCC(O)CN Z271097108 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.1 CSCC(C)CN Z732208434 [1,0,0,0,0,0|3,0,0]=4 48 B6R0.1 CSCC(C)CO Z1270310211 [1,0,0,0,0,0|2,0,0]=3 49 B6R0.1 CSCC(O)CO Z1126770422 [1,0,0,0,0,0|1,0,0]=2 50 B6R0.1 NCC[C@H](F)CN Z4607150940 [1,0,0,0,0,0|3,0,0]=4 51 B6R0.4 C#CCCC(C)O Z854048672 [1,0,0,0,0,0|0,0,2]=3 52 B6R0.4 C=CCCC(C)N Z3681295487 [1,0,0,0,0,0|1,0,2]=4 53 B6R0.4 CC#CCC(C)N Z975788700 [1,0,0,0,0,0|1,0,2]=4 54 B6R0.4 CC(C)CCCN Z992716898 [1,0,0,0,0,0|2,0,0]=3 55 B6R0.4 CC(C)NCCN Z3375885739 [1,0,0,0,0,0|3,0,0]=4 56 B6R0.4 CC(C)NCCO Z137800940 [1,0,0,0,0,0|3,0,0]=4 57 B6R0.4 CC(C)OCCN Z1688198421 [1,0,0,0,0,0|3,0,0]=4 58 B6R0.4 CC(C)OCCO Z104478444 [1,0,0,0,0,0|3,0,0]=4 59 B6R0.4 CC(C)SCCN Z2092369402 [1,0,0,0,0,0|3,0,0]=4 60 B6R0.4 CC(N)CCCN Z2230911100 [1,0,0,0,0,0|2,0,0]=3 61 B6R0.4 CC(N)CCCO Z1203578676 [1,0,0,0,0,0|2,0,0]=3 62 B6R0.4 CC(O)CCCN Z1198178891 [1,0,0,0,0,0|1,0,0]=2 63 B6R0.4 CCCCB(O)O Z1147227739 [1,0,0,0,0,0|1,0,0]=2 64 B6R0.4 CCCCC(=N)N Z1723418909 [1,0,0,0,0,0|2,0,1]=4 65 B6R0.4 CCCCC(=O)N Z104476278 [1,0,0,0,0,0|1,0,2]=4 66 B6R0.4 CCCCC(=O)O Z104473312 [1,0,0,0,0,0|0,0,2]=3 67 B6R0.4 CCCCC(C)N Z3300506318 [1,0,0,0,0,0|1,0,0]=2 68 B6R0.4 CCCNC(=O)C Z33030314 [1,0,0,0,0,0|1,0,2]=4 69 B6R0.4 CCNCC(=O)O Z744593094 [1,0,0,0,0,0|1,0,2]=4 70 B6R0.4 CCNCC(C)C Z380844664 [1,0,0,0,0,0|2,0,0]=3 71 B6R0.4 CCNCC(C)O Z138692768 [1,0,0,0,0,0|1,0,0]=2 72 B6R0.4 CCNCC(F)F Z1691545150 [1,0,0,0,0,0|3,0,0]=4 73 B6R0.4 CCOCC(=O)O Z104495232 [1,0,0,0,0,0|1,0,2]=4 74 B6R0.4 CCOCC(C)N Z839575202 [1,0,0,0,0,0|2,0,0]=3 75 B6R0.4 CCSCC(C)N Z1203641186 [1,0,0,0,0,0|2,0,0]=3 76 B6R0.4 CNCCC(=O)C Z1536943318 [1,0,0,0,0,0|1,0,2]=4 77 B6R0.4 CNCCC(C)C Z607822512 [1,0,0,0,0,0|2,0,0]=3 78 B6R0.4 CNCCC(C)O Z1203731868 [1,0,0,0,0,0|1,0,0]=2 79 B6R0.4 CNCCN(C)C Z138123106 [1,0,0,0,0,0|3,0,0]=4 80 B6R0.4 COCCC(=O)C Z362119682 [1,0,0,0,0,0|1,0,2]=4 81 B6R0.4 COCCC(=O)O Z285184634 [1,0,0,0,0,0|1,0,2]=4 82 B6R0.4 COCCC(C)N Z361881180 [1,0,0,0,0,0|2,0,0]=3 83 B6R0.4 COCCC(C)O Z818738042 [1,0,0,0,0,0|1,0,0]=2 84 B6R0.4 COCCN(C)C Z5121096537 [1,0,0,0,0,0|3,0,0]=4 85 B6R0.4 CSCCC(=O)O Z54719251 [1,0,0,0,0,0|1,0,2]=4 86 B6R0.4 NCCCC(=O)O Z104475620 [1,0,0,0,0,0|1,0,2]=4 87 B6R0.4 NCCCC(F)F Z1198165810 [1,0,0,0,0,0|3,0,0]=4 88 B6R0.4 NCCCS(=O)O Z1203579399 [1,0,0,0,0,0|2,0,1]=4 89 B6R0.4 O=C(O)CCCS Z147642510 [1,0,0,0,0,0|1,0,2]=4 90 B6R0.6 C#CCCCCN Z1431002697 [1,0,0,0,0,0|1,0,2]=4 91 B6R0.6 C#CCNCCC Z815264308 [1,0,0,0,0,0|2,0,1]=4 92 B6R0.6 C=CCCCCN Z1198160046 [1,0,0,0,0,0|1,0,2]=4 93 B6R0.6 C=CCNCCO Z137800938 [1,0,0,0,0,0|1,0,2]=4 94 B6R0.6 CCC#CCCN Z1203585246 [1,0,0,0,0,0|1,0,2]=4 95 B6R0.6 CCCCCCO Z104473568 [1,0,0,0,0,0|0,0,0]=1 96 B6R0.6 CCCCN=C=S Z104473876 [1,0,0,0,0,0|1,1,1]=4 97 B6R0.6 CCCNCC#N Z235653524 [1,0,0,0,0,0|2,0,1]=4 98 B6R0.6 CCCOCCN Z4449042604 [1,0,0,0,0,0|2,0,0]=3 99 B6R0.6 CCNCCCF Z1203824341 [1,0,0,0,0,0|2,0,0]=3 100 B6R0.6 CCNCCCO Z138139914 [1,0,0,0,0,0|1,0,0]=2 101 B6R0.6 CCNCCSC Z2412193591 [1,0,0,0,0,0|3,0,0]=4 102 B6R0.6 CCOCCCO Z1080358490 [1,0,0,0,0,0|1,0,0]=2 103 B6R0.6 CNCCCCN Z2939606540 [1,0,0,0,0,0|2,0,0]=3 104 B6R0.6 CNCCCCO Z839096662 [1,0,0,0,0,0|1,0,0]=2 105 B6R0.6 CNCCCOC Z137847932 [1,0,0,0,0,0|3,0,0]=4 106 B6R0.6 CNCCCSC Z102766932 [1,0,0,0,0,0|3,0,0]=4 107 B6R0.6 COCCCC#N Z295205400 [1,0,0,0,0,0|2,0,1]=4 108 B6R0.6 COCCCCO Z431605254 [1,0,0,0,0,0|1,0,0]=2 109 B6R0.6 CONCCCN Z2492414217 [1,0,0,0,0,0|3,0,0]=4 110 B6R0.6 ClCCNCCCl Z57388616 [1,0,0,0,0,0|3,0,0]=4 111 B6R0.6 FCCNCCF Z4880681336 [1,0,0,0,0,0|3,0,0]=4 112 B6R0.6 N#CCCCCN Z823279224 [1,0,0,0,0,0|2,0,1]=4 113 B6R0.6 N#CCCCCO Z431952150 [1,0,0,0,0,0|1,0,1]=3 114 B6R0.6 NCC#CCCO Z1203639371 [1,0,0,0,0,0|1,0,2]=4 115 B6R0.6 NCCC#CCO Z4947584692 [1,0,0,0,0,0|1,0,2]=4 116 B6R0.6 NCCCCCF Z3524160733 [1,0,0,0,0,0|2,0,0]=3 117 B6R0.6 NCCCCCN Z951173830 [1,0,0,0,0,0|2,0,0]=3 118 B6R0.6 NCCNCCN Z104475186 [1,0,0,0,0,0|3,0,0]=4 119 B6R0.6 OCCNCCO Z104475196 [1,0,0,0,0,0|2,0,0]=3 120 B8R0.1 C#CCC(N)CCOC Z969112102 [0,1,0,0,0,0|3,0,0]=4 121 B8R0.1 CNCCN(C)CCO Z2526438856 [0,1,0,0,0,0|3,0,0]=4 122 B8R0.1 COCCC(=O)COC Z992968820 [0,1,0,0,0,0|1,0,2]=4 123 B8R0.3 CCCC(C)C(=O)CC Z1138187109 [0,1,0,0,0,0|1,0,2]=4 124 B8R0.3 CCCC(C)C(N)CO Z2379035176 [0,1,0,0,0,0|1,0,0]=2 125 B8R0.3 CCCC(N)C(=O)NO Z1184862965 [0,1,0,0,0,0|1,0,2]=4 126 B8R0.3 CCOC(=O)C(C)CO Z852748566 [0,1,0,0,0,0|2,0,1]=4 127 B8R0.6 CC(CO)CSCCO Z1270309408 [0,1,0,0,0,0|2,0,0]=3 128 B8R0.6 CCCCCC(=O)NO Z59181978 [0,1,0,0,0,0|1,0,2]=4 129 B8R0.6 CCCCNC(=O)CCl Z56853747 [0,1,0,0,0,0|1,0,2]=4 130 B8R0.6 CCCCOC(=O)CN Z1266823221 [0,1,0,0,0,0|1,0,2]=4 131 B8R0.6 CCSCCC(C)NC Z1238713350 [0,1,0,0,0,0|3,0,0]=4 132 B8R0.8 CCCCC(C)C(=O)C Z727719632 [0,1,0,0,0,0|1,0,2]=4 133 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,1,0,0,0,0|1,0,1]=3 134 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,1,0,0,0,0|1,0,1]=3 135 B8R0.8 CCCCC(N)C(C)O Z2453175125 [0,1,0,0,0,0|1,0,0]=2 136 B8R0.8 CCCCC(O)C(=O)O Z803065156 [0,1,0,0,0,0|0,0,1]=2 137 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,1,0,0,0,0|1,0,1]=3 138 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,1,0,0,0,0|1,0,1]=3 139 B8R0.8 CCOCC(C)C(=O)O Z431541098 [0,1,0,0,0,0|2,0,1]=4 140 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [0,1,0,0,0,0|2,0,1]=4 141 B8R0.8 COCCC(C)C(=O)O Z756390554 [0,1,0,0,0,0|2,0,1]=4 142 B8R0.8 COCCC(N)C(=O)O Z317025018 [0,1,0,0,0,0|2,0,1]=4 143 B8R0.8 COCCC(N)C(C)C Z4913680141 [0,1,0,0,0,0|3,0,0]=4 144 B8R0.8 COCCC(O)C(C)C Z818738034 [0,1,0,0,0,0|2,0,0]=3 145 B8R0.8 CSCCC(N)C(=O)O Z57127440 [0,1,0,0,0,0|2,0,1]=4 146 B8R0.8 CSCCC(O)C(=O)O Z788000926 [0,1,0,0,0,0|1,0,1]=3 147 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [0,1,0,0,0,0|2,0,1]=4 148 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [0,1,0,0,0,0|2,0,1]=4 149 B8R0.8 NCCCC(N)C(=O)O Z104476736 [0,1,0,0,0,0|2,0,1]=4 150 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [0,1,0,0,0,0|2,0,1]=4 151 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [0,1,0,0,0,0|2,0,1]=4 152 B8R0.8 O=C([O-])C(O)CCCO Z2510259022 [0,1,0,0,0,0|1,0,2]=4 153 B8R0.9 CC(C)CC/C(=N/O)/N Z285132796 [0,1,0,0,0,0|2,0,1]=4 154 B8R0.9 CC(C)CCC(=O)NO Z59183904 [0,1,0,0,0,0|1,0,2]=4 155 B8R0.9 CC(C)CCC(N)CO Z1198179431 [0,1,0,0,0,0|1,0,0]=2 156 B8R0.9 CC(C)CCC(O)CO Z1617994519 [0,1,0,0,0,0|0,0,0]=1 157 B8R0.9 CC(C)COC(C)CO Z1896289316 [0,1,0,0,0,0|2,0,0]=3 158 B8R0.9 CC(C)NCC(O)CO Z385465736 [0,1,0,0,0,0|1,0,0]=2 159 B8R0.9 CC(O)CNC(C)CO Z600449192 [0,1,0,0,0,0|2,0,0]=3 160 B8R0.9 CCC(C)CCC(=O)C Z955111260 [0,1,0,0,0,0|2,0,1]=4 161 B8R0.9 CCC(O)CCC(C)C Z838962512 [0,1,0,0,0,0|1,0,0]=2 162 B8R0.9 CNC(C)CCC(C)C Z5023051600 [0,1,0,0,0,0|3,0,0]=4 163 B8R0.11 CCC(CC)CCCN Z4958827133 [0,1,0,0,0,0|3,0,0]=4 164 B8R0.11 CCC(CC)CCCO Z1198265454 [0,1,0,0,0,0|3,0,0]=4 165 B8R0.11 CCCCN(CC)N=O Z1198147487 [0,1,0,0,0,0|2,0,1]=4 166 B8R0.11 CCNCC(CC)CC Z90513251 [0,1,0,0,0,0|3,0,0]=4 167 B8R0.11 COC(CN)CCSC Z4918222120 [0,1,0,0,0,0|2,0,0]=3 168 B8R0.19 CC(CO)CC(C)CO Z1509057634 [0,1,0,0,0,0|2,0,0]=3 169 B8R0.19 CC(CO)OC(C)CO Z1198222881 [0,1,0,0,0,0|3,0,0]=4 170 B8R0.19 CCC(C)CC(C)NC Z5008996647 [0,1,0,0,0,0|3,0,0]=4 171 B8R0.19 CCC(C)CC(N)CO Z1198179422 [0,1,0,0,0,0|1,0,0]=2 172 B8R0.19 CCC(N)CC(C)CO Z1270456881 [0,1,0,0,0,0|1,0,0]=2 173 B8R0.25 CC(C)(CN)CCCO Z1251362804 [0,1,0,0,0,0|3,0,0]=4 174 B8R0.25 CC(C)(CO)CCC#N Z1198321316 [0,1,0,0,0,0|2,0,1]=4 175 B8R0.25 CC(C)(CO)CCCN Z1203160200 [0,1,0,0,0,0|2,0,0]=3 176 B8R0.25 CC(C)(CO)NCCO Z425728002 [0,1,0,0,0,0|3,0,0]=4 177 B8R0.25 CCCCC(C)(N)CO Z2379804923 [0,1,0,0,0,0|1,0,0]=2 178 B8R0.25 CCNCC(C)(C)CO Z1203746234 [0,1,0,0,0,0|2,0,0]=3 179 B8R0.25 CCOCC(C)(C)CN Z1335969590 [0,1,0,0,0,0|3,0,0]=4 180 