0 B7R0.4 CC(=O)NCCCN Z295405102 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.4 CC(=O)NCCCO Z353570744 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.4 CC(C)C/C=C/CO Z1813145997 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.4 CC(C)CCCCN Z1250132304 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.4 CC(C)CNCCO Z3269089575 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.4 CC(C)COCCN Z594038266 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.4 CC(C)CSCCN Z1520645037 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.4 CC(C)NCCCO Z56799938 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.4 CC(C)OCCC#N Z317037874 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.4 CC(C)OCCCN Z2677507870 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.4 CC(C)OCCCO Z1080358780 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.4 CC(N)CCCCN Z2186882580 [0,0,0,0,0,0|1,0,0]=1 12 B7R0.4 CC(N)CCCCO Z2234185667 [0,0,0,0,0,0|1,0,0]=1 13 B7R0.4 CCCCCC(=N)N Z3490473907 [0,0,0,0,0,0|1,0,1]=2 14 B7R0.4 CCCCCC(=O)O Z104503532 [0,0,0,0,0,0|2,0,1]=3 15 B7R0.4 CCCCCC(C)N Z104495176 [0,0,0,0,0,0|0,0,0]=0 16 B7R0.4 CCCCNC(=S)N Z56930717 [0,0,0,0,0,0|2,0,1]=3 17 B7R0.4 CCCCOC(=O)N Z104476286 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.4 CCCNCC(=O)N Z2211231296 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.4 CCCNCC(=O)O Z744582718 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.4 CCCNCC(C)C Z90518190 [0,0,0,0,0,0|2,0,0]=2 21 B7R0.4 CCCNCC(F)F Z1262250827 [0,0,0,0,0,0|3,0,0]=3 22 B7R0.4 CCCOCC(=O)O Z406677750 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.4 CCCSCC(=O)C Z447929234 [0,0,0,0,0,0|2,0,1]=3 24 B7R0.4 CCCSCC(=O)O Z228425458 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.4 CCNCCC(=O)N Z2681234913 [0,0,0,0,0,0|2,0,1]=3 26 B7R0.4 CCNCCC(=O)O Z1869802098 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.4 CCOCCC(=O)O Z316258938 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.4 CCSCCC(=O)O Z197206046 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.4 CN(C)CCCC#N Z168912116 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.4 CN(C)CCCCN Z285162754 [0,0,0,0,0,0|3,0,0]=3 31 B7R0.4 CNCCCC(=O)O Z57043473 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.4 