B8R0.25 COCCC(C)(O)CN Z879074216 [0,1,0,0,0,0|2,0,0]=3 181 B8R1.1 CC1CCC(C1)C=O Z1268606446 [0,0,0,1,0,0|1,0,2]=4 182 B8R1.1 CC1CCC(O1)C#N Z1438313776 [0,0,0,1,0,0|1,0,1]=3 183 B8R1.1 CC1CCC(O1)CN Z1438307598 [0,0,0,1,0,0|1,0,0]=2 184 B8R1.1 CCC1CC(CN1)C Z1203749385 [0,0,0,1,0,0|2,0,0]=3 185 B8R1.1 CCC1CCC(N1)C Z1582263727 [0,0,0,1,0,0|2,0,0]=3 186 B8R1.1 CCN1CCC(C1)N Z415647776 [0,0,0,1,0,0|3,0,0]=4 187 B8R1.1 CN1CCC(C1)CN Z317026942 [0,0,0,1,0,0|3,0,0]=4 188 B8R1.1 CN1CCC(C1)CO Z976730728 [0,0,0,1,0,0|2,0,0]=3 189 B8R1.1 CO[C@@H]1CC[C@H](C1)N Z3282728045 [0,0,0,1,0,0|3,0,0]=4 190 B8R1.1 CSC1CCC(C1)N Z1245790495 [0,0,0,1,0,0|3,0,0]=4 191 B8R1.1 N#CC1CCC(C1)O Z1258995690 [0,0,0,1,0,0|2,0,1]=4 192 B8R1.1 NCC1CCC(=O)O1 Z1262632907 [0,0,0,1,0,0|2,0,1]=4 193 B8R1.1 NCC1CCC(C1)F Z3074473433 [0,0,0,1,0,0|3,0,0]=4 194 B8R1.1 O=C1CCC(N1)CO Z235344363 [0,0,0,1,0,0|2,0,1]=4 195 B8R1.1 O=C1CC[C@H](N1)CO Z235344345 [0,0,0,1,0,0|2,0,1]=4 196 B8R1.1 OCC1CC(CN1)F Z1753033006 [0,0,0,1,0,0|3,0,0]=4 197 B8R1.2 BrCC1CCCCO1 Z104484248 [0,0,0,1,0,0|1,0,0]=2 198 B8R1.2 C#CC1CCCCC1 Z1255457380 [0,0,0,1,0,0|2,0,1]=4 199 B8R1.2 C#CC1CCCCN1 Z2940715353 [0,0,0,1,0,0|2,0,1]=4 200 B8R1.2 C=CC1CCCCN1 Z2142036752 [0,0,0,1,0,0|2,0,1]=4 201 B8R1.2 CCC1CCCCN1 Z839028612 [0,0,0,1,0,0|2,0,0]=3 202 B8R1.2 CCC1CCCNC1 Z381019246 [0,0,0,1,0,0|3,0,0]=4 203 B8R1.2 CCC1CCNCC1 Z1198394219 [0,0,0,1,0,0|3,0,0]=4 204 B8R1.2 CCC1CNCCN1 Z3234914816 [0,0,0,1,0,0|3,0,0]=4 205 B8R1.2 CCC1CNCCO1 Z283724556 [0,0,0,1,0,0|2,0,0]=3 206 B8R1.2 CCC1CNCCS1 Z1203735378 [0,0,0,1,0,0|2,1,0]=4 207 B8R1.2 CCC1COCCN1 Z405749950 [0,0,0,1,0,0|3,0,0]=4 208 B8R1.2 COC1CNCCO1 Z1203748232 [0,0,0,1,0,0|3,0,0]=4 209 B8R1.2 ClCC1CCOCO1 Z56932992 [0,0,0,1,0,0|2,0,0]=3 210 B8R1.2 ClCC1CNCCO1 Z1198749808 [0,0,0,1,0,0|2,0,0]=3 211 B8R1.2 FCC1CCCNC1 Z2768770399 [0,0,0,1,0,0|3,0,0]=4 212 B8R1.2 FCC1CNCCO1 Z1262569974 [0,0,0,1,0,0|2,0,0]=3 213 B8R1.2 N#CC1CCCCC1 Z210803886 [0,0,0,1,0,0|2,0,1]=4 214 B8R1.2 N#CC1CCCCN1 Z205012332 [0,0,0,1,0,0|2,0,1]=4 215 B8R1.2 N#CC1CCCCS1 Z1413800329 [0,0,0,1,0,0|1,1,1]=4 216 B8R1.2 N#CC1CNCCO1 Z1263820378 [0,0,0,1,0,0|2,0,1]=4 217 B8R1.2 N#CC1CSCCO1 Z1356110445 [0,0,0,1,0,0|2,0,1]=4 218 B8R1.2 NCC1=CCCCC1 Z2230911155 [0,0,0,1,0,0|2,0,1]=4 219 B8R1.2 NCC1CCCCC1 Z235354645 [0,0,0,1,0,0|2,0,0]=3 220 B8R1.2 NCC1CCCCO1 Z839575544 [0,0,0,1,0,0|1,0,0]=2 221 B8R1.2 NCC1CCCCS1 Z1318217220 [0,0,0,1,0,0|1,1,0]=3 222 B8R1.2 NCC1CCOCC1 Z440605454 [0,0,0,1,0,0|3,0,0]=4 223 B8R1.2 NCC1CCOCO1 Z1431005851 [0,0,0,1,0,0|2,0,0]=3 224 B8R1.2 NCC1COCCN1 Z2768165249 [0,0,0,1,0,0|3,0,0]=4 225 B8R1.2 NCC1CSCCN1 Z1203585142 [0,0,0,1,0,0|3,0,0]=4 226 B8R1.2 NCC1CSCCS1 Z1198167851 [0,0,0,1,0,0|2,1,0]=4 227 B8R1.2 NC[C@H]1CCCNC1 Z2686452674 [0,0,0,1,0,0|3,0,0]=4 228 B8R1.2 NOC1CCCCO1 Z968560364 [0,0,0,1,0,0|2,0,0]=3 229 B8R1.2 O=CC1CCCCC1 Z104478974 [0,0,0,1,0,0|1,0,2]=4 230 B8R1.2 O=CC1CCCCO1 Z1079442734 [0,0,0,1,0,0|0,0,2]=3 231 B8R1.2 OCC1=CCNCC1 Z2310702179 [0,0,0,1,0,0|2,0,1]=4 232 B8R1.2 OCC1=COCCO1 Z1101443027 [0,0,0,1,0,0|1,0,2]=4 233 B8R1.2 OCC1C=CCCN1 Z4430264645 [0,0,0,1,0,0|1,0,2]=4 234 B8R1.2 OCC1CC=CCC1 Z104476102 [0,0,0,1,0,0|1,0,2]=4 235 B8R1.2 OCC1CCCCC1 Z104503428 [0,0,0,1,0,0|1,0,0]=2 236 B8R1.2 OCC1CCCCN1 Z104476610 [0,0,0,1,0,0|1,0,0]=2 237 B8R1.2 OCC1CCCCO1 Z104479808 [0,0,0,1,0,0|0,0,0]=1 238 B8R1.2 OCC1CCCNC1 Z104479614 [0,0,0,1,0,0|2,0,0]=3 239 B8R1.2 OCC1CCCOC1 Z445213352 [0,0,0,1,0,0|2,0,0]=3 240 B8R1.2 OCC1CCNCC1 Z380864362 [0,0,0,1,0,0|2,0,0]=3 241 B8R1.2 OCC1CCOCC1 Z979753218 [0,0,0,1,0,0|2,0,0]=3 242 B8R1.2 OCC1CCSCC1 Z1198266791 [0,0,0,1,0,0|2,0,0]=3 243 B8R1.2 OCC1CNCCO1 Z1235945999 [0,0,0,1,0,0|1,0,0]=2 244 B8R1.2 OCC1COCCN1 Z2513335525 [0,0,0,1,0,0|2,0,0]=3 245 B8R1.2 OCC1COCCO1 Z1020816972 [0,0,0,1,0,0|1,0,0]=2 246 B8R1.2 OCC1CSCCN1 Z1203733048 [0,0,0,1,0,0|2,0,0]=3 247 B8R1.2 OC[C@H]1CCCCN1 Z1203731003 [0,0,0,1,0,0|1,0,0]=2 248 B8R1.2 ON=C1CCCCC1 Z49568468 [0,0,0,1,0,0|2,0,1]=4 249 B8R1.3 CC1=CCC(CC1)N Z3857655203 [0,0,0,1,0,0|2,0,1]=4 250 B8R1.3 CC1CCC(=O)CC1 Z57073963 [0,0,0,1,0,0|1,0,2]=4 251 B8R1.3 CC1CCC(CC1)O Z104476106 [0,0,0,1,0,0|1,0,0]=2 252 B8R1.3 CC1CCC(CN1)N Z3544167688 [0,0,0,1,0,0|2,0,0]=3 253 B8R1.3 CC1CCC(CN1)O Z2350906968 [0,0,0,1,0,0|1,0,0]=2 254 B8R1.3 CC1CCC(CO1)O Z1898581838 [0,0,0,1,0,0|0,0,0]=1 255 B8R1.3 CC1CNC(CN1)C Z1255523274 [0,0,0,1,0,0|3,0,0]=4 256 B8R1.3 CC1COC(CN1)C Z327218388 [0,0,0,1,0,0|2,0,0]=3 257 B8R1.3 CN1CCC(CC1)N Z89283296 [0,0,0,1,0,0|3,0,0]=4 258 B8R1.3 C[C@@H]1CC[C@@H](CN1)O Z2309899176 [0,0,0,1,0,0|1,0,0]=2 259 B8R1.3 C[C@@H]1CC[C@H](CN1)O Z2327179252 [0,0,0,1,0,0|1,0,0]=2 260 B8R1.3 C[C@H]1CC[C@@H](CC1)N Z1150306734 [0,0,0,1,0,0|2,0,0]=3 261 B8R1.3 NC1CCC(CC1)N Z104477550 [0,0,0,1,0,0|3,0,0]=4 262 B8R1.3 OC1CCC(CC1)O Z1178486717 [0,0,0,1,0,0|2,0,0]=3 263 B8R1.5 CC1CCCCC1=O Z104477192 [0,0,0,1,0,0|1,0,2]=4 264 B8R1.5 CC1CCCCC1O Z104478402 [0,0,0,1,0,0|1,0,0]=2 265 B8R1.5 CC1CCCNC1C Z959345762 [0,0,0,1,0,0|3,0,0]=4 266 B8R1.5 CC1CCNCC1N Z4351244628 [0,0,0,1,0,0|3,0,0]=4 267 B8R1.5 CC1CCOCC1N Z3035821495 [0,0,0,1,0,0|3,0,0]=4 268 B8R1.5 CC1CNCCC1O Z1742055068 [0,0,0,1,0,0|2,0,0]=3 269 B8R1.5 CC1COCCC1N Z1868316869 [0,0,0,1,0,0|3,0,0]=4 270 B8R1.5 CC1COCCC1O Z1255390393 [0,0,0,1,0,0|2,0,0]=3 271 B8R1.5 CC1NCCCC1O Z2235409289 [0,0,0,1,0,0|2,0,0]=3 272 B8R1.5 C[C@@H]1CCCC[C@H]1O Z1896168809 [0,0,0,1,0,0|1,0,0]=2 273 B8R1.5 C[C@@H]1CCNC[C@@H]1O Z2307368538 [0,0,0,1,0,0|2,0,0]=3 274 B8R1.5 C[C@@H]1NCCC[C@@H]1N Z5041247026 [0,0,0,1,0,0|3,0,0]=4 275 B8R1.5 C[C@@H]1NCCC[C@@H]1O Z2568757708 [0,0,0,1,0,0|2,0,0]=3 276 B8R1.5 C[C@H]1CCCC[C@@H]1O Z1255486326 [0,0,0,1,0,0|1,0,0]=2 277 B8R1.5 C[C@H]1CCCC[C@H]1N Z3244401660 [0,0,0,1,0,0|2,0,0]=3 278 B8R1.5 NC1CCCCC1=O Z2186882796 [0,0,0,1,0,0|1,0,2]=4 279 B8R1.5 NC1CCCCC1N Z104474510 [0,0,0,1,0,0|2,0,0]=3 280 B8R1.5 NC1CCOCC1O Z2688974552 [0,0,0,1,0,0|2,0,0]=3 281 B8R1.5 N[C@@H]1CCCC[C@@H]1F Z2724313717 [0,0,0,1,0,0|2,0,0]=3 282 B8R1.5 N[C@@H]1CCCC[C@@H]1O Z2235399143 [0,0,0,1,0,0|1,0,0]=2 283 B8R1.5 N[C@@H]1COCC[C@H]1N Z4745609917 [0,0,0,1,0,0|3,0,0]=4 284 B8R1.5 N[C@@H]1COCC[C@H]1O Z2309916421 [0,0,0,1,0,0|2,0,0]=3 285 B8R1.5 N[C@H]1CCCC[C@@H]1N Z1147137780 [0,0,0,1,0,0|2,0,0]=3 286 B8R1.5 N[C@H]1CCCC[C@H]1N Z1203577984 [0,0,0,1,0,0|2,0,0]=3 287 B8R1.5 O=C1CCCCC1Cl Z94598693 [0,0,0,1,0,0|1,0,2]=4 288 B8R1.5 OC1CCCCC1O Z600453486 [0,0,0,1,0,0|0,0,0]=1 289 B8R1.5 OC1CCNCC1F Z1416168950 [0,0,0,1,0,0|2,0,0]=3 290 B8R1.5 OC1NCCCC1F Z3995268169 [0,0,0,1,0,0|2,0,0]=3 291 B8R1.5 O[C@@H]1CCCC[C@H]1O Z2240998867 [0,0,0,1,0,0|0,0,0]=1 292 B8R1.5 O[C@@H]1CNCC[C@H]1F Z2307343627 [0,0,0,1,0,0|2,0,0]=3 293 B8R1.5 O[C@H]1CONC[C@H]1O Z3073361071 [0,0,0,1,0,0|2,0,0]=3 294 B8R1.9 C[C@@H]1C[C@H]1CCCN Z4081421787 [0,0,0,1,0,0|3,0,0]=4 295 B8R1.10 CCNCC1CCC1 Z1947443776 [0,0,0,1,0,0|3,0,0]=4 296 B8R1.10 NCCCC1CCC1 Z2522552643 [0,0,0,1,0,0|3,0,0]=4 297 B8R1.10 O=CCCC1CCO1 Z2327124310 [0,0,0,1,0,0|2,0,1]=4 298 B8R1.17 CCC[C@@H]1C[C@H]1CN Z3247491743 [0,0,0,1,0,0|2,0,0]=3 299 B8R1.22 CC1CCCCNC1 Z1723849152 [0,0,0,1,0,0|2,0,0]=3 300 B8R1.22 CC1CCCNCC1 Z425362298 [0,0,0,1,0,0|3,0,0]=4 301 B8R1.22 CC1CNCCCN1 Z1203732447 [0,0,0,1,0,0|3,0,0]=4 302 B8R1.22 CC1CNCCCO1 Z425722880 [0,0,0,1,0,0|3,0,0]=4 303 B8R1.22 CC1CNCCOC1 Z1216819166 [0,0,0,1,0,0|2,0,0]=3 304 B8R1.22 CC1CNCCSC1 Z1270496770 [0,0,0,1,0,0|2,1,0]=4 305 B8R1.22 CC1COCCCN1 Z1216819161 [0,0,0,1,0,0|2,0,0]=3 306 B8R1.22 CC1CSCCCN1 Z2895198847 [0,0,0,1,0,0|2,1,0]=4 307 B8R1.22 FC1CCCNCC1 Z1255416656 [0,0,0,1,0,0|3,0,0]=4 308 B8R1.22 FC1CNCCOC1 Z4924614783 [0,0,0,1,0,0|2,0,0]=3 309 B8R1.22 NC1CCCCCC1 Z104477488 [0,0,0,1,0,0|2,0,0]=3 310 B8R1.22 NC1CCCSCC1 Z3102941972 [0,0,0,1,0,0|3,0,0]=4 311 B8R1.22 NC1COCCOC1 Z1463350443 [0,0,0,1,0,0|2,0,0]=3 312 B8R1.22 NC1CSCCSC1 Z4628238517 [0,0,0,1,0,0|2,1,0]=4 313 B8R1.22 O=C1CCCCCC1 Z104473100 [0,0,0,1,0,0|1,0,2]=4 314 B8R1.22 O=C1COCCCN1 Z1203733065 [0,0,0,1,0,0|1,0,2]=4 315 B8R1.22 OC1CCCNCC1 Z1198309797 [0,0,0,1,0,0|2,0,0]=3 316 B8R1.22 OC1CNCCOC1 Z2234631219 [0,0,0,1,0,0|1,0,0]=2 317 B8R1.38 CC(C=O)C1CCC1 Z1511780485 [0,0,0,1,0,0|1,0,2]=4 318 B8R1.38 CC(CN)C1CCC1 Z4670691728 [0,0,0,1,0,0|2,0,0]=3 319 B8R1.38 CC(CO)C1CCC1 Z1717769985 [0,0,0,1,0,0|1,0,0]=2 320 B8R1.38 CCC(=O)C1CCC1 Z1251352405 [0,0,0,1,0,0|1,0,2]=4 321 B8R1.38 CCC(N)C1CCC1 Z2941715980 [0,0,0,1,0,0|2,0,0]=3 322 B8R1.38 CCC(O)C1CCC1 Z1255407680 [0,0,0,1,0,0|1,0,0]=2 323 B8R1.38 NCC(=O)C1CCC1 Z2568737813 [0,0,0,1,0,0|1,0,2]=4 324 B8R1.38 NCC(N)C1CCC1 Z1925930579 [0,0,0,1,0,0|2,0,0]=3 325 B8R1.38 NCC(O)C1CCC1 Z2238624890 [0,0,0,1,0,0|1,0,0]=2 326 B8R1.38 O=C(CCl)C1CCC1 Z1238572148 [0,0,0,1,0,0|1,0,2]=4 327 B8R1.40 C#CC(N)CC1CC1 Z3302649438 [0,0,0,1,0,0|2,0,1]=4 328 B8R1.40 CNC(C)CC1CC1 Z3676142349 [0,0,0,1,0,0|3,0,0]=4 329 B8R1.40 NC(CO)CC1CC1 Z1198179456 [0,0,0,1,0,0|1,0,0]=2 330 B8R1.40 NCC(O)CC1CC1 Z2310701824 [0,0,0,1,0,0|1,0,0]=2 331 B8R1.40 O=C(CCl)CC1CC1 Z1386913809 [0,0,0,1,0,0|1,0,2]=4 332 B8R1.40 O=C(CO)NC1CC1 Z431952008 [0,0,0,1,0,0|1,0,2]=4 333 B8R1.41 CCCCC1(CC1)N Z2888996734 [0,0,0,1,0,0|2,0,0]=3 334 B8R1.41 COCCC1(CC1)N Z2310679165 [0,0,0,1,0,0|3,0,0]=4 335 B8R1.47 CCC1CC(C1)C=O Z3243131887 [0,0,0,1,0,0|1,0,2]=4 336 B8R1.47 CCC1CC(C1)CN Z4165836124 [0,0,0,1,0,0|2,0,0]=3 337 B8R1.47 CO[C@H]1C[C@@H](C1)CN Z2787245739 [0,0,0,1,0,0|3,0,0]=4 338 B8R1.47 CSC1CC(C1)CN Z4387307771 [0,0,0,1,0,0|3,0,0]=4 339 B8R1.47 CS[C@H]1C[C@@H](C1)CN Z4282599613 [0,0,0,1,0,0|3,0,0]=4 340 B8R1.47 CS[C@H]1C[C@H](C1)CN Z4433645218 [0,0,0,1,0,0|3,0,0]=4 341 B8R1.50 CC1CCC(C1N)C Z1357774290 [0,0,0,1,0,0|2,0,0]=3 342 B8R1.50 CC1CNC(C1C)C Z1203749866 [0,0,0,1,0,0|3,0,0]=4 343 B8R1.52 C#CC1(CCCC1)N Z2785867970 [0,0,0,1,0,0|2,0,1]=4 344 B8R1.52 C#CC1(CCCC1)O Z57953034 [0,0,0,1,0,0|1,0,1]=3 345 B8R1.52 C=CC1(CCCC1)N Z3042074267 [0,0,0,1,0,0|2,0,1]=4 346 B8R1.52 CC1(CCCC1)C=O Z1255466724 [0,0,0,1,0,0|1,0,2]=4 347 B8R1.52 CC1(CCCC1)CN Z56757289 [0,0,0,1,0,0|2,0,0]=3 348 B8R1.52 CC1(CCCC1)CO Z1255466752 [0,0,0,1,0,0|1,0,0]=2 349 B8R1.52 CC1(CCCO1)CN Z1198218662 [0,0,0,1,0,0|3,0,0]=4 350 B8R1.52 CC1(CCCO1)CO Z1389059207 [0,0,0,1,0,0|2,0,0]=3 351 B8R1.52 CC1(CCCS1)CN Z1268152236 [0,0,0,1,0,0|3,0,0]=4 352 B8R1.52 CC1(CCNC1)CN Z1993522731 [0,0,0,1,0,0|3,0,0]=4 353 B8R1.52 CC1(CCNC1)CO Z1270138787 [0,0,0,1,0,0|2,0,0]=3 354 B8R1.52 CC1(CCOC1)CN Z995185734 [0,0,0,1,0,0|3,0,0]=4 355 B8R1.52 CC1(CCOC1)CO Z1270138617 [0,0,0,1,0,0|2,0,0]=3 356 B8R1.52 CCC1(CCCC1)N Z2235330317 [0,0,0,1,0,0|2,0,0]=3 357 B8R1.52 CCC1(CCNC1)C Z979421246 [0,0,0,1,0,0|3,0,0]=4 358 B8R1.52 CCC1(CCNC1)O Z1742055042 [0,0,0,1,0,0|2,0,0]=3 359 B8R1.52 CCC1(CCOC1)N Z2010009859 [0,0,0,1,0,0|3,0,0]=4 360 B8R1.52 CNC1(CCCC1)C Z1895741267 [0,0,0,1,0,0|3,0,0]=4 361 B8R1.52 N#CC1(CCCC1)O Z419078448 [0,0,0,1,0,0|1,0,1]=3 362 B8R1.52 NC1(CCCC1)CO Z734150968 [0,0,0,1,0,0|1,0,0]=2 363 B8R1.52 NCC1(CCCC1)Cl Z1262684076 [0,0,0,1,0,0|2,0,0]=3 364 B8R1.52 NCC1(CCCC1)N Z1198107484 [0,0,0,1,0,0|2,0,0]=3 365 B8R1.52 NCC1(CCCC1)O Z330827814 [0,0,0,1,0,0|1,0,0]=2 366 B8R1.52 NCC1(CCOC1)F Z2830496127 [0,0,0,1,0,0|3,0,0]=4 367 B8R1.52 NCC1(CCOC1)O Z1124555593 [0,0,0,1,0,0|2,0,0]=3 368 B8R1.52 NCC1(CCSC1)O Z1333761731 [0,0,0,1,0,0|2,0,0]=3 369 B8R1.52 O=CC1(CCCC1)Br Z1511865834 [0,0,0,1,0,0|1,0,2]=4 370 B8R1.52 OCC1(CCCC1)O Z1258947137 [0,0,0,1,0,0|0,0,0]=1 371 B8R1.52 OCC1(CCOC1)O Z1537124515 [0,0,0,1,0,0|1,0,0]=2 372 B8R1.83 CC1CC1C(=O)CCl Z1386913500 [0,0,0,1,0,0|1,0,2]=4 373 B8R1.83 CCC(=O)C1CC1C Z1259336402 [0,0,0,1,0,0|1,0,2]=4 374 B5R0.1 C#CCC(C)O Z969111576 [2,0,0,0,0,0|0,0,2]=4 375 B5R0.1 CC(C)CCO Z104473558 [2,0,0,0,0,0|2,0,0]=4 376 B5R0.1 CC(N)CCO Z385458430 [2,0,0,0,0,0|2,0,0]=4 377 B5R0.1 CC(O)CC#N Z847151284 [2,0,0,0,0,0|1,0,1]=4 378 B5R0.1 CC(O)CCN Z802904114 [2,0,0,0,0,0|1,0,0]=3 379 B5R0.1 CC(O)CCO Z104473530 [2,0,0,0,0,0|1,0,0]=3 380 B5R0.1 CCCC(=O)O Z104495380 [2,0,0,0,0,0|0,0,2]=4 381 B5R0.1 CCCC(C)N Z2417819590 [2,0,0,0,0,0|1,0,0]=3 382 B5R0.1 CNCC(C)C Z951367674 [2,0,0,0,0,0|2,0,0]=4 383 B5R0.1 CNCC(C)N Z1413780485 [2,0,0,0,0,0|2,0,0]=4 384 B5R0.1 CNCC(C)O Z138692700 [2,0,0,0,0,0|1,0,0]=3 385 B5R0.1 COCC(C)O Z825742124 [2,0,0,0,0,0|1,0,0]=3 386 B5R0.1 COC[C@@H](C)N Z1270482298 [2,0,0,0,0,0|2,0,0]=4 387 B5R0.1 COC[C@H](C)N Z1270502316 [2,0,0,0,0,0|2,0,0]=4 388 B5R0.1 CSCC(C)O Z732208306 [2,0,0,0,0,0|1,0,0]=3 389 B5R0.1 C[C@@H](N)CCO Z1526453858 [2,0,0,0,0,0|2,0,0]=4 390 B5R0.1 C[C@@H](O)CCN Z1860991703 [2,0,0,0,0,0|1,0,0]=3 391 B5R0.2 CC#CCCO Z1033337288 [2,0,0,0,0,0|0,0,2]=4 392 B5R0.2 CCCCC=O Z104472992 [2,0,0,0,0,0|0,0,2]=4 393 B5R0.2 CCCCCN Z104472246 [2,0,0,0,0,0|1,0,0]=3 394 B5R0.2 CCCNCC Z138446288 [2,0,0,0,0,0|1,0,0]=3 395 B5R0.2 CCNCCF Z1198305484 [2,0,0,0,0,0|2,0,0]=4 396 B5R0.2 CCNCCO Z1258992395 [2,0,0,0,0,0|1,0,0]=3 397 B5R0.2 CCNOCC Z223690220 [2,0,0,0,0,0|2,0,0]=4 398 B5R0.2 CCOCCN Z271005962 [2,0,0,0,0,0|2,0,0]=4 399 B5R0.2 CCOCCO Z104473122 [2,0,0,0,0,0|1,0,0]=3 400 B5R0.2 CCSCCN Z3061111063 [2,0,0,0,0,0|2,0,0]=4 401 B5R0.2 CNCCCO Z104756980 [2,0,0,0,0,0|1,0,0]=3 402 B5R0.2 CNCCOC Z1259162131 [2,0,0,0,0,0|2,0,0]=4 403 B5R0.2 CNCCSC Z1398461959 [2,0,0,0,0,0|2,0,0]=4 404 B5R0.2 COCCCO Z431517702 [2,0,0,0,0,0|1,0,0]=3 405 B5R0.2 COCCOC Z104473014 [2,0,0,0,0,0|2,0,0]=4 406 B5R0.2 N#CCCCO Z385458622 [2,0,0,0,0,0|1,0,1]=4 407 B5R0.2 NCCCCF Z2177031126 [2,0,0,0,0,0|2,0,0]=4 408 B5R0.2 NCCCCN Z104472592 [2,0,0,0,0,0|2,0,0]=4 409 B5R0.3 CC(CN)CO Z406342068 [2,0,0,0,0,0|2,0,0]=4 410 B5R0.3 CC(CO)CS Z1262475362 [2,0,0,0,0,0|2,0,0]=4 411 B5R0.3 CCC(C)CN Z2350903977 [2,0,0,0,0,0|2,0,0]=4 412 B5R0.3 CCC(N)CN Z1263714131 [2,0,0,0,0,0|2,0,0]=4 413 B5R0.3 CCC(N)CO Z104474862 [2,0,0,0,0,0|1,0,0]=3 414 B5R0.3 CCC(O)C#N Z419078094 [2,0,0,0,0,0|1,0,1]=4 415 B5R0.3 CCC(O)CN Z419084746 [2,0,0,0,0,0|1,0,0]=3 416 B5R0.3 CCC(O)CO Z600450538 [2,0,0,0,0,0|0,0,0]=2 417 B5R0.3 CC[C@@H](N)CO Z1203162359 [2,0,0,0,0,0|1,0,0]=3 418 B5R0.3 CC[C@H](N)CO Z1203162358 [2,0,0,0,0,0|1,0,0]=3 419 B5R0.3 COC(C)CO Z1198150719 [2,0,0,0,0,0|2,0,0]=4 420 B5R0.3 CSC(C)CO Z1273053291 [2,0,0,0,0,0|2,0,0]=4 421 B5R0.3 NC(CO)CO Z1203577940 [2,0,0,0,0,0|2,0,0]=4 422 B5R0.3 NCC(O)CF Z2311274712 [2,0,0,0,0,0|2,0,0]=4 423 B5R0.3 OCC(O)CO Z104473548 [2,0,0,0,0,0|1,0,0]=3 424 B5R0.3 OCC(O)CS Z1255382958 [2,0,0,0,0,0|1,0,0]=3 425 B7R0.2 CC(C)CC(C)CO Z1198147790 [1,1,0,0,0,0|1,0,0]=3 426 B7R0.2 CC(C)CC(N)CN Z425861052 [1,1,0,0,0,0|2,0,0]=4 427 B7R0.2 CC(C)CC(N)CO Z734151210 [1,1,0,0,0,0|1,0,0]=3 428 B7R0.2 CC(C)CC(O)CN Z1259162114 [1,1,0,0,0,0|1,0,0]=3 429 B7R0.2 CC(CO)CC(F)F Z2285508033 [1,1,0,0,0,0|2,0,0]=4 430 B7R0.2 CC(O)CC(C)CN Z1245536559 [1,1,0,0,0,0|2,0,0]=4 431 B7R0.2 CCC(C)CC(C)N Z2472857681 [1,1,0,0,0,0|2,0,0]=4 432 B7R0.2 CN(C)CC(N)CO Z2092369044 [1,1,0,0,0,0|2,0,0]=4 433 B7R0.2 CN(C)CC(O)CN Z270894906 [1,1,0,0,0,0|2,0,0]=4 434 B7R0.5 CC(C)C(O)CCN Z1203588096 [1,1,0,0,0,0|2,0,0]=4 435 B7R0.5 CC(C)C(O)CCO Z1532770488 [1,1,0,0,0,0|2,0,0]=4 436 B7R0.5 CCCC(C)C(=O)O Z104477112 [1,1,0,0,0,0|1,0,1]=4 437 B7R0.5 CCCC(C)C(C)N Z2737299926 [1,1,0,0,0,0|2,0,0]=4 438 B7R0.5 CCCC(N)C(=O)O Z317024724 [1,1,0,0,0,0|1,0,1]=4 439 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [1,1,0,0,0,0|1,0,1]=4 440 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [1,1,0,0,0,0|1,0,1]=4 441 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [1,1,0,0,0,0|1,0,1]=4 442 B7R0.7 CCCC(C)CCN Z2768767726 [1,1,0,0,0,0|2,0,0]=4 443 B7R0.7 CCCC(C)CNC Z3214687920 [1,1,0,0,0,0|2,0,0]=4 444 B7R0.7 CCCC(O)CCO Z1198158209 [1,1,0,0,0,0|0,0,0]=2 445 B7R0.7 CCNC(C)COC Z1245537976 [1,1,0,0,0,0|2,0,0]=4 