CNCCCN(C)C Z138118060 [0,0,0,0,0,0|3,0,0]=3 33 B7R0.4 CNCCNC(=O)C Z1456777974 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.4 COCCCC(=N)N Z1267882086 [0,0,0,0,0,0|2,0,1]=3 35 B7R0.4 COCCCC(=O)C Z406376722 [0,0,0,0,0,0|2,0,1]=3 36 B7R0.4 COCCCC(=O)O Z316258912 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.4 COCCCC(C)O Z854048762 [0,0,0,0,0,0|2,0,0]=2 38 B7R0.4 COCCCN(C)C Z2894648941 [0,0,0,0,0,0|3,0,0]=3 39 B7R0.4 COCCNC(=O)N Z56904572 [0,0,0,0,0,0|3,0,1]=4 40 B7R0.4 COCOCC(=N)N Z1723549321 [0,0,0,0,0,0|3,0,1]=4 41 B7R0.4 CSCCCC(=O)O Z54602911 [0,0,0,0,0,0|3,0,1]=4 42 B7R0.4 NC(=O)COCCO Z1198148880 [0,0,0,0,0,0|3,0,1]=4 43 B7R0.4 NC(=O)NCCCO Z198194722 [0,0,0,0,0,0|3,0,1]=4 44 B7R0.4 NCCCCC(=O)N Z1639630947 [0,0,0,0,0,0|2,0,1]=3 45 B7R0.4 NCCCCC(=O)O Z271111992 [0,0,0,0,0,0|3,0,1]=4 46 B7R0.4 NCCCCC(F)F Z4580667156 [0,0,0,0,0,0|3,0,0]=3 47 B7R0.4 NCCCOC(=O)N Z3337481796 [0,0,0,0,0,0|3,0,1]=4 48 B7R0.4 NCCCSC(F)F Z4644353863 [0,0,0,0,0,0|4,0,0]=4 49 B7R0.4 NCCOCC(=O)N Z1428158847 [0,0,0,0,0,0|3,0,1]=4 50 B7R0.4 O=C(O)CCCCBr Z104479696 [0,0,0,0,0,0|3,0,1]=4 51 B7R0.4 O=C(O)CCCCS Z808230828 [0,0,0,0,0,0|3,0,1]=4 52 B7R0.4 O=C([O-])CCCCO Z2335631573 [0,0,0,0,0,0|3,0,1]=4 53 B7R0.4 OCCNCC(F)F Z608352548 [0,0,0,0,0,0|4,0,0]=4 54 B7R0.4 OCCOCC(F)F Z1251415632 [0,0,0,0,0,0|4,0,0]=4 55 B6R0.4 C#CCCC(C)O Z854048672 [1,0,0,0,0,0|1,0,2]=4 56 B6R0.4 C=CCCC(C)N Z3681295487 [1,0,0,0,0,0|0,0,2]=3 57 B6R0.4 CC#CCC(C)N Z975788700 [1,0,0,0,0,0|0,0,2]=3 58 B6R0.4 CC(C)CCCN Z992716898 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.4 CC(C)NCCN Z3375885739 [1,0,0,0,0,0|3,0,0]=4 60 B6R0.4 CC(C)NCCO Z137800940 [1,0,0,0,0,0|3,0,0]=4 61 B6R0.4 CC(C)OCCN Z1688198421 [1,0,0,0,0,0|3,0,0]=4 62 B6R0.4 CC(C)OCCO Z104478444 [1,0,0,0,0,0|3,0,0]=4 63 B6R0.4 CC(C)SCCN Z2092369402 [1,0,0,0,0,0|3,0,0]=4 64 B6R0.4 CC(N)CCCN Z2230911100 [1,0,0,0,0,0|1,0,0]=2 65 B6R0.4 CC(N)CCCO Z1203578676 [1,0,0,0,0,0|1,0,0]=2 66 B6R0.4 CC(O)CCCN Z1198178891 [1,0,0,0,0,0|2,0,0]=3 67 B6R0.4 CCCCB(O)O Z1147227739 [1,0,0,0,0,0|3,0,0]=4 68 B6R0.4 CCCCC(=N)N Z1723418909 [1,0,0,0,0,0|1,0,1]=3 69 B6R0.4 CCCCC(=O)N Z104476278 [1,0,0,0,0,0|1,0,1]=3 70 B6R0.4 CCCCC(=O)O Z104473312 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.4 CCCCC(C)N Z3300506318 [1,0,0,0,0,0|0,0,0]=1 72 B6R0.4 CCCNC(=O)C Z33030314 [1,0,0,0,0,0|2,0,1]=4 73 B6R0.4 CCCNC(=S)N Z56930715 [1,0,0,0,0,0|2,0,1]=4 74 B6R0.4 CCCOC(=O)N Z1198148877 [1,0,0,0,0,0|2,0,1]=4 75 B6R0.4 CCNCC(=O)N Z1459435506 [1,0,0,0,0,0|2,0,1]=4 76 B6R0.4 CCNCC(C)C Z380844664 [1,0,0,0,0,0|2,0,0]=3 77 B6R0.4 CCNCC(C)O Z138692768 [1,0,0,0,0,0|2,0,0]=3 78 B6R0.4 CCNCC(F)F Z1691545150 [1,0,0,0,0,0|3,0,0]=4 79 B6R0.4 CCOCC(C)N Z839575202 [1,0,0,0,0,0|1,0,0]=2 80 B6R0.4 CCSCC(C)N Z1203641186 [1,0,0,0,0,0|1,0,0]=2 81 B6R0.4 CNCCC(=O)C Z1536943318 [1,0,0,0,0,0|2,0,1]=4 82 B6R0.4 CNCCC(C)C Z607822512 [1,0,0,0,0,0|2,0,0]=3 83 B6R0.4 CNCCC(C)O Z1203731868 [1,0,0,0,0,0|2,0,0]=3 84 B6R0.4 CNCCN(C)C Z138123106 [1,0,0,0,0,0|3,0,0]=4 85 B6R0.4 COCCC(=N)N Z1592042674 [1,0,0,0,0,0|2,0,1]=4 86 B6R0.4 COCCC(=O)C Z362119682 [1,0,0,0,0,0|2,0,1]=4 87 B6R0.4 COCCC(=O)N Z394696458 [1,0,0,0,0,0|2,0,1]=4 88 B6R0.4 COCCC(C)N Z361881180 [1,0,0,0,0,0|1,0,0]=2 89 B6R0.4 COCCC(C)O Z818738042 [1,0,0,0,0,0|2,0,0]=3 90 B6R0.4 COCCN(C)C Z5121096537 [1,0,0,0,0,0|3,0,0]=4 91 B6R0.4 CSCCC(=N)N Z1266823407 [1,0,0,0,0,0|2,0,1]=4 92 B6R0.4 NC(=O)CCCO Z1203578394 [1,0,0,0,0,0|2,0,1]=4 93 B6R0.4 NCCCC(=O)N Z398513418 [1,0,0,0,0,0|2,0,1]=4 94 B6R0.4 NCCCC(F)F Z1198165810 [1,0,0,0,0,0|3,0,0]=4 95 B6R0.6 C#CCCCCN Z1431002697 [1,0,0,0,0,0|0,0,2]=3 96 B6R0.6 C#CCNCCC Z815264308 [1,0,0,0,0,0|1,0,2]=4 97 B6R0.6 C#CCSCCN Z1250132324 [1,0,0,0,0,0|1,0,2]=4 98 B6R0.6 C=CCCCCN Z1198160046 [1,0,0,0,0,0|0,0,2]=3 99 B6R0.6 C=CCOCCN Z976678988 [1,0,0,0,0,0|1,0,2]=4 100 B6R0.6 C=CCSCCN Z1262237162 [1,0,0,0,0,0|1,0,2]=4 101 B6R0.6 CCC#CCCN Z1203585246 [1,0,0,0,0,0|0,0,2]=3 102 B6R0.6 CCCCCCO Z104473568 [1,0,0,0,0,0|1,0,0]=2 103 B6R0.6 CCCCN=C=S Z104473876 [1,0,0,0,0,0|2,0,1]=4 104 B6R0.6 CCCNCC#N Z235653524 [1,0,0,0,0,0|1,0,2]=4 105 B6R0.6 CCCOCCN Z4449042604 [1,0,0,0,0,0|1,0,0]=2 106 B6R0.6 CCNCCCF Z1203824341 [1,0,0,0,0,0|2,0,0]=3 107 B6R0.6 CCNCCCO Z138139914 [1,0,0,0,0,0|2,0,0]=3 108 B6R0.6 CCNCCSC Z2412193591 [1,0,0,0,0,0|2,0,0]=3 109 B6R0.6 CCOCCCO Z1080358490 [1,0,0,0,0,0|2,0,0]=3 110 B6R0.6 CNCCCCN Z2939606540 [1,0,0,0,0,0|1,0,0]=2 111 B6R0.6 CNCCCCO Z839096662 [1,0,0,0,0,0|2,0,0]=3 112 B6R0.6 CNCCCOC Z137847932 [1,0,0,0,0,0|2,0,0]=3 113 B6R0.6 CNCCCSC Z102766932 [1,0,0,0,0,0|2,0,0]=3 114 B6R0.6 COCCCC#N Z295205400 [1,0,0,0,0,0|1,0,2]=4 115 B6R0.6 COCCCCO Z431605254 [1,0,0,0,0,0|2,0,0]=3 116 B6R0.6 CONCCCN Z2492414217 [1,0,0,0,0,0|2,0,0]=3 117 B6R0.6 ClCCNCCCl Z57388616 [1,0,0,0,0,0|3,0,0]=4 118 B6R0.6 FCCNCCF Z4880681336 [1,0,0,0,0,0|3,0,0]=4 119 B6R0.6 N#CCCCCN Z823279224 [1,0,0,0,0,0|1,0,1]=3 120 B6R0.6 N#CCCCCO Z431952150 [1,0,0,0,0,0|1,0,2]=4 121 B6R0.6 NCC#CCCO Z1203639371 [1,0,0,0,0,0|1,0,2]=4 122 B6R0.6 NCCC#CCO Z4947584692 [1,0,0,0,0,0|1,0,2]=4 123 B6R0.6 NCCCCCF Z3524160733 [1,0,0,0,0,0|1,0,0]=2 124 B6R0.6 NCCCCCN Z951173830 [1,0,0,0,0,0|1,0,0]=2 125 B6R0.6 NCCNCCN Z104475186 [1,0,0,0,0,0|2,0,0]=3 126 B6R0.6 OCCNCCO Z104475196 [1,0,0,0,0,0|3,0,0]=4 127 B8R0.5 CC(C)CC(N)CCO Z223025192 [0,1,0,0,0,0|2,0,0]=3 128 B8R0.5 CCCC(C)CC(=O)O Z352782810 [0,1,0,0,0,0|2,0,1]=4 129 B8R0.5 CCCC(O)CC(=O)O Z982132146 [0,1,0,0,0,0|2,0,1]=4 130 B8R0.5 CCNC(=O)CC(C)O Z1203750199 [0,1,0,0,0,0|2,0,1]=4 131 B8R0.5 CCNC(C)CN(C)C Z854111922 [0,1,0,0,0,0|3,0,0]=4 132 B8R0.5 CCOC(=N)CC(C)C Z1374778812 [0,1,0,0,0,0|2,0,1]=4 133 B8R0.5 CNCC(N)CC(C)C Z756920456 [0,1,0,0,0,0|2,0,0]=3 134 B8R0.5 CNCC(O)CN(C)C Z330820128 [0,1,0,0,0,0|3,0,0]=4 135 B8R0.6 CC(CO)CSCCO Z1270309408 [0,1,0,0,0,0|3,0,0]=4 136 B8R0.6 CCCCCC(=O)NO Z59181978 [0,1,0,0,0,0|1,0,1]=3 137 B8R0.6 CCCCNC(=O)CCl Z56853747 [0,1,0,0,0,0|2,0,1]=4 138 B8R0.6 CCCCNC(=S)NN Z56855135 [0,1,0,0,0,0|2,0,1]=4 139 B8R0.6 CCCCOC(=O)CN Z1266823221 [0,1,0,0,0,0|2,0,1]=4 140 B8R0.6 CCCCOC(=O)OC Z1238573230 [0,1,0,0,0,0|2,0,1]=4 141 B8R0.6 CCCNCC(=O)NC Z104884728 [0,1,0,0,0,0|2,0,1]=4 142 B8R0.6 CCCNCC(=O)OC Z1836338844 [0,1,0,0,0,0|2,0,1]=4 143 B8R0.6 CCSCCC(C)NC Z1238713350 [0,1,0,0,0,0|1,0,0]=2 144 B8R0.6 CNC(=O)CCCCN Z5282835224 [0,1,0,0,0,0|2,0,1]=4 145 B8R0.6 CNCCCC(=O)NC Z1457934887 [0,1,0,0,0,0|2,0,1]=4 146 B8R0.6 CNCCCC(=O)OC Z415636552 [0,1,0,0,0,0|2,0,1]=4 147 B8R0.6 COC(=O)CCCCN Z854942764 [0,1,0,0,0,0|2,0,1]=4 148 B8R0.7 CC(=O)CCCCC#N Z2350907379 [0,1,0,0,0,0|1,0,2]=4 149 B8R0.7 CC(=O)NCCCCN Z600498842 [0,1,0,0,0,0|2,0,1]=4 150 B8R0.7 CC(C)CCCCCO Z1198149583 [0,1,0,0,0,0|1,0,0]=2 151 B8R0.7 CC(C)CCNCCO Z102766092 [0,1,0,0,0,0|2,0,0]=3 152 B8R0.7 CC(C)CCOCCO Z608482468 [0,1,0,0,0,0|2,0,0]=3 153 B8R0.7 CC(C)COCCC#N Z317037868 [0,1,0,0,0,0|2,0,1]=4 154 B8R0.7 