446 B7R0.7 CNCC(C)COC Z905006554 [1,1,0,0,0,0|2,0,0]=4 447 B7R0.7 CNCC(O)COC Z406679976 [1,1,0,0,0,0|1,0,0]=3 448 B7R0.7 COCC(N)CCO Z1238548168 [1,1,0,0,0,0|2,0,0]=4 449 B7R0.7 COCC(O)CCN Z1182310348 [1,1,0,0,0,0|1,0,0]=3 450 B7R0.7 NCCC(O)CCN Z4497194547 [1,1,0,0,0,0|2,0,0]=4 451 B7R0.10 CCC(C)C(N)CO Z1255523308 [1,1,0,0,0,0|1,0,0]=3 452 B7R0.10 CCC(C)C(O)CC Z1138194601 [1,1,0,0,0,0|1,0,0]=3 453 B7R0.10 CCC(C)C(O)CN Z802901690 [1,1,0,0,0,0|1,0,0]=3 454 B7R0.10 OC[C@H](O)[C@H](O)CO Z1203161930 [1,1,0,0,0,0|1,0,0]=3 455 B7R0.11 CC(C)(CO)CCN Z2234185673 [1,1,0,0,0,0|2,0,0]=4 456 B7R0.11 CC(O)(CO)CCO Z1238572721 [1,1,0,0,0,0|1,0,0]=3 457 B7R0.11 CCCC(C)(N)CO Z734150846 [1,1,0,0,0,0|1,0,0]=3 458 B7R0.11 CCNC(C)(C)CO Z286489718 [1,1,0,0,0,0|2,0,0]=4 459 B7R0.11 CCOC(C)(C)CO Z1251352968 [1,1,0,0,0,0|2,0,0]=4 460 B7R0.11 CNCC(C)(C)CO Z1198235262 [1,1,0,0,0,0|2,0,0]=4 461 B7R0.11 COCC(C)(C)CO Z1198238137 [1,1,0,0,0,0|2,0,0]=4 462 B7R0.11 COCC(C)(N)CO Z992449368 [1,1,0,0,0,0|2,0,0]=4 463 B7R0.11 COCC(C)(O)CN Z992449016 [1,1,0,0,0,0|2,0,0]=4 464 B7R0.11 CSCC(C)(O)CN Z1235968368 [1,1,0,0,0,0|2,0,0]=4 465 B7R0.11 OCCC(F)(F)CO Z1896514152 [1,1,0,0,0,0|2,0,0]=4 466 B7R0.12 CCCC(CO)OC Z2050356185 [1,1,0,0,0,0|0,0,0]=2 467 B7R0.12 COCC(CN)OC Z1820007612 [1,1,0,0,0,0|2,0,0]=4 468 B7R0.4 CC(C)CCCCN Z1250132304 [1,1,0,0,0,0|1,0,0]=3 469 B7R0.4 CC(C)CNCCO Z3269089575 [1,1,0,0,0,0|2,0,0]=4 470 B7R0.4 CC(C)COCCN Z594038266 [1,1,0,0,0,0|2,0,0]=4 471 B7R0.4 CC(C)CSCCN Z1520645037 [1,1,0,0,0,0|2,0,0]=4 472 B7R0.4 CC(C)NCCCO Z56799938 [1,1,0,0,0,0|2,0,0]=4 473 B7R0.4 CC(C)OCCCN Z2677507870 [1,1,0,0,0,0|2,0,0]=4 474 B7R0.4 CC(C)OCCCO Z1080358780 [1,1,0,0,0,0|2,0,0]=4 475 B7R0.4 CC(N)CCCCN Z2186882580 [1,1,0,0,0,0|1,0,0]=3 476 B7R0.4 CC(N)CCCCO Z2234185667 [1,1,0,0,0,0|1,0,0]=3 477 B7R0.4 CCCCCC(=O)O Z104503532 [1,1,0,0,0,0|0,0,2]=4 478 B7R0.4 CCCCCC(C)N Z104495176 [1,1,0,0,0,0|1,0,0]=3 479 B7R0.4 CCCNCC(=O)O Z744582718 [1,1,0,0,0,0|0,0,2]=4 480 B7R0.4 CCCNCC(C)C Z90518190 [1,1,0,0,0,0|1,0,0]=3 481 B7R0.4 CCCNCC(F)F Z1262250827 [1,1,0,0,0,0|2,0,0]=4 482 B7R0.4 CCCOCC(=O)O Z406677750 [1,1,0,0,0,0|0,0,2]=4 483 B7R0.4 CCCSCC(=O)C Z447929234 [1,1,0,0,0,0|0,0,2]=4 484 B7R0.4 CCCSCC(=O)O Z228425458 [1,1,0,0,0,0|0,0,2]=4 485 B7R0.4 CCNCCC(=O)O Z1869802098 [1,1,0,0,0,0|0,0,2]=4 486 B7R0.4 CCOCCC(=O)O Z316258938 [1,1,0,0,0,0|0,0,2]=4 487 B7R0.4 CCSCCC(=O)O Z197206046 [1,1,0,0,0,0|0,0,2]=4 488 B7R0.4 CN(C)CCCCN Z285162754 [1,1,0,0,0,0|2,0,0]=4 489 B7R0.4 CNCCCC(=O)O Z57043473 [1,1,0,0,0,0|0,0,2]=4 490 B7R0.4 CNCCCN(C)C Z138118060 [1,1,0,0,0,0|2,0,0]=4 491 B7R0.4 COCCCC(=O)C Z406376722 [1,1,0,0,0,0|0,0,2]=4 492 B7R0.4 COCCCC(=O)O Z316258912 [1,1,0,0,0,0|0,0,2]=4 493 B7R0.4 COCCCC(C)O Z854048762 [1,1,0,0,0,0|0,0,0]=2 494 B7R0.4 COCCCN(C)C Z2894648941 [1,1,0,0,0,0|2,0,0]=4 495 B7R0.4 CSCCCC(=O)O Z54602911 [1,1,0,0,0,0|0,0,2]=4 496 B7R0.4 NCCCCC(=O)O Z271111992 [1,1,0,0,0,0|0,0,2]=4 497 B7R0.4 NCCCCC(F)F Z4580667156 [1,1,0,0,0,0|2,0,0]=4 498 B7R0.4 O=C(O)CCCCBr Z104479696 [1,1,0,0,0,0|0,0,2]=4 499 B7R0.4 O=C(O)CCCCS Z808230828 [1,1,0,0,0,0|0,0,2]=4 500 B7R0.6 CC(=O)NCC(C)O Z353603952 [1,1,0,0,0,0|1,0,1]=4 501 B7R0.6 CC(C)CCC(=O)O Z56347204 [1,1,0,0,0,0|0,0,2]=4 502 B7R0.6 CC(C)CNC(C)C Z361996484 [1,1,0,0,0,0|2,0,0]=4 503 B7R0.6 CC(N)CCC(=O)O Z1235963367 [1,1,0,0,0,0|0,0,2]=4 504 B7R0.6 CC(N)CCC(F)F Z2737504348 [1,1,0,0,0,0|2,0,0]=4 505 B7R0.6 CC(N)CCN(C)C Z316119490 [1,1,0,0,0,0|2,0,0]=4 506 B7R0.6 CC(N)CCS(=O)C Z1269750451 [1,1,0,0,0,0|1,0,1]=4 507 B7R0.6 CC(O)CCC(=O)O Z838959470 [1,1,0,0,0,0|0,0,2]=4 508 B7R0.6 CC(O)CNC(C)C Z138692704 [1,1,0,0,0,0|1,0,0]=3 509 B7R0.8 CC(C)(C)CCCN Z819989370 [1,1,0,0,0,0|2,0,0]=4 510 B7R0.8 CC(C)(C)CCCO Z1183459256 [1,1,0,0,0,0|2,0,0]=4 511 B7R0.8 CC(C)(N)CCCN Z1184860919 [1,1,0,0,0,0|2,0,0]=4 512 B7R0.8 CC(C)(O)CCCO Z1255438724 [1,1,0,0,0,0|1,0,0]=3 513 B7R0.8 CC(F)(F)CCCN Z2230911371 [1,1,0,0,0,0|2,0,0]=4 514 B7R0.8 CCCCC(C)(C)N Z4437707785 [1,1,0,0,0,0|1,0,0]=3 515 B7R0.8 CCCNC(C)(C)C Z744754558 [1,1,0,0,0,0|2,0,0]=4 516 B7R0.8 CCNCC(C)(C)O Z600453556 [1,1,0,0,0,0|1,0,0]=3 517 B7R0.8 CNCCC(C)(C)C Z2380417739 [1,1,0,0,0,0|2,0,0]=4 518 B7R0.8 CNCCC(C)(C)N Z2313105672 [1,1,0,0,0,0|2,0,0]=4 519 B7R0.8 COCCC(C)(C)N Z879061970 [1,1,0,0,0,0|2,0,0]=4 520 B7R0.1 CC#CCCCCO Z1233226212 [1,1,0,0,0,0|0,0,1]=3 521 B7R0.1 CCCCCCCO Z104473596 [1,1,0,0,0,0|0,0,0]=2 522 B7R0.1 CCCCCCNC Z5419328797 [1,1,0,0,0,0|1,0,0]=3 523 B7R0.1 CCCCOCCN Z409191398 [1,1,0,0,0,0|1,0,0]=3 524 B7R0.1 CCCOCCCO Z1080358966 [1,1,0,0,0,0|0,0,0]=2 525 B7R0.1 CCNCCOCC Z138138014 [1,1,0,0,0,0|2,0,0]=4 526 B7R0.1 CCOCCCC#N Z295205414 [1,1,0,0,0,0|1,0,1]=4 527 B7R0.1 CCOCCCCO Z993012560 [1,1,0,0,0,0|0,0,0]=2 528 B7R0.1 CCSCCCC#N Z332378682 [1,1,0,0,0,0|1,0,1]=4 529 B7R0.1 CNCCCCCN Z4097840720 [1,1,0,0,0,0|1,0,0]=3 530 B7R0.1 CNCCCCOC Z875082126 [1,1,0,0,0,0|1,0,0]=3 531 B7R0.1 COCCCCC#N Z815260498 [1,1,0,0,0,0|1,0,1]=4 532 B7R0.1 COCCCCCN Z608347192 [1,1,0,0,0,0|1,0,0]=3 533 B7R0.1 COCCCCCO Z993012416 [1,1,0,0,0,0|0,0,0]=2 534 B7R0.1 COCCNCCF Z2512872814 [1,1,0,0,0,0|2,0,0]=4 535 B7R0.1 COCCNCCN Z2940670642 [1,1,0,0,0,0|2,0,0]=4 536 B7R0.1 COCCNCCO Z266088374 [1,1,0,0,0,0|1,0,0]=3 537 B7R0.1 COCCOCCN Z285178622 [1,1,0,0,0,0|2,0,0]=4 538 B7R0.1 COCCOCCO Z849748688 [1,1,0,0,0,0|1,0,0]=3 539 B7R0.1 CSCCCCC#N Z823282284 [1,1,0,0,0,0|1,0,1]=4 540 B7R0.1 CSCCCCCN Z823285026 [1,1,0,0,0,0|1,0,0]=3 541 B7R0.1 CSCCCCCO Z968557058 [1,1,0,0,0,0|0,0,0]=2 542 B7R0.1 CSCCCCSC Z1198148193 [1,1,0,0,0,0|1,1,0]=4 543 B7R0.1 ClCCCNCCCl Z2242062238 [1,1,0,0,0,0|2,0,0]=4 544 B7R0.1 N#CCCNCCO Z53116581 [1,1,0,0,0,0|1,0,1]=4 545 B7R0.1 NCCCCCCN Z104473514 [1,1,0,0,0,0|1,0,0]=3 546 B7R0.1 NCCOCCCO Z2044949087 [1,1,0,0,0,0|1,0,0]=3 547 B7R0.1 NCCSCCCO Z406685362 [1,1,0,0,0,0|1,0,0]=3 548 B7R0.1 OCCCCCCBr Z1255398867 [1,1,0,0,0,0|0,0,0]=2 549 B7R0.1 OCCCCCCO Z104473540 [1,1,0,0,0,0|0,0,0]=2 550 B7R0.1 OCCCNCCO Z104654390 [1,1,0,0,0,0|1,0,0]=3 551 B7R0.1 OCCCOCCO Z1373668758 [1,1,0,0,0,0|1,0,0]=3 552 B7R0.1 OCCCSCCO Z149155194 [1,1,0,0,0,0|1,0,0]=3 553 B7R0.1 OCCSSCCO Z1255415413 [1,1,0,0,0,0|2,0,0]=4 554 B9R0.5 CCCCCC(O)CCO Z1198158015 [0,2,0,0,0,0|0,0,0]=2 555 B9R0.8 CCCCC(N)C(=O)NO Z1184862892 [0,2,0,0,0,0|1,0,1]=4 556 B9R0.8 CCCCC(N)C(=O)OC Z1675167157 [0,2,0,0,0,0|1,0,1]=4 557 B9R0.18 CCCCC(N)CCCC Z5099120554 [0,2,0,0,0,0|2,0,0]=4 558 B9R0.40 CCCCC(CC)CNC Z137526036 [0,2,0,0,0,0|2,0,0]=4 559 B9R0.40 CCCCC(CN)CCC Z992309480 [0,2,0,0,0,0|2,0,0]=4 560 B9R0.6 CCCC(C)C(N)C(=O)O Z905051876 [0,2,0,0,0,0|1,0,1]=4 561 B9R0.27 O=C[C@H](O)[C@@H](O)[C@@H](O)CO Z1201619244 [0,2,0,0,0,0|1,0,1]=4 562 B9R0.27 O=C[C@H](O)[C@@H](O)[C@H](O)CO Z1255438834 [0,2,0,0,0,0|1,0,1]=4 563 B9R0.27 O=C[C@H](O)[C@H](O)[C@H](O)CO Z1255372712 [0,2,0,0,0,0|1,0,1]=4 564 B9R0.1 CC(C)CCCC(C)CN Z5875145536 [0,2,0,0,0,0|2,0,0]=4 565 B9R0.1 CC(C)COCC(O)CN Z285181512 [0,2,0,0,0,0|1,0,0]=3 566 B9R0.20 CCCCCC(C)(C)CN Z995183114 [0,2,0,0,0,0|2,0,0]=4 567 B9R0.20 COCCNC(C)(C)CO Z267081364 [0,2,0,0,0,0|2,0,0]=4 568 B9R0.46 CCCCCCC(C)CO Z1238840360 [0,2,0,0,0,0|1,0,0]=3 569 B9R0.46 CCCCCCC(N)CC Z5869944669 [0,2,0,0,0,0|2,0,0]=4 570 B9R0.47 CCC/C=C/C(O)C(=O)O Z2681277218 [0,2,0,0,0,0|0,0,2]=4 571 B9R0.47 CCCCCC(O)C(=O)O Z788000584 [0,2,0,0,0,0|0,0,1]=3 572 B9R0.47 CCCCOC(C)C(=O)O Z409190966 [0,2,0,0,0,0|1,0,1]=4 573 B9R0.47 CCCCSC(C)C(=O)O Z149191762 [0,2,0,0,0,0|1,0,1]=4 574 B9R0.47 CCCSCC(N)C(=O)O Z444349874 [0,2,0,0,0,0|1,0,1]=4 575 B9R0.47 COCCCC(N)C(=O)O Z1428160326 [0,2,0,0,0,0|1,0,1]=4 576 B9R0.47 CSCCCC(N)C(=O)O Z3274997631 [0,2,0,0,0,0|1,0,1]=4 577 B9R0.47 NCCCCC(N)C(=O)O Z57127389 [0,2,0,0,0,0|1,0,1]=4 578 B9R0.47 NCCCC[C@H](N)C(=O)O Z812534818 [0,2,0,0,0,0|1,0,1]=4 579 B9R0.50 CCC(CC)CCCNC Z2573039211 [0,2,0,0,0,0|2,0,0]=4 