CC(C)COCCCO Z1080358758 [0,1,0,0,0,0|2,0,0]=3 155 B8R0.7 CC(C)CSCCCN Z57970257 [0,1,0,0,0,0|2,0,0]=3 156 B8R0.7 CC(C)OCCCC#N Z295206484 [0,1,0,0,0,0|2,0,1]=4 157 B8R0.7 CC(C)OCCCCO Z993012606 [0,1,0,0,0,0|2,0,0]=3 158 B8R0.7 CCCCCCC(=N)N Z4088236340 [0,1,0,0,0,0|1,0,1]=3 159 B8R0.7 CCCCCCC(=O)O Z104474412 [0,1,0,0,0,0|2,0,1]=4 160 B8R0.7 CCCCCCC(C)N Z104477186 [0,1,0,0,0,0|0,0,0]=1 161 B8R0.7 CCCCCNC(=N)N Z1090000368 [0,1,0,0,0,0|1,0,1]=3 162 B8R0.7 CCCCNCC(=O)N Z398513412 [0,1,0,0,0,0|1,0,1]=3 163 B8R0.7 CCCCOCC(=O)O Z409190912 [0,1,0,0,0,0|2,0,1]=4 164 B8R0.7 CCCCSCC(=O)O Z239951532 [0,1,0,0,0,0|2,0,1]=4 165 B8R0.7 CCCNCCC(=O)O Z2944330072 [0,1,0,0,0,0|2,0,1]=4 166 B8R0.7 CCCNCCN(C)C Z1250222486 [0,1,0,0,0,0|2,0,0]=3 167 B8R0.7 CCNCCCC(=O)O Z2937339976 [0,1,0,0,0,0|2,0,1]=4 168 B8R0.7 CCNCCNC(=O)C Z123868526 [0,1,0,0,0,0|2,0,1]=4 169 B8R0.7 CCOCCCC(=O)O Z316258950 [0,1,0,0,0,0|2,0,1]=4 170 B8R0.7 CCOCCNC(=O)N Z432417116 [0,1,0,0,0,0|2,0,1]=4 171 B8R0.7 CCSCCCC(=N)N Z1861964086 [0,1,0,0,0,0|1,0,1]=3 172 B8R0.7 CN(C)CCCCCN Z3247604067 [0,1,0,0,0,0|2,0,0]=3 173 B8R0.7 CN(C)CCCCCO Z968555516 [0,1,0,0,0,0|2,0,0]=3 174 B8R0.7 CN(C)CCNCCO Z137800968 [0,1,0,0,0,0|3,0,0]=4 175 B8R0.7 CNCCCCC(=O)O Z3034937142 [0,1,0,0,0,0|2,0,1]=4 176 B8R0.7 CNCCCCC(C)C Z5530305220 [0,1,0,0,0,0|1,0,0]=2 177 B8R0.7 CNCCCCN(C)C Z594229344 [0,1,0,0,0,0|2,0,0]=3 178 B8R0.7 CNCCCNC(=O)C Z1269638441 [0,1,0,0,0,0|2,0,1]=4 179 B8R0.7 COCCCCC(=O)O Z362633826 [0,1,0,0,0,0|2,0,1]=4 180 B8R0.7 COCCCNC(=N)N Z1269638449 [0,1,0,0,0,0|2,0,1]=4 181 B8R0.7 COCCCNC(=O)N Z56979275 [0,1,0,0,0,0|2,0,1]=4 182 B8R0.7 COCCCOC(=O)C Z1123440688 [0,1,0,0,0,0|2,0,1]=4 183 B8R0.7 COCCNCC(=O)N Z1262250392 [0,1,0,0,0,0|2,0,1]=4 184 B8R0.7 COCCNCC(C)C Z90501879 [0,1,0,0,0,0|2,0,0]=3 185 B8R0.7 COCCNCC(F)F Z1262327544 [0,1,0,0,0,0|3,0,0]=4 186 B8R0.7 COCCOCC(=O)C Z447894346 [0,1,0,0,0,0|2,0,1]=4 187 B8R0.7 COCCOCC(C)N Z1262237318 [0,1,0,0,0,0|1,0,0]=2 188 B8R0.7 CSCCCCC(=O)O Z732206636 [0,1,0,0,0,0|2,0,1]=4 189 B8R0.7 N=C(N)NCCCCN Z2472857139 [0,1,0,0,0,0|2,0,1]=4 190 B8R0.7 N=C(N)SCCCCN Z4741653362 [0,1,0,0,0,0|2,0,1]=4 191 B8R0.7 NCCCCCC(=O)O Z1272730910 [0,1,0,0,0,0|2,0,1]=4 192 B8R0.7 O=C(O)CCCCCBr Z104477716 [0,1,0,0,0,0|2,0,1]=4 193 B8R0.7 O=C(O)CCCCCF Z1205494157 [0,1,0,0,0,0|2,0,1]=4 