580 B9R0.3 CCNCC(O)C(F)(F)F Z1171219452 [0,2,0,0,0,0|2,0,0]=4 581 B9R0.7 CC(C)CCC(N)C(=O)O Z1259339953 [0,2,0,0,0,0|1,0,1]=4 582 B9R0.13 CCC(CCOC)C(=O)O Z756391352 [0,2,0,0,0,0|2,0,0]=4 583 B9R0.13 CCCCC(CC)C(=O)N Z394696486 [0,2,0,0,0,0|1,0,1]=4 584 B9R0.13 CCCCC(CC)C(=O)O Z104478072 [0,2,0,0,0,0|1,0,0]=3 585 B9R0.13 COC(CCSC)C(=O)O Z1592680734 [0,2,0,0,0,0|1,0,1]=4 586 B9R0.42 CCC(C)CC(N)C(=O)O Z2306603552 [0,2,0,0,0,0|1,0,1]=4 587 B9R0.42 O=C(O)C(O)CC(O)CO Z1262514590 [0,2,0,0,0,0|1,0,1]=4 588 B9R0.51 CCCCC(C)(F)C(=O)O Z1508949719 [0,2,0,0,0,0|1,0,1]=4 589 B9R0.21 CC(C)(C)CCC(N)CO Z1198179460 [0,2,0,0,0,0|1,0,0]=3 590 B9R0.21 CC(CO)NCC(C)(C)C Z4835620866 [0,2,0,0,0,0|2,0,0]=4 591 B9R0.64 CC(C)CCC(C)(O)CN Z419085084 [0,2,0,0,0,0|1,0,0]=3 592 B9R0.64 CN(C)CCC(C)(O)CN Z1737940675 [0,2,0,0,0,0|2,0,0]=4 593 B7R1.1 BrCC1CCCO1 Z90660999 [1,0,0,1,0,0|1,0,0]=3 594 B7R1.1 CCC1CCCN1 Z281773802 [1,0,0,1,0,0|2,0,0]=4 595 B7R1.1 ClCC1CCCO1 Z56893271 [1,0,0,1,0,0|1,0,0]=3 596 B7R1.1 FCC1CCCN1 Z2216711551 [1,0,0,1,0,0|2,0,0]=4 597 B7R1.1 N#CC1CCCO1 Z1079178976 [1,0,0,1,0,0|1,0,1]=4 598 B7R1.1 NCC1CCCC1 Z367452206 [1,0,0,1,0,0|2,0,0]=4 599 B7R1.1 NCC1CCCS1 Z1201677924 [1,0,0,1,0,0|1,1,0]=4 600 B7R1.1 NCC1COCO1 Z2298138033 [1,0,0,1,0,0|2,0,0]=4 601 B7R1.1 NC[C@@H]1CCCN1 Z3235020468 [1,0,0,1,0,0|2,0,0]=4 602 B7R1.1 NC[C@H]1CCCN1 Z1483956794 [1,0,0,1,0,0|2,0,0]=4 603 B7R1.1 OCC1CCCC1 Z397587414 [1,0,0,1,0,0|1,0,0]=3 604 B7R1.1 OCC1CCCN1 Z825308062 [1,0,0,1,0,0|1,0,0]=3 605 B7R1.1 OCC1CCCS1 Z1201679857 [1,0,0,1,0,0|0,1,0]=3 606 B7R1.1 OCC1CCNC1 Z976722188 [1,0,0,1,0,0|2,0,0]=4 607 B7R1.1 OCC1CCOC1 Z335245192 [1,0,0,1,0,0|2,0,0]=4 608 B7R1.1 OCC1CCSC1 Z1201679855 [1,0,0,1,0,0|2,0,0]=4 609 B7R1.1 OC[C@@H]1CCCN1 Z1123715411 [1,0,0,1,0,0|1,0,0]=3 610 B7R1.2 CC1CC(CN1)O Z1201051000 [1,0,0,1,0,0|1,0,0]=3 611 B7R1.2 CC1CC(CO1)N Z2418414350 [1,0,0,1,0,0|1,0,0]=3 612 B7R1.2 CC1CC(CS1)N Z1203639702 [1,0,0,1,0,0|1,1,0]=4 613 B7R1.2 CC1CCC(C1)O Z1233224917 [1,0,0,1,0,0|1,0,0]=3 614 B7R1.2 CC1CNC(C1)C Z1250222491 [1,0,0,1,0,0|2,0,0]=4 615 B7R1.3 CC1COCCN1 Z336087928 [1,0,0,1,0,0|2,0,0]=4 616 B7R1.3 C[C@H]1CCCNC1 Z1895741201 [1,0,0,1,0,0|2,0,0]=4 617 B7R1.3 NC1CCCCC1 Z1945707495 [1,0,0,1,0,0|2,0,0]=4 618 B7R1.3 NC1CCCOC1 Z1013492300 [1,0,0,1,0,0|1,0,0]=3 619 B7R1.3 NC1CCCSC1 Z1029463244 [1,0,0,1,0,0|1,1,0]=4 620 B7R1.3 OC1CCCCC1 Z104473498 [1,0,0,1,0,0|1,0,0]=3 621 B7R1.3 OC1CCCSC1 Z993818972 [1,0,0,1,0,0|0,1,0]=3 622 B7R1.3 OC1CCNCC1 Z56347197 [1,0,0,1,0,0|2,0,0]=4 623 B7R1.3 OC1CCOCC1 Z1359429523 [1,0,0,1,0,0|2,0,0]=4 624 B7R1.3 OC1CCONC1 Z3325124334 [1,0,0,1,0,0|2,0,0]=4 625 B7R1.3 OC1CNCCO1 Z1428160315 [1,0,0,1,0,0|2,0,0]=4 626 B7R1.3 OC1COCOC1 Z431564488 [1,0,0,1,0,0|1,0,0]=3 627 B7R1.4 CC1CCCC1N Z1219738990 [1,0,0,1,0,0|2,0,0]=4 628 B7R1.4 C[C@@H]1CCC[C@@H]1N Z2309845262 [1,0,0,1,0,0|2,0,0]=4 629 B7R1.4 C[C@@H]1CCC[C@H]1N Z2568757690 [1,0,0,1,0,0|2,0,0]=4 630 B7R1.4 C[C@@H]1CNC[C@@H]1O Z2309845194 [1,0,0,1,0,0|2,0,0]=4 631 B7R1.4 C[C@@H]1NCC[C@H]1O Z2235678880 [1,0,0,1,0,0|2,0,0]=4 632 B7R1.4 N[C@@H]1CCC[C@@H]1O Z2306841441 [1,0,0,1,0,0|1,0,0]=3 633 B7R1.4 N[C@@H]1CCC[C@H]1N Z2786079696 [1,0,0,1,0,0|2,0,0]=4 634 B7R1.4 N[C@@H]1CCC[C@H]1O Z2256393934 [1,0,0,1,0,0|1,0,0]=3 635 B7R1.4 N[C@@H]1CSC[C@@H]1O Z3068057819 [1,0,0,1,0,0|2,0,0]=4 636 B7R1.4 N[C@H]1CCC[C@@H]1O Z1197994837 [1,0,0,1,0,0|1,0,0]=3 637 B7R1.4 OC1CCCC1O Z600452564 [1,0,0,1,0,0|0,0,0]=2 638 B7R1.4 OC1CNCC1O Z1147229592 [1,0,0,1,0,0|1,0,0]=3 639 B7R1.4 O[C@@H]1CNC[C@H]1F Z2307368320 [1,0,0,1,0,0|2,0,0]=4 640 B7R1.4 O[C@@H]1CNC[C@H]1O Z2309778206 [1,0,0,1,0,0|1,0,0]=3 641 B7R1.4 O[C@H]1CNC[C@H]1O Z1318268689 [1,0,0,1,0,0|1,0,0]=3 642 B7R1.5 CCC[C@@H]1C[C@H]1N Z2298098035 [1,0,0,1,0,0|2,0,0]=4 643 B7R1.6 CCCC1CNC1 Z2310679174 [1,0,0,1,0,0|2,0,0]=4 644 B7R1.8 CN[C@@H]1CC[C@H]1O Z2678247023 [1,0,0,1,0,0|2,0,0]=4 645 B7R1.9 CC[C@@H]1C[C@H]1CN Z2235810238 [1,0,0,1,0,0|2,0,0]=4 646 B7R1.9 ClC[C@H]1O[C@H]1CCl Z1205660922 [1,0,0,1,0,0|2,0,0]=4 647 B7R1.10 N[C@H]1C[C@H](C1)CO Z1203585248 [1,0,0,1,0,0|2,0,0]=4 648 B7R1.21 CC1(CO1)CCO Z1486026620 [1,0,0,1,0,0|2,0,0]=4 649 B7R1.21 CCCC1(CC1)N Z3072982019 [1,0,0,1,0,0|2,0,0]=4 650 B7R1.21 CCCC1(CO1)C Z1020679916 [1,0,0,1,0,0|1,0,0]=3 651 B7R1.21 COCC1(CO1)C Z1020679792 [1,0,0,1,0,0|2,0,0]=4 652 B7R1.22 CC(CN)C1CC1 Z1259341042 [1,0,0,1,0,0|2,0,0]=4 653 B7R1.22 NC(CO)C1CC1 Z1362754532 [1,0,0,1,0,0|1,0,0]=3 654 B7R1.22 NCC(N)C1CC1 Z445154916 [1,0,0,1,0,0|2,0,0]=4 655 B7R1.22 NCC(O)C1CC1 Z802856322 [1,0,0,1,0,0|1,0,0]=3 656 B7R1.22 O=C(CO)C1CC1 Z1172087188 [1,0,0,1,0,0|0,0,2]=4 657 B7R1.25 CC1(CCC1)CN Z1357823912 [1,0,0,1,0,0|2,0,0]=4 658 B7R1.25 CCC1(CCC1)N Z1333043532 [1,0,0,1,0,0|2,0,0]=4 659 B7R1.25 NC1(CCC1)CO Z1203581511 [1,0,0,1,0,0|1,0,0]=3 660 B7R1.25 NCC1(CCC1)Cl Z4313035783 [1,0,0,1,0,0|2,0,0]=4 661 B7R1.25 NCC1(CCC1)F Z1862011799 [1,0,0,1,0,0|2,0,0]=4 662 B7R1.25 NCC1(CCC1)O Z419084774 [1,0,0,1,0,0|1,0,0]=3 663 B7R1.25 OCC1(CCC1)O Z1537124745 [1,0,0,1,0,0|0,0,0]=2 664 B7R1.7 C=CCCC1CO1 Z1255485443 [1,0,0,1,0,0|0,0,2]=4 665 B7R1.7 CCCCC1CO1 Z1020679810 [1,0,0,1,0,0|0,0,0]=2 666 B7R1.7 CCNCC1CC1 Z1692483163 [1,0,0,1,0,0|2,0,0]=4 667 B7R1.7 CCOCC1CO1 Z271128258 [1,0,0,1,0,0|1,0,0]=3 668 B7R1.7 CNCCC1CC1 Z1480642691 [1,0,0,1,0,0|2,0,0]=4 669 B7R1.7 COCCC1CO1 Z1495386141 [1,0,0,1,0,0|1,0,0]=3 670 B7R1.7 NCCCC1CC1 Z2465611603 [1,0,0,1,0,0|2,0,0]=4 671 B7R1.12 CC(=O)C1CC1C Z1259336498 [1,0,0,1,0,0|0,0,2]=4 672 B7R1.12 CC(C)[C@@H]1C[C@H]1N Z2285053182 [1,0,0,1,0,0|2,0,0]=4 673 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [1,0,0,1,0,0|0,0,2]=4 674 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [1,0,0,1,0,0|0,0,2]=4 675 B7R1.14 CC1(CCCC1)O Z449370856 [1,0,0,1,0,0|0,0,0]=2 676 B7R1.14 CC1(CCCN1)C Z1259335892 [1,0,0,1,0,0|2,0,0]=4 677 B7R1.14 CC1(CCNC1)C Z1270207926 [1,0,0,1,0,0|2,0,0]=4 678 B7R1.14 CC1(CCNC1)O Z1139194384 [1,0,0,1,0,0|1,0,0]=3 679 B7R1.14 CC1(CCOC1)N Z1895741238 [1,0,0,1,0,0|2,0,0]=4 680 B7R1.14 CC1(CCSC1)N Z4990294346 [1,0,0,1,0,0|2,0,0]=4 681 B7R1.14 CC1(CCSC1)O Z1359841674 [1,0,0,1,0,0|1,0,0]=3 682 B7R1.14 CC1(CNOC1)O Z3035808330 [1,0,0,1,0,0|2,0,0]=4 683 B7R1.17 CC1(CCC1N)C Z1813195196 [1,0,0,1,0,0|2,0,0]=4 684 B7R1.18 CC(O)C1CCC1 Z1198149695 [1,0,0,1,0,0|0,0,0]=2 685 B7R1.18 O=C(O)C1CCC1 Z104472264 [1,0,0,1,0,0|0,0,2]=4 686 B7R1.20 CC(=O)CC1CC1 Z1198160502 [1,0,0,1,0,0|0,0,2]=4 687 B7R1.20 CC(C)CC1CO1 Z1020679872 [1,0,0,1,0,0|2,0,0]=4 688 B7R1.20 O=C(O)CC1CC1 Z234893653 [1,0,0,1,0,0|0,0,2]=4 689 B7R1.23 CC1(CC1CN)C Z1267773739 [1,0,0,1,0,0|2,0,0]=4 690 B7R1.23 CC1(CC1CO)C Z1198310193 [1,0,0,1,0,0|2,0,0]=4 691 B7R1.23 CNC1CC1(C)C Z1895742049 [1,0,0,1,0,0|2,0,0]=4 692 B7R1.24 C1CCCNCC1 Z57127566 [1,0,0,1,0,0|1,0,0]=3 693 B7R1.24 C1CCNOCC1 Z1824482753 [1,0,0,1,0,0|1,0,0]=3 694 B7R1.24 C1CNCCOC1 Z359510198 [1,0,0,1,0,0|1,0,0]=3 695 B7R1.24 C1CNCCSC1 Z1954803255 [1,0,0,1,0,0|1,1,0]=4 696 B9R1.2 CC1CC(CCO1)CO Z1268632086 [0,1,0,1,0,0|1,0,0]=3 697 B9R1.2 CC1CC(CCS1)CN Z3481572483 [0,1,0,1,0,0|2,0,0]=4 698 B9R1.2 CC1CNCC(O1)CO Z1509113623 [0,1,0,1,0,0|0,0,0]=2 699 B9R1.2 CC1COCC(O1)CN Z4877532429 [0,1,0,1,0,0|1,0,0]=3 700 B9R1.2 CCC1CC(=O)CCO1 Z1192338795 [0,1,0,1,0,0|0,0,2]=4 701 B9R1.2 CCC1CCCC(C1)N Z1210580079 [0,1,0,1,0,0|2,0,0]=4 702 B9R1.2 CCC1CCCC(C1)O Z1192057272 [0,1,0,1,0,0|1,0,0]=3 703 B9R1.2 CCC1CNCC(C1)C Z5611307807 [0,1,0,1,0,0|2,0,0]=4 704 B9R1.2 CCC1CNCC(O1)C Z405744530 [0,1,0,1,0,0|1,0,0]=3 705 B9R1.2 CCN1CCCC(C1)O Z104478102 [0,1,0,1,0,0|2,0,0]=4 706 B9R1.2 CC[C@@H]1CNC[C@@H](N1)C Z2583036320 [0,1,0,1,0,0|2,0,0]=4 707 B9R1.2 CC[C@@H]1C[C@@H](CCO1)N Z2568676427 [0,1,0,1,0,0|1,0,0]=3 708 B9R1.2 CN1CCCC(C1)CCl Z1449592184 [0,1,0,1,0,0|2,0,0]=4 709 B9R1.2 CN1CCCC(C1)CO Z103740616 [0,1,0,1,0,0|1,0,0]=3 710 