194 B8R0.7 OCCCOCC(F)F Z1532734938 [0,1,0,0,0,0|3,0,0]=4 195 B8R0.8 CC(N)C(=O)NCCF Z1992147476 [0,1,0,0,0,0|2,0,1]=4 196 B8R0.8 CC(N)C(=O)NCCN Z1080379186 [0,1,0,0,0,0|2,0,1]=4 197 B8R0.8 CCCCC(C)C(=O)C Z727719632 [0,1,0,0,0,0|1,0,1]=3 198 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,1,0,0,0,0|2,0,1]=4 199 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,1,0,0,0,0|2,0,1]=4 200 B8R0.8 CCCCC(N)C(C)O Z2453175125 [0,1,0,0,0,0|1,0,0]=2 201 B8R0.8 CCCCC(O)C(=O)O Z803065156 [0,1,0,0,0,0|2,0,1]=4 202 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,1,0,0,0,0|2,0,1]=4 203 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,1,0,0,0,0|2,0,1]=4 204 B8R0.8 CCCNC(=O)C(C)Cl Z147652134 [0,1,0,0,0,0|2,0,1]=4 205 B8R0.8 CCCNC(=O)C(C)N Z89265000 [0,1,0,0,0,0|1,0,1]=3 206 B8R0.8 COCCC(=O)C(C)C Z818737942 [0,1,0,0,0,0|2,0,1]=4 207 B8R0.8 COCCC(N)C(C)C Z4913680141 [0,1,0,0,0,0|2,0,0]=3 208 B8R0.8 COCCC(O)C(C)C Z818738034 [0,1,0,0,0,0|2,0,0]=3 209 B8R0.8 C[C@H](N)C(=O)NCCO Z1398462031 [0,1,0,0,0,0|2,0,1]=4 210 B8R0.9 CC(C)CCC(N)CO Z1198179431 [0,1,0,0,0,0|2,0,0]=3 211 B8R0.9 CC(C)CCC(O)CO Z1617994519 [0,1,0,0,0,0|2,0,0]=3 212 B8R0.9 CC(C)COC(C)CO Z1896289316 [0,1,0,0,0,0|3,0,0]=4 213 B8R0.9 CC(C)NCC(O)CO Z385465736 [0,1,0,0,0,0|3,0,0]=4 214 B8R0.9 CC(O)CNC(C)CO Z600449192 [0,1,0,0,0,0|3,0,0]=4 215 B8R0.9 CCC(C)CCC(=O)C Z955111260 [0,1,0,0,0,0|1,0,1]=3 216 B8R0.9 CCC(C)CCC(=O)O Z955111774 [0,1,0,0,0,0|2,0,1]=4 217 B8R0.9 CCC(O)CCC(C)C Z838962512 [0,1,0,0,0,0|1,0,0]=2 218 B8R0.9 CNC(C)CCC(C)C Z5023051600 [0,1,0,0,0,0|2,0,0]=3 219 B8R0.9 COC(C)CNC(C)C Z991381618 [0,1,0,0,0,0|3,0,0]=4 220 B8R0.21 CC(C)(C)NCCCN Z56979399 [0,1,0,0,0,0|3,0,0]=4 221 B8R0.21 CC(C)(C)NCCCO Z1268152325 [0,1,0,0,0,0|3,0,0]=4 222 B8R0.21 CC(C)(C)SCCCN Z4381083105 [0,1,0,0,0,0|3,0,0]=4 223 B8R0.21 CC(C)(O)CCCCO Z1725965028 [0,1,0,0,0,0|2,0,0]=3 224 B8R0.21 CC(C)(O)COCCN Z1262687778 [0,1,0,0,0,0|3,0,0]=4 225 B8R0.21 CCCCCS(=O)(=O)N Z734461490 [0,1,0,0,0,0|2,0,0]=3 226 B8R0.21 CCCNCC(C)(C)O Z600453870 [0,1,0,0,0,0|2,0,0]=3 227 B8R0.21 CCCNCC(F)(F)F Z398556970 [0,1,0,0,0,0|3,0,0]=4 228 B8R0.21 CCNCCC(F)(F)F Z1262250865 [0,1,0,0,0,0|3,0,0]=4 229 B8R0.21 CCNCCS(=O)(=O)C Z235582846 [0,1,0,0,0,0|3,0,0]=4 230 B8R0.21 CCOCCS(=O)(=O)N Z425361008 [0,1,0,0,0,0|3,0,0]=4 231 B8R0.21 CNCCCC(F)(F)F Z3490369417 [0,1,0,0,0,0|3,0,0]=4 232 B8R0.21 CNCCCS(=O)(=O)C Z728931320 [0,1,0,0,0,0|3,0,0]=4 233 B8R0.21 COCCCS(=O)(=O)N Z734461458 [0,1,0,0,0,0|3,0,0]=4 234 B8R0.21 CS(=O)(=O)CCCCN Z2379802695 [0,1,0,0,0,0|3,0,0]=4 235 B8R0.21 NCCCCC(F)(F)F Z1198178580 [0,1,0,0,0,0|3,0,0]=4 236 B8R0.21 NCCCCS(=O)(=O)N Z2216303047 [0,1,0,0,0,0|3,0,0]=4 237 B8R0.21 OCCCCC(F)(F)F Z991547650 [0,1,0,0,0,0|3,0,0]=4 238 B8R0.28 CC(C)CCCC(=O)O Z426022098 [0,1,0,0,0,0|2,0,1]=4 239 B8R0.28 CC(C)CCNC(=N)N Z1089993920 [0,1,0,0,0,0|2,0,1]=4 240 B8R0.28 CC(C)CCNC(=O)N Z56904577 [0,1,0,0,0,0|2,0,1]=4 241 B8R0.28 CC(C)CCNC(=S)N Z56930716 [0,1,0,0,0,0|2,0,1]=4 242 B8R0.28 CC(C)CNCC(=O)N Z234894923 [0,1,0,0,0,0|2,0,1]=4 243 B8R0.28 CC(C)CNCC(C)C Z90514122 [0,1,0,0,0,0|2,0,0]=3 244 B8R0.28 CC(C)COCC(C)N Z1262398413 [0,1,0,0,0,0|1,0,0]=2 245 B8R0.28 CC(C)NCCN(C)C Z137545666 [0,1,0,0,0,0|3,0,0]=4 246 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [0,1,0,0,0,0|1,0,1]=3 247 B8R0.28 CC(N)COCC(=O)O Z3789755599 [0,1,0,0,0,0|2,0,1]=4 248 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [0,1,0,0,0,0|2,0,1]=4 249 B8R0.28 CC(O)CCCN(C)C Z902046982 [0,1,0,0,0,0|2,0,0]=3 250 B8R1.1 C#CC1CCC(C1)N Z3215421078 [0,0,0,1,0,0|0,0,2]=3 251 B8R1.1 C#C[C@H]1CC[C@H](C1)N Z4607393601 [0,0,0,1,0,0|0,0,2]=3 252 B8R1.1 CC1CCC(C1)C=O Z1268606446 [0,0,0,1,0,0|2,0,1]=4 253 B8R1.1 CC1CCC(O1)C#N Z1438313776 [0,0,0,1,0,0|2,0,1]=4 254 B8R1.1 CC1CCC(O1)CN Z1438307598 [0,0,0,1,0,0|2,0,0]=3 255 B8R1.1 CCC1CC(CN1)C Z1203749385 [0,0,0,1,0,0|2,0,0]=3 256 B8R1.1 CCC1CCC(=O)N1 Z1203731077 [0,0,0,1,0,0|1,0,1]=3 257 B8R1.1 CCC1CCC(N1)C Z1582263727 [0,0,0,1,0,0|0,0,0]=1 258 B8R1.1 CCC1CNC(=O)C1 Z1198235318 [0,0,0,1,0,0|2,0,1]=4 259 B8R1.1 CCC1COC(=N1)N Z3231924235 [0,0,0,1,0,0|2,0,1]=4 260 B8R1.1 CCN1CCC(C1)N Z415647776 [0,0,0,1,0,0|1,0,0]=2 261 B8R1.1 CN1CCC(C1)CN Z317026942 [0,0,0,1,0,0|3,0,0]=4 262 B8R1.1 CN1CCC(C1)CO Z976730728 [0,0,0,1,0,0|3,0,0]=4 263 B8R1.1 CNC1CCN(C1)C Z2867580880 [0,0,0,1,0,0|3,0,0]=4 264 B8R1.1 CO[C@@H]1CC[C@H](C1)N Z3282728045 [0,0,0,1,0,0|1,0,0]=2 265 B8R1.1 CSC1CCC(C1)N Z1245790495 [0,0,0,1,0,0|1,0,0]=2 266 B8R1.1 N#CC1CCC(C1)O Z1258995690 [0,0,0,1,0,0|2,0,1]=4 267 B8R1.1 N#C[C@H]1CC[C@H](C1)N Z2375429659 [0,0,0,1,0,0|1,0,1]=3 