B9R1.2 CN1CCOC(C1)CN Z803081680 [0,1,0,1,0,0|2,0,0]=4 711 B9R1.2 CN1CCOC(C1)CO Z1255388024 [0,1,0,1,0,0|1,0,0]=3 712 B9R1.2 CNC1CCCC(C1)O Z3064472236 [0,1,0,1,0,0|2,0,0]=4 713 B9R1.2 COC1CCCC(C1)O Z104476334 [0,1,0,1,0,0|2,0,0]=4 714 B9R1.2 C[C@@H]1CCC[C@@H](N1)CN Z3617085231 [0,1,0,1,0,0|2,0,0]=4 715 B9R1.2 C[C@@H]1CCC[C@@H](N1)CO Z2738355370 [0,1,0,1,0,0|1,0,0]=3 716 B9R1.2 C[C@@H]1C[C@H](CCS1)CN Z3488455799 [0,1,0,1,0,0|2,0,0]=4 717 B9R1.2 C[C@H]1C[C@H](CCN1)CO Z2102741286 [0,1,0,1,0,0|1,0,0]=3 718 B9R1.2 NCC1CCCC(C1)F Z2429425744 [0,1,0,1,0,0|2,0,0]=4 719 B9R1.2 NC[C@@H]1C[C@@H](CCO1)O Z3200658572 [0,1,0,1,0,0|1,0,0]=3 720 B9R1.2 O=C1CCCC(N1)CO Z1198313433 [0,1,0,1,0,0|1,0,1]=4 721 B9R1.7 CC1CCC(C1)CCN Z3271769493 [0,1,0,1,0,0|2,0,0]=4 722 B9R1.7 CC1CCN(C1)CCO Z785808944 [0,1,0,1,0,0|2,0,0]=4 723 B9R1.7 CCCC1CCC(C1)N Z1233210255 [0,1,0,1,0,0|2,0,0]=4 724 B9R1.7 CCSC1CCC(C1)N Z1245790214 [0,1,0,1,0,0|2,0,0]=4 725 B9R1.7 CNC[C@@H]1C[C@H](CN1)O Z2242008674 [0,1,0,1,0,0|1,0,0]=3 726 B9R1.7 COC[C@@H]1C[C@@H](CN1)O Z2298137791 [0,1,0,1,0,0|1,0,0]=3 727 B9R1.8 C#CCC1CCCCN1 Z3036653487 [0,1,0,1,0,0|2,0,0]=4 728 B9R1.8 C#CCC1CNCCO1 Z4381345958 [0,1,0,1,0,0|2,0,0]=4 729 B9R1.8 C=CCC1CCCCN1 Z3976272491 [0,1,0,1,0,0|2,0,0]=4 730 B9R1.8 CCCC1CCCCN1 Z1665033554 [0,1,0,1,0,0|2,0,0]=4 731 B9R1.8 CCCC1CNCCO1 Z1203829779 [0,1,0,1,0,0|2,0,0]=4 732 B9R1.8 CCNC1CCCCC1 Z235346963 [0,1,0,1,0,0|2,0,0]=4 733 B9R1.8 CNCC1CCCCC1 Z102767074 [0,1,0,1,0,0|2,0,0]=4 734 B9R1.8 COCC1CCCCN1 Z2238934630 [0,1,0,1,0,0|1,0,0]=3 735 B9R1.8 COCC1CCCNC1 Z317037142 [0,1,0,1,0,0|2,0,0]=4 736 B9R1.8 COCC1CCNCC1 Z1267773745 [0,1,0,1,0,0|2,0,0]=4 737 B9R1.8 COCC1CNCCO1 Z1171972187 [0,1,0,1,0,0|1,0,0]=3 738 B9R1.8 N#CCC1CCCCC1 Z295382924 [0,1,0,1,0,0|2,0,0]=4 739 B9R1.8 NCCC1CCCCC1 Z367451182 [0,1,0,1,0,0|2,0,0]=4 740 B9R1.8 NCCC1CCCCO1 Z432420620 [0,1,0,1,0,0|1,0,0]=3 741 B9R1.8 O=CCC1CCCCC1 Z993017728 [0,1,0,1,0,0|1,0,1]=4 742 B9R1.8 O=CCC1CCCCO1 Z1511748073 [0,1,0,1,0,0|0,0,1]=3 743 B9R1.8 OCCC1CCCCC1 Z397587116 [0,1,0,1,0,0|1,0,0]=3 744 B9R1.8 OCCC1CCCCO1 Z1198184633 [0,1,0,1,0,0|0,0,0]=2 745 B9R1.8 OCCC1CCCNC1 Z1263820461 [0,1,0,1,0,0|2,0,0]=4 746 B9R1.8 OCCC1CCCOC1 Z1198309922 [0,1,0,1,0,0|2,0,0]=4 747 B9R1.8 OCCC1CCNCC1 Z336087886 [0,1,0,1,0,0|2,0,0]=4 748 B9R1.8 OCCC1CCOCC1 Z1178491138 [0,1,0,1,0,0|2,0,0]=4 749 B9R1.8 OCCC1CSCCN1 Z1375026565 [0,1,0,1,0,0|2,0,0]=4 750 B9R1.8 OCCN1CCCCC1 Z104479032 [0,1,0,1,0,0|2,0,0]=4 751 B9R1.12 CCCCC1CCCN1 Z3244909133 [0,1,0,1,0,0|2,0,0]=4 752 B9R1.12 CCNCC1CCCO1 Z810541800 [0,1,0,1,0,0|2,0,0]=4 753 B9R1.12 CCNCC1CCOC1 Z316387370 [0,1,0,1,0,0|2,0,0]=4 754 B9R1.12 CNCCC1CCCO1 Z1801307836 [0,1,0,1,0,0|2,0,0]=4 755 B9R1.12 NCCCC1CCOC1 Z1198224817 [0,1,0,1,0,0|2,0,0]=4 756 B9R1.12 OCCCC1CCCO1 Z993012576 [0,1,0,1,0,0|2,0,0]=4 757 B9R1.15 C#CC1CCCCC1O Z1725997828 [0,1,0,1,0,0|1,0,0]=3 758 B9R1.15 CC1CCCCC1C#N Z415654838 [0,1,0,1,0,0|2,0,0]=4 759 B9R1.15 CC1CCCCC1C=O Z1268606365 [0,1,0,1,0,0|1,0,1]=4 760 B9R1.15 CC1CCCCC1CN Z415655074 [0,1,0,1,0,0|2,0,0]=4 761 B9R1.15 CCC1CCCCC1N Z368844574 [0,1,0,1,0,0|2,0,0]=4 762 B9R1.15 CCC1CCCCC1O Z104476198 [0,1,0,1,0,0|1,0,0]=3 763 B9R1.15 CN1CCNCC1CO Z2738358229 [0,1,0,1,0,0|2,0,0]=4 764 B9R1.15 CNC1CCCCC1C Z324553050 [0,1,0,1,0,0|2,0,0]=4 765 B9R1.15 COC1CCCCC1N Z285187676 [0,1,0,1,0,0|1,0,0]=3 766 B9R1.15 COC1CCCCC1O Z425453594 [0,1,0,1,0,0|0,0,0]=2 767 B9R1.15 COC1CCNCC1C Z2235681426 [0,1,0,1,0,0|2,0,0]=4 768 B9R1.15 COC1CNCCC1C Z1778561134 [0,1,0,1,0,0|2,0,0]=4 769 B9R1.15 CO[C@@H]1CCCC[C@@H]1N Z4658510162 [0,1,0,1,0,0|1,0,0]=3 770 B9R1.15 CO[C@@H]1CCCC[C@H]1O Z3344357599 [0,1,0,1,0,0|0,0,0]=2 771 B9R1.15 CO[C@@H]1CCCN[C@@H]1C Z3379439443 [0,1,0,1,0,0|2,0,0]=4 772 B9R1.15 CO[C@@H]1CCOC[C@H]1N Z2309916425 [0,1,0,1,0,0|2,0,0]=4 773 B9R1.15 CS[C@H]1CCCC[C@@H]1N Z2182116696 [0,1,0,1,0,0|1,1,0]=4 774 B9R1.15 C[C@@H]1CCCN[C@@H]1CO Z2737203189 [0,1,0,1,0,0|1,0,0]=3 775 B9R1.15 C[C@@H]1NCCC[C@@H]1CO Z5613103409 [0,1,0,1,0,0|2,0,0]=4 776 B9R1.15 NCC1CCCCC1O Z409444222 [0,1,0,1,0,0|1,0,0]=3 777 B9R1.15 NC[C@@H]1CCCC[C@@H]1O Z2306746656 [0,1,0,1,0,0|1,0,0]=3 778 B9R1.15 O=C1NCCCC1CO Z1203732010 [0,1,0,1,0,0|1,0,1]=4 779 B9R1.15 O=C1NCCOC1CO Z2239006921 [0,1,0,1,0,0|1,0,1]=4 780 B9R1.15 O=CC1CCCCC1F Z1813140630 [0,1,0,1,0,0|1,0,1]=4 781 B9R1.15 OCC1CCCCC1O Z1198163949 [0,1,0,1,0,0|0,0,0]=2 782 B9R1.22 CO[C@@H]1C[C@@H](C[C@@H]1O)N Z4130649749 [0,1,0,1,0,0|2,0,0]=4 783 B9R1.33 CCN[C@@H]1CCC[C@H]1O Z1796000613 [0,1,0,1,0,0|2,0,0]=4 784 B9R1.33 CNCC1CCCC1O Z1268477814 [0,1,0,1,0,0|2,0,0]=4 785 B9R1.33 NCC[C@@H]1CCC[C@@H]1O Z4317048669 [0,1,0,1,0,0|2,0,0]=4 786 B9R1.33 NCC[C@@H]1CCC[C@H]1O Z3272980752 [0,1,0,1,0,0|2,0,0]=4 787 B9R1.48 CN1CCNCC(C1)O Z2310716518 [0,1,0,1,0,0|2,0,0]=4 788 B9R1.48 C[C@@H]1CCNC[C@@H](C1)C Z2865591915 [0,1,0,1,0,0|2,0,0]=4 789 B9R1.49 CC1CCCC(NC1)C Z1203830904 [0,1,0,1,0,0|2,0,0]=4 790 B9R1.49 CN1CCCC(CC1)N Z2310677587 [0,1,0,1,0,0|2,0,0]=4 791 B9R1.49 C[C@@H]1CCO[C@@H](CN1)C Z3025866678 [0,1,0,1,0,0|2,0,0]=4 792 B9R1.49 O=C1CCCC(CN1)O Z1255401193 [0,1,0,1,0,0|1,0,1]=4 793 B9R1.50 CC1CCCCCCN1 Z3487835965 [0,1,0,1,0,0|2,0,0]=4 794 B9R1.50 NC1CCCCCCC1 Z104478188 [0,1,0,1,0,0|2,0,0]=4 795 B9R1.50 OC1CCCCCCC1 Z104472780 [0,1,0,1,0,0|1,0,0]=3 796 B9R1.69 CC1CC(CCC1O)N Z1203641685 [0,1,0,1,0,0|1,0,0]=3 797 B9R1.69 CC1CCC(C(=O)C1)C Z1238548176 [0,1,0,1,0,0|1,0,1]=4 798 B9R1.69 CC1CCC(C(C1)C)N Z854046330 [0,1,0,1,0,0|2,0,0]=4 799 B9R1.69 CC1CCC(C(C1)C)O Z854051758 [0,1,0,1,0,0|1,0,0]=3 800 B9R1.69 CC1CCC(C(C1)O)C Z1201617039 [0,1,0,1,0,0|1,0,0]=3 801 B9R1.69 CC1CCC(CC1C)O Z1201617040 [0,1,0,1,0,0|1,0,0]=3 802 B9R1.69 CC1CNC(C(C1)C)C Z1741798374 [0,1,0,1,0,0|2,0,0]=4 803 B9R1.69 CC1CNC(C(O1)C)C Z1375709458 [0,1,0,1,0,0|2,0,0]=4 804 B9R1.69 NC1CC[C@H]([C@H](C1)O)O Z2936002015 [0,1,0,1,0,0|0,0,0]=2 805 B9R1.73 CCCC(N)C1CCC1 Z1198737987 [0,1,0,1,0,0|2,0,0]=4 806 B9R1.73 CNCC(O)C1CCC1 Z5934780548 [0,1,0,1,0,0|1,0,0]=3 807 B9R1.73 NC(CCO)C1CCC1 Z3287661201 [0,1,0,1,0,0|1,0,0]=3 808 B9R1.134 C#CCC1(CCSC1)O Z1349169700 [0,1,0,1,0,0|2,0,0]=4 809 B9R1.134 C=CCC1(CCOC1)O Z1341702029 [0,1,0,1,0,0|2,0,0]=4 810 B9R1.134 CC1(CCCC1)CC#N Z2009869708 [0,1,0,1,0,0|2,0,0]=4 811 B9R1.134 CNCC1(CCCC1)C Z5428107828 [0,1,0,1,0,0|2,0,0]=4 812 B9R1.134 CNCC1(CCCC1)F Z3627015906 [0,1,0,1,0,0|2,0,0]=4 813 B9R1.134 CNCC1(CCCC1)O Z1020680510 [0,1,0,1,0,0|1,0,0]=3 814 B9R1.134 COCC1(CCCN1)C Z4499747807 [0,1,0,1,0,0|2,0,0]=4 815 B9R1.134 COCC1(CCNC1)C Z2234185642 [0,1,0,1,0,0|2,0,0]=4 816 B9R1.134 COCC1(CCNC1)F Z3153432489 [0,1,0,1,0,0|2,0,0]=4 817 B9R1.134 COCC1(CCOC1)N Z2242050896 [0,1,0,1,0,0|2,0,0]=4 818 B9R1.134 N#CCC1(CCNC1)O Z2357568600 [0,1,0,1,0,0|2,0,0]=4 819 B9R1.134 NCCC1(CCCC1)O Z2517097572 [0,1,0,1,0,0|1,0,0]=3 820 B9R1.3 CC1CCCC(C1C)N Z104478930 [0,1,0,1,0,0|2,0,0]=4 821 B9R1.3 CC1CCCC(C1N)C Z359419654 [0,1,0,1,0,0|2,0,0]=4 822 B9R1.3 CC1CCCC(C1N)O Z1509035391 [0,1,0,1,0,0|1,0,0]=3 823 B9R1.3 CC1CCCC(C1O)C Z335244846 [0,1,0,1,0,0|1,0,0]=3 824 B9R1.3 CC1CNCC(C1O)C Z1509063911 [0,1,0,1,0,0|1,0,0]=3 825 B9R1.3 N[C@@H]1CCC[C@H]([C@H]1O)O Z4497061557 [0,1,0,1,0,0|0,0,0]=2 826 B9R1.3 O[C@H]1CNC[C@H]([C@H]1O)O Z1203732389 [0,1,0,1,0,0|1,0,0]=3 827 B9R1.4 CNC[C@@H]1CC[C@H]1OC Z5183373543 [0,1,0,1,0,0|2,0,0]=4 828 B9R1.5 N[C@@H]1CCCCC[C@H]1O Z1198180675 [0,1,0,1,0,0|1,0,0]=3 829 B9R1.5 N[C@H]1CCCCC[C@H]1N Z2895202592 [0,1,0,1,0,0|2,0,0]=4 830 B9R1.5 O[C@H]1CCNCC[C@H]1O Z3681811836 [0,1,0,1,0,0|0,0,0]=2 831 B9R1.11 CC(CN)N1CCCC1 Z228571104 [0,1,0,1,0,0|2,0,0]=4 832 B9R1.11 CCC(C)C1CCCN1 Z3752630998 [0,1,0,1,0,0|2,0,0]=4 833 B9R1.11 CCC(N)C1CCCC1 Z513797602 [0,1,0,1,0,0|2,0,0]=4 834 B9R1.11 CCC(N)C1CCCO1 Z1259145227 [0,1,0,1,0,0|2,0,0]=4 835 B9R1.11 CCC(N)C1CCOC1 Z1138843620 [0,1,0,1,0,0|2,0,0]=4 836 B9R1.11 C[C@@H](CN)N1CCCC1 Z4663210446 [0,1,0,1,0,0|2,0,0]=4 837 B9R1.11 N#CC(O)C1CCOC1 Z419078510 [0,1,0,1,0,0|1,0,1]=4 838 B9R1.11 NC(CO)C1CCOC1 Z1446874474 [0,1,0,1,0,0|1,0,0]=3 839 B9R1.11 NCC(O)C1CCOC1 Z2418537435 [0,1,0,1,0,0|1,0,0]=3 840 B9R1.11 O=C(CO)N1CCCC1 Z431952022 [0,1,0,1,0,0|0,0,2]=4 841 B9R1.132 C[C@@H]1[C@@H](CCN1C)CO Z2442061117 [0,1,0,1,0,0|2,0,0]=4 842 B9R1.132 OC[C@@H]1NC[C@H]([C@H]1O)O Z4452704152 [0,1,0,1,0,0|1,0,0]=3 843 B9R1.132 O[C@@H]1[C@@H](CN[C@H]1CF)O Z4497197479 [0,1,0,1,0,0|1,0,0]=3 844 B9R1.202 CC1(CCCC1N)CO Z1255430902 [0,1,0,1,0,0|1,0,0]=3 845 B9R1.202 CN1CCCC1(C)CO Z4918241999 [0,1,0,1,0,0|1,0,0]=3 846 B9R1.1 CC1CCC(=NO)CC1 Z49568435 [0,1,0,1,0,0|1,0,1]=4 847 B9R1.1 CC1CCC(CC1)C#N Z415654864 [0,1,0,1,0,0|2,0,0]=4 848 B9R1.1 CC1CCC(CC1)C=O Z1250055138 [0,1,0,1,0,0|1,0,1]=4 849 B9R1.1 CC1CCC(CC1)NN Z927192058 [0,1,0,1,0,0|2,0,0]=4 850 B9R1.1 CC1CCC(NC1)CN Z3492445324 [0,1,0,1,0,0|2,0,0]=4 851 B9R1.1 CC1COC(CN1)CO Z1430538108 [0,1,0,1,0,0|1,0,0]=3 852 B9R1.1 CC1COC(CO1)CN Z4984374432 [0,1,0,1,0,0|2,0,0]=4 853 B9R1.1 CCC1COC(CN1)C Z56968897 [0,1,0,1,0,0|2,0,0]=4 854 B9R1.1 CCN1CCC(CC1)N Z96092729 [0,1,0,1,0,0|2,0,0]=4 855 B9R1.1 CCN1CCC(CC1)O Z197264618 [0,1,0,1,0,0|1,0,0]=3 856 B9R1.1 CC[C@@H]1CC[C@H](NC1)C Z3337244239 [0,1,0,1,0,0|2,0,0]=4 857 B9R1.1 CC[C@H]1CC[C@@H](CC1)N Z2205958759 [0,1,0,1,0,0|2,0,0]=4 858 B9R1.1 CN1CCC(CC1)CO Z594219182 [0,1,0,1,0,0|2,0,0]=4 859 B9R1.1 CNC1CCC(CC1)O Z138503904 [0,1,0,1,0,0|1,0,0]=3 860 B9R1.1 CN[C@H]1CC[C@H](CC1)O Z3241259883 [0,1,0,1,0,0|1,0,0]=3 861 B9R1.1 COC1CCC(CC1)N Z2284394857 [0,1,0,1,0,0|2,0,0]=4 862 B9R1.1 COC1CCC(CC1)O Z904962746 [0,1,0,1,0,0|1,0,0]=3 863 B9R1.1 C[C@@H]1CC[C@H](OC1)CN Z3770977955 [0,1,0,1,0,0|1,0,0]=3 864 B9R1.1 C[C@@H]1CO[C@H](CO1)CN Z4918953814 [0,1,0,1,0,0|2,0,0]=4 865 B9R1.1 C[C@H]1CC[C@@H](CC1)C=O Z1511765971 [0,1,0,1,0,0|1,0,1]=4 866 B9R1.1 N[C@H]1CC[C@@H](CC1)CF Z3035094917 [0,1,0,1,0,0|2,0,0]=4 867 B9R1.1 N[C@H]1CC[C@@H](CC1)CO Z1203582309 [0,1,0,1,0,0|1,0,0]=3 868 B9R1.1 N[C@H]1CC[C@H](CC1)CO Z1203579954 [0,1,0,1,0,0|1,0,0]=3 869 B9R1.1 OCC1CCC(CC1)O Z1255451065 [0,1,0,1,0,0|1,0,0]=3 870 B9R1.17 NCCCCC1CCC1 Z5398432947 [0,1,0,1,0,0|2,0,0]=4 871 B9R1.21 CCN1CCC(C1)CN Z234895457 [0,1,0,1,0,0|2,0,0]=4 872 B9R1.21 NC[C@H]1CC[C@H](C1)CN Z1203591890 [0,1,0,1,0,0|2,0,0]=4 873 B9R1.21 OC[C@@H]1CC[C@H](N1)CO Z2309988693 [0,1,0,1,0,0|1,0,0]=3 874 B9R1.79 NC(CO)CC1CCC1 Z1263593952 [0,1,0,1,0,0|1,0,0]=3 875 B9R1.79 NCC(O)CC1CCC1 Z5787667532 [0,1,0,1,0,0|1,0,0]=3 876 B9R1.79 O=C(CO)OC1CCC1 Z1962692460 [0,1,0,1,0,0|0,0,2]=4 877 B9R1.89 C#CC1CCCCNC1 Z2768767729 [0,1,0,1,0,0|2,0,0]=4 878 B9R1.89 CCC1CCCCCN1 Z992736884 [0,1,0,1,0,0|2,0,0]=4 879 B9R1.89 CCC1CCCNCC1 Z425362302 [0,1,0,1,0,0|2,0,0]=4 880 B9R1.89 CCC1CCNCCO1 Z3275232542 [0,1,0,1,0,0|1,0,0]=3 881 B9R1.89 CCC1CCOCCN1 Z3275231194 [0,1,0,1,0,0|2,0,0]=4 882 B9R1.89 CNC1CCCCCC1 Z102766800 [0,1,0,1,0,0|2,0,0]=4 883 B9R1.89 COC1CCCNCC1 Z2492774475 [0,1,0,1,0,0|2,0,0]=4 884 B9R1.89 CSC1CCCCNC1 Z1462950888 [0,1,0,1,0,0|1,1,0]=4 885 B9R1.89 FCC1CNCCCO1 Z2295370275 [0,1,0,1,0,0|1,0,0]=3 886 B9R1.89 NCC1C=CCCCC1 Z3443270742 [0,1,0,1,0,0|2,0,0]=4 887 B9R1.89 NCC1CCCCCC1 Z415655096 [0,1,0,1,0,0|2,0,0]=4 888 B9R1.89 NCC1CCCOCC1 Z4438964521 [0,1,0,1,0,0|2,0,0]=4 889 B9R1.89 NCC1CCCSCC1 Z3037487975 [0,1,0,1,0,0|2,0,0]=4 890 B9R1.89 NCC1COCCOC1 Z2310678775 [0,1,0,1,0,0|2,0,0]=4 891 B9R1.89 O=CC1CCCCCC1 Z1079442748 [0,1,0,1,0,0|1,0,1]=4 892 B9R1.89 O=CC1COCCOC1 Z1813175634 [0,1,0,1,0,0|1,0,1]=4 893 B9R1.89 OCC1CCCCCC1 Z992928672 [0,1,0,1,0,0|1,0,0]=3 894 B9R1.89 OCC1CCCCNC1 Z1318147457 [0,1,0,1,0,0|1,0,0]=3 895 B9R1.118 C#CC1(CCCNC1)O Z2740389421 [0,1,0,1,0,0|1,0,1]=4 896 B9R1.118 C#CC1(CCNCC1)O Z2679940955 [0,1,0,1,0,0|1,0,1]=4 897 B9R1.118 CC1(CCCCC1)CN Z1413780464 [0,1,0,1,0,0|2,0,0]=4 898 B9R1.118 CC1(CCCCC1)CO Z1201620047 [0,1,0,1,0,0|1,0,0]=3 899 B9R1.118 CC1(CCCCN1)CO Z1255397122 [0,1,0,1,0,0|1,0,0]=3 900 B9R1.118 CC1(CCCCO1)C=O Z2178581866 [0,1,0,1,0,0|0,0,2]=4 901 B9R1.118 CC1(CCCNC1)CO Z1198184762 [0,1,0,1,0,0|1,0,0]=3 902 B9R1.118 CC1(CCNCC1)CO Z1683068092 [0,1,0,1,0,0|1,0,0]=3 903 B9R1.118 CC1(CCOCC1)CO Z1255447679 [0,1,0,1,0,0|1,0,0]=3 904 B9R1.118 CCC1(CCCCC1)N Z2235790648 [0,1,0,1,0,0|2,0,0]=4 905 B9R1.118 CCC1(CCCCC1)O Z449370576 [0,1,0,1,0,0|1,0,0]=3 906 B9R1.118 CCC1(CCCNC1)C Z1198369368 [0,1,0,1,0,0|2,0,0]=4 907 B9R1.118 CCC1(CCNCC1)C Z979713968 [0,1,0,1,0,0|2,0,0]=4 908 B9R1.118 CCC1(CCNCC1)O Z1267885912 [0,1,0,1,0,0|1,0,0]=3 909 B9R1.118 CCC1(CNCCO1)C Z1020801330 [0,1,0,1,0,0|2,0,0]=4 910 B9R1.118 N#CC1(CCOCC1)O Z440604900 [0,1,0,1,0,0|1,0,1]=4 911 B9R1.118 NC1(CCCCC1)CO Z2417556977 [0,1,0,1,0,0|1,0,0]=3 912 B9R1.118 NC1(CCOCC1)CO Z234898275 [0,1,0,1,0,0|1,0,0]=3 913 B9R1.118 NC1(CCSCC1)CO Z2256111066 [0,1,0,1,0,0|1,0,0]=3 914 B9R1.118 NCC1(CCCCC1)Br Z1982417702 [0,1,0,1,0,0|2,0,0]=4 915 B9R1.118 NCC1(CCCCC1)N Z235344715 [0,1,0,1,0,0|2,0,0]=4 916 B9R1.118 NCC1(CCCCC1)O Z363991148 [0,1,0,1,0,0|1,0,0]=3 917 B9R1.118 NCC1(CCCSC1)O Z4951242636 [0,1,0,1,0,0|1,0,0]=3 918 B9R1.118 NCC1(CCNCC1)O Z778383858 [0,1,0,1,0,0|1,0,0]=3 919 B9R1.118 NCC1(CCOCC1)F Z1216819322 [0,1,0,1,0,0|2,0,0]=4 920 B9R1.118 NCC1(CCOCC1)N Z440604832 [0,1,0,1,0,0|2,0,0]=4 921 B9R1.118 NCC1(CCSCC1)O Z803080496 [0,1,0,1,0,0|1,0,0]=3 922 B9R1.118 OCC1(CCCNC1)O Z2284393168 [0,1,0,1,0,0|0,0,0]=2 923 B9R1.118 OCC1(CCNCC1)F Z2941371989 [0,1,0,1,0,0|1,0,0]=3 924 B9R1.118 OCC1(CCNCC1)O Z2522871031 [0,1,0,1,0,0|0,0,0]=2 925 B9R1.118 OCC1(CCOCC1)O Z1537124723 [0,1,0,1,0,0|0,0,0]=2 926 B9R1.6 CC(C)C1CCCCN1 Z1269638432 [0,1,0,1,0,0|2,0,0]=4 927 B9R1.6 CC(C)C1CNCCO1 Z1203831893 [0,1,0,1,0,0|2,0,0]=4 928 B9R1.6 CC(N)C1CCCCC1 Z446020926 [0,1,0,1,0,0|2,0,0]=4 929 B9R1.6 CC(N)C1COCCO1 Z3482741168 [0,1,0,1,0,0|2,0,0]=4 930 B9R1.6 CC(O)C1CCCCC1 Z445987098 [0,1,0,1,0,0|1,0,0]=3 931 B9R1.6 CC(O)C1CCCCN1 Z995042172 [0,1,0,1,0,0|1,0,0]=3 932 B9R1.6 CC(O)C1CCCNC1 Z431526982 [0,1,0,1,0,0|2,0,0]=4 933 B9R1.6 CC(O)C1CCNCC1 Z995042164 [0,1,0,1,0,0|2,0,0]=4 934 B9R1.6 CC(O)C1CCOCC1 Z1171215247 [0,1,0,1,0,0|2,0,0]=4 935 B9R1.6 CC(O)C1CNCCO1 Z1203734763 [0,1,0,1,0,0|1,0,0]=3 936 B9R1.6 C[C@@H](O)C1CCCCC1 Z959151676 [0,1,0,1,0,0|1,0,0]=3 937 B9R1.6 FC(F)C1CCCCN1 Z1222423573 [0,1,0,1,0,0|2,0,0]=4 938 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [0,1,0,1,0,0|1,0,1]=4 939 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [0,1,0,1,0,0|1,0,1]=4 940 B9R1.6 O=C(O)C1CCCCO1 Z963633098 [0,1,0,1,0,0|0,0,1]=3 941 B9R1.6 O=C(O)C1COCCO1 Z362763682 [0,1,0,1,0,0|1,0,1]=4 942 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [0,1,0,1,0,0|1,0,1]=4 943 B9R1.6 OB(O)C1CCCCC1 Z56789446 [0,1,0,1,0,0|2,0,0]=4 944 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [0,1,0,1,0,0|1,0,1]=4 945 B9R1.35 CC1COC(O1)C(C)C Z1198154966 [0,1,0,1,0,0|2,0,0]=4 946 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [0,1,0,1,0,0|1,0,1]=4 947 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [0,1,0,1,0,0|0,0,1]=3 948 B9R1.40 CC1(CCCCC1N)C Z1203579141 [0,1,0,1,0,0|2,0,0]=4 949 B9R1.40 CC1(CCCCC1O)C Z1350656299 [0,1,0,1,0,0|1,0,0]=3 950 B9R1.40 CC1(CNCCC1O)C Z1198307024 [0,1,0,1,0,0|2,0,0]=4 951 B9R1.40 CC1(NCCCC1O)C Z2733321182 [0,1,0,1,0,0|2,0,0]=4 952 B9R1.40 CC1CCCCC1(C)O Z449370784 [0,1,0,1,0,0|1,0,0]=3 953 B9R1.40 C[C@@H]1CCNC[C@]1(C)O Z2309893888 [0,1,0,1,0,0|2,0,0]=4 954 B9R1.40 C[C@]1(CCNC[C@@H]1O)O Z4437808787 [0,1,0,1,0,0|1,0,0]=3 955 B9R1.40 C[C@]1(CNCC[C@@H]1O)O Z3333750066 [0,1,0,1,0,0|1,0,0]=3 956 B9R1.40 NC1CCCCC1(F)F Z1415893909 [0,1,0,1,0,0|2,0,0]=4 957 B9R1.40 OC1CCNCC1(F)F Z2513333566 [0,1,0,1,0,0|2,0,0]=4 958 B9R1.40 OC1CNCCC1(F)F Z1962223535 [0,1,0,1,0,0|2,0,0]=4 959 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O Z2310055381 [0,1,0,1,0,0|1,0,1]=4 960 B9R1.106 CN1CCC(C1(C)C)O Z3288556368 [0,1,0,1,0,0|2,0,0]=4 961 B9R1.107 CC1(C(CC1CN)O)C Z3248142559 [0,1,0,1,0,0|2,0,0]=4 962 B9R1.110 CC(C(=O)O)C1CCC1 Z1198237996 [0,1,0,1,0,0|1,0,1]=4 963 B9R1.110 NC(C(=O)O)C1CCC1 Z1309515310 [0,1,0,1,0,0|1,0,1]=4 964 B9R1.110 O=C(O)C(O)C1CCC1 Z1205496047 [0,1,0,1,0,0|0,0,1]=3 965 B9R1.112 NC(CC1CC1)C(=O)O Z431958560 [0,1,0,1,0,0|1,0,1]=4 966 B9R1.112 O=C(O)C(F)CC1CC1 Z1443587524 [0,1,0,1,0,0|1,0,1]=4 967 B9R1.163 CC(C)C1(CCCC1)O Z449370848 [0,1,0,1,0,0|1,0,0]=3 968 B9R1.163 CC(C)C1(CCNC1)O Z3061184026 [0,1,0,1,0,0|2,0,0]=4 969 B9R1.163 CC(O)C1(CCCO1)C Z1389051935 [0,1,0,1,0,0|2,0,0]=4 970 B9R1.163 CC1(CCCC1)C(=O)O Z199537270 [0,1,0,1,0,0|1,0,1]=4 971 B9R1.163 NC(=O)C1(CCCC1)O Z965048590 [0,1,0,1,0,0|0,0,2]=4 972 B9R1.163 NC1(CCCC1)C(=O)O Z234896477 [0,1,0,1,0,0|1,0,1]=4 973 B9R1.163 NC1(CCCC1)C(F)F Z2111525544 [0,1,0,1,0,0|2,0,0]=4 974 B9R1.163 O=C(O)C1(CCCC1)O Z220335554 [0,1,0,1,0,0|0,0,1]=3 975 B9R1.163 O=C(O)C1(CCOC1)O Z1124555786 [0,1,0,1,0,0|1,0,1]=4 976 B9R1.163 OC1(CCNC1)C(F)F Z2235790765 [0,1,0,1,0,0|2,0,0]=4 977 B9R1.10 CC1(CCC(CC1)N)C Z1198179746 [0,1,0,1,0,0|2,0,0]=4 978 B9R1.10 CC1(CCC(CC1)O)N Z3216195539 [0,1,0,1,0,0|1,0,0]=3 979 B9R1.10 CC1(CCC(CC1)O)O Z1813153932 [0,1,0,1,0,0|1,0,0]=3 980 B9R1.10 CC1(CCC(CN1)O)C Z3614373501 [0,1,0,1,0,0|1,0,0]=3 981 B9R1.10 CC1CCC(CC1)(C)N Z1201055255 [0,1,0,1,0,0|2,0,0]=4 982 B9R1.10 CC1CCC(CN1)(C)C Z3244598361 [0,1,0,1,0,0|2,0,0]=4 983 B9R1.10 CN1CCC(CC1)(C)O Z600507484 [0,1,0,1,0,0|2,0,0]=4 984 B9R1.10 C[C@@]1(CC[C@H](CC1)N)F Z3790481810 [0,1,0,1,0,0|2,0,0]=4 985 B9R1.10 C[C@H]1COC(CN1)(C)C Z1837067759 [0,1,0,1,0,0|2,0,0]=4 986 B9R1.10 OC1CCC(CC1)(F)F Z1198272328 [0,1,0,1,0,0|2,0,0]=4 987 B9R1.125 CC1CCC(C1)(N)CO Z4381130473 [0,1,0,1,0,0|1,0,0]=3 988 B9R1.125 CN1CCC(C1)(O)CN Z1065767880 [0,1,0,1,0,0|2,0,0]=4 989 B9R1.133 CC1(CC(CN1)CO)C Z1813147815 [0,1,0,1,0,0|2,0,0]=4 990 B9R1.133 CC1(CCC(C1)CN)C Z1262683542 [0,1,0,1,0,0|2,0,0]=4 991 B9R1.133 CC1(CCC(N1)CO)C Z4358475031 [0,1,0,1,0,0|1,0,0]=3 992 B9R1.133 CC1(COC(C1)CN)C Z2753778389 [0,1,0,1,0,0|2,0,0]=4 993 B9R1.133 CC1(OCC(O1)CO)C Z104479028 [0,1,0,1,0,0|1,0,0]=3 994 B9R1.133 OCC1CCC(C1)(F)F Z1618026262 [0,1,0,1,0,0|2,0,0]=4 995 B9R1.138 CC1(NC[C@H]([C@H]1O)O)C Z4014985822 [0,1,0,1,0,0|1,0,0]=3 996 B9R1.138 CC1(OC[C@H]([C@@H]1O)N)C Z4456587098 [0,1,0,1,0,0|2,0,0]=4 997 B9R1.138 N[C@@H]1CCC([C@H]1O)(F)F Z3325071608 [0,1,0,1,0,0|2,0,0]=4 998 B9R1.70 COC(C=O)C1CCC1 Z2301377224 [0,1,0,1,0,0|0,0,2]=4 999 B9R1.204 C#CC1(CCCC1)CN Z5333440825 [0,1,0,1,0,0|2,0,0]=4 1000 B9R1.204 CCC1(CCCC1)C#N Z1259282006 [0,1,0,1,0,0|2,0,0]=4 1001 B9R1.204 CCC1(CCCC1)C=O Z1392905121 [0,1,0,1,0,0|1,0,1]=4 1002 B9R1.204 CCC1(CCCC1)CN Z995184408 [0,1,0,1,0,0|2,0,0]=4 1003 B9R1.204 CCC1(CCCN1)CO Z1235967861 [0,1,0,1,0,0|2,0,0]=4 1004 B9R1.204 COC1(CCCC1)C#N Z1270206907 [0,1,0,1,0,0|1,0,1]=4 1005 B9R1.204 COC1(CCCC1)C=O Z1511780488 [0,1,0,1,0,0|0,0,2]=4 1006 B9R1.204 COC1(CCOC1)CN Z1689341620 [0,1,0,1,0,0|2,0,0]=4 1007 B9R1.204 N#CC1(CCCC1)CN Z2465619866 [0,1,0,1,0,0|2,0,0]=4 1008 B9R1.204 N#CC1(CCCC1)CO Z1238573143 [0,1,0,1,0,0|1,0,0]=3 1009 B9R1.204 NCC1(CCCC1)CO Z1718490164 [0,1,0,1,0,0|1,0,0]=3 1010 B9R1.204 OCC1(CCCO1)CO Z1726051641 [0,1,0,1,0,0|1,0,0]=3 1011 B9R1.204 OCC1(CSSC1)CO Z1896551233 [0,1,0,1,0,0|2,0,0]=4 1012 B9R1.207 NCC1(CC(C1)CF)O Z5520440464 [0,1,0,1,0,0|2,0,0]=4 1013 B9R1.62 CC(C)(CN)C1CCC1 Z2235644501 [0,1,0,1,0,0|2,0,0]=4 1014 B9R1.62 NCC(F)(F)C1CCC1 Z1966571791 [0,1,0,1,0,0|2,0,0]=4 1015 B9R1.64 CC(C)(CO)CC1CO1 Z2896015233 [0,1,0,1,0,0|2,0,0]=4 1016 B9R1.64 CC(C)(CO)NC1CC1 Z1744715170 [0,1,0,1,0,0|2,0,0]=4 1017 B9R1.148 CC1(CCCCCC1)N Z1210869367 [0,1,0,1,0,0|2,0,0]=4 1018 B9R1.148 CC1(CCCCCC1)O Z449370874 [0,1,0,1,0,0|1,0,0]=3 1019 B9R1.148 CC1(CCCCNC1)C Z1504672380 [0,1,0,1,0,0|2,0,0]=4 1020 B9R1.148 CC1(CCCNCC1)O Z1945705132 [0,1,0,1,0,0|2,0,0]=4 1021 B9R1.148 CC1(CNCCNC1)O Z3606270690 [0,1,0,1,0,0|2,0,0]=4 1022 B9R1.148 CC1(CNCCOC1)C Z2310678918 [0,1,0,1,0,0|2,0,0]=4 1023 B9R1.148 CC1(CNCCOC1)O Z1999520497 [0,1,0,1,0,0|1,0,0]=3 1024 B9R2.33 N[C@H]1C[C@@H]2CC[C@@H]2C1 Z4368396323 [0,0,0,2,0,0|2,0,0]=4 1025 B9R2.39 NC1CC2CCC1C2 Z1250132652 [0,0,0,2,0,0|2,0,0]=4 1026 B9R2.39 NC1CC2CCC1O2 Z1203586766 [0,0,0,2,0,0|1,0,0]=3 1027 B9R2.39 N[C@@H]1C[C@H]2CC[C@@H]1O2 Z2442099637 [0,0,0,2,0,0|1,0,0]=3 1028 B9R2.39 N[C@H]1CC2CCC1O2 Z1270498447 [0,0,0,2,0,0|1,0,0]=3 1029 B9R2.39 OC1CC2CCC1C2 Z104479470 [0,0,0,2,0,0|1,0,0]=3 1030 B9R2.39 OC1CC2CCC1O2 Z1255395449 [0,0,0,2,0,0|0,0,0]=2 1031 B9R2.39 OC1CN2CCC1C2 Z1270446274 [0,0,0,2,0,0|2,0,0]=4 1032 B9R2.39 O[C@@H]1C[C@H]2CN[C@@H]1C2 Z3288510014 [0,0,0,2,0,0|2,0,0]=4 1033 B9R2.68 C1CC2CC(N1)CO2 Z3181698309 [0,0,0,2,0,0|1,0,0]=3 1034 B9R2.68 C1CC2CCC(C2)N1 Z3719007183 [0,0,0,2,0,0|2,0,0]=4 1035 B9R2.68 C1CC2CNCC1C2 Z1359881938 [0,0,0,2,0,0|2,0,0]=4 1036 B9R2.68 C1CC2CNCC1N2 Z1741980016 [0,0,0,2,0,0|2,0,0]=4 1037 B9R2.68 C1CC2CNCC1O2 Z1198181219 [0,0,0,2,0,0|1,0,0]=3 1038 B9R2.68 C1CC2COCC1N2 Z1203732330 [0,0,0,2,0,0|1,0,0]=3 1039 B9R2.68 C1CC2CSCC1N2 Z3013893876 [0,0,0,2,0,0|1,1,0]=4 1040 B9R2.68 C1NC2COCC1C2 Z4789051337 [0,0,0,2,0,0|2,0,0]=4 1041 B9R2.68 C1NCC2CC1CO2 Z1688198390 [0,0,0,2,0,0|2,0,0]=4 1042 B9R2.110 CC12CCC(N1)CC2 Z3212174238 [0,0,0,2,0,0|2,0,0]=4 1043 B9R2.110 CC12CNC(C1)CO2 Z4775683870 [0,0,0,2,0,0|2,0,0]=4 1044 B9R2.110 NC12CCC(C1)CC2 Z1650039442 [0,0,0,2,0,0|2,0,0]=4 1045 B9R2.110 NC12CCC(C1)OC2 Z3444783709 [0,0,0,2,0,0|1,0,0]=3 1046 B9R2.110 OC12CCN(C1)CC2 Z4459532026 [0,0,0,2,0,0|2,0,0]=4 1047 B9R2.139 NC1CCC2(C1)CC2 Z4102471449 [0,0,0,2,0,0|2,0,0]=4 1048 B9R2.24 O[C@@H]1[C@@H]2CO[C@H]1CN2 Z3379722157 [0,0,0,2,0,0|1,0,0]=3 1049 B9R2.49 C1CC2CCC1NO2 Z2712744350 [0,0,0,2,0,0|2,0,0]=4 1050 B9R2.49 C1CC2CNC1CN2 Z2301438463 [0,0,0,2,0,0|2,0,0]=4 1051 B9R2.50 C1CC[C@H]2NC[C@H]2C1 Z2309997705 [0,0,0,2,0,0|2,0,0]=4 1052 B9R2.50 C1CN[C@H]2CC[C@H]2C1 Z3072437860 [0,0,0,2,0,0|2,0,0]=4 1053 B9R2.53 OC1C2CNCC1C2 Z1020801268 [0,0,0,2,0,0|2,0,0]=4 1054 B9R2.56 NC[C@@]12CCC[C@@H]1C2 Z2896171841 [0,0,0,2,0,0|2,0,0]=4 1055 B9R2.65 NCC1C2C1CCC2 Z3676755604 [0,0,0,2,0,0|2,0,0]=4 1056 B9R2.65 OC[C@@H]1[C@@H]2[C@H]1CNC2 Z362759288 [0,0,0,2,0,0|2,0,0]=4 1057 B9R2.123 NC1C2C1CCCC2 Z1335657662 [0,0,0,2,0,0|2,0,0]=4 1058 B9R2.174 C1CC2(CCO1)CO2 Z1020679958 [0,0,0,2,0,0|2,0,0]=4 1059 B9R2.174 C1CC2(CCS1)CO2 Z1198313574 [0,0,0,2,0,0|2,0,0]=4 1060 B9R2.174 C1CCC2(CC1)CO2 Z359231458 [0,0,0,2,0,0|1,0,0]=3 1061 B9R2.174 C1CCC2(CC2)NC1 Z3014016765 [0,0,0,2,0,0|2,0,0]=4 1062 B9R2.174 C1COC2(CC2)CN1 Z3068350883 [0,0,0,2,0,0|2,0,0]=4 1063 B9R2.174 C1COCC2(C1)CO2 Z1203154403 [0,0,0,2,0,0|2,0,0]=4 1064 B9R2.40 CC12CCC(=O)C1O2 Z1513595022 [0,0,0,2,0,0|0,0,2]=4 1065 B9R2.6 CC12CCCCC1O2 Z1255380027 [0,0,0,2,0,0|1,0,0]=3 1066 B9R2.6 NC12CCCCC1C2 Z2694811356 [0,0,0,2,0,0|2,0,0]=4 1067 B9R2.1 NC1CC12CCCC2 Z1863617847 [0,0,0,2,0,0|2,0,0]=4 1068 B9R2.52 C1=CC2OC2CCC1 Z4464852999 [0,0,0,2,0,0|1,0,1]=4 1069 B9R2.52 C1CCC2CC2NC1 Z4496337315 [0,0,0,2,0,0|2,0,0]=4 1070 B9R2.52 C1CCC2OC2CC1 Z278165186 [0,0,0,2,0,0|1,0,0]=3 1071 B9R2.51 C1CCC2CC(C1)N2 Z5134646662 [0,0,0,2,0,0|2,0,0]=4 1072 B9R2.140 NC1CCC12CCC2 Z3301588621 [0,0,0,2,0,0|2,0,0]=4 1073 B9R2.173 C1CC2(CN1)COC2 Z1201627869 [0,0,0,2,0,0|2,0,0]=4 1074 B9R2.7 NC1CC2C1CCC2 Z2866593007 [0,0,0,2,0,0|2,0,0]=4 1075 B9R2.7 O[C@@H]1C[C@@H]2[C@H]1CCN2 Z4343629833 [0,0,0,2,0,0|2,0,0]=4 1076 B9R2.7 O[C@@H]1C[C@H]2[C@@H]1CCN2 Z5042714030 [0,0,0,2,0,0|2,0,0]=4 1077 B9R2.14 N[C@]12CC[C@H]1CNC2 Z4989061547 [0,0,0,2,0,0|2,0,0]=4 1078 B9R2.36 NC1CCC1C2CC2 Z1966566405 [0,0,0,2,0,0|2,0,0]=4 1079 B9R2.79 NC[C@@H]1C[C@H]1C2CC2 Z2240803949 [0,0,0,2,0,0|2,0,0]=4 1080 B9R2.192 NC1(CC1)CC2CC2 Z2313530748 [0,0,0,2,0,0|2,0,0]=4