268 B8R1.1 NCC1CCC(=O)N1 Z1171481666 [0,0,0,1,0,0|2,0,1]=4 269 B8R1.1 NCC1CCC(C1)F Z3074473433 [0,0,0,1,0,0|2,0,0]=3 270 B8R1.1 O=C1CCC(N1)CO Z235344363 [0,0,0,1,0,0|2,0,1]=4 271 B8R1.1 O=C1CC[C@H](N1)CO Z235344345 [0,0,0,1,0,0|2,0,1]=4 272 B8R1.1 OCC1CC(CN1)F Z1753033006 [0,0,0,1,0,0|3,0,0]=4 273 B8R1.4 CC1=CC(CCC1)N Z3895215954 [0,0,0,1,0,0|0,0,2]=3 274 B8R1.4 CC1=CC(CCC1)O Z1255423437 [0,0,0,1,0,0|1,0,2]=4 275 B8R1.4 CC1=CC(CNC1)C Z1966484556 [0,0,0,1,0,0|2,0,1]=4 276 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [0,0,0,1,0,0|2,0,1]=4 277 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [0,0,0,1,0,0|2,0,1]=4 278 B8R1.4 CC1CC(CCN1)N Z3950506166 [0,0,0,1,0,0|1,0,0]=2 279 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,0,0,1,0,0|1,0,1]=3 280 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [0,0,0,1,0,0|1,0,1]=3 281 B8R1.4 CC1CCCC(C1)N Z367450918 [0,0,0,1,0,0|0,0,0]=1 282 B8R1.4 CC1CCCC(N1)C Z104474330 [0,0,0,1,0,0|0,0,0]=1 283 B8R1.4 CC1CCN=C(N1)N Z3512513301 [0,0,0,1,0,0|2,0,1]=4 284 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,0,0,1,0,0|2,0,1]=4 285 B8R1.4 CC1CN(CCN1)C Z1162470821 [0,0,0,1,0,0|3,0,0]=4 286 B8R1.4 CC1CNCC(=O)N1 Z1198172719 [0,0,0,1,0,0|2,0,1]=4 287 B8R1.4 CC1CNCC(C1)C Z104474332 [0,0,0,1,0,0|2,0,0]=3 288 B8R1.4 CC1CNCC(C1)O Z2255082098 [0,0,0,1,0,0|2,0,0]=3 289 B8R1.4 CC1CNCC(N1)C Z916970166 [0,0,0,1,0,0|1,0,0]=2 290 B8R1.4 CC1CNCC(O1)C Z104472602 [0,0,0,1,0,0|2,0,0]=3 291 B8R1.4 CC1CNCC(S1)C Z855784294 [0,0,0,1,0,0|2,0,0]=3 292 B8R1.4 CC1COCC(N1)C Z1255523283 [0,0,0,1,0,0|1,0,0]=2 293 B8R1.4 CC1CS(=O)CCN1 Z1227754708 [0,0,0,1,0,0|3,0,0]=4 294 B8R1.4 CN1CC(CCO1)O Z5948414894 [0,0,0,1,0,0|3,0,0]=4 295 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [0,0,0,1,0,0|2,0,1]=4 296 B8R1.4 CN1CCCC(C1)N Z600584196 [0,0,0,1,0,0|1,0,0]=2 297 B8R1.4 C[C@@H]1CCC[C@H](N1)C Z1925930354 [0,0,0,1,0,0|0,0,0]=1 298 B8R1.4 C[C@@H]1CCN[C@@H](C1)C Z2309899803 [0,0,0,1,0,0|2,0,0]=3 299 B8R1.4 C[C@@H]1CN(CCN1)C Z3379438692 [0,0,0,1,0,0|3,0,0]=4 300 B8R1.4 C[C@@H]1CNC[C@@H](C1)C Z2944520936 [0,0,0,1,0,0|2,0,0]=3 301 B8R1.4 C[C@@H]1CNC[C@@H](C1)O Z2301535259 [0,0,0,1,0,0|2,0,0]=3 302 B8R1.4 C[C@@H]1CNC[C@H](C1)O Z4073561603 [0,0,0,1,0,0|2,0,0]=3 303 B8R1.4 C[C@@H]1C[C@@H](CCN1)O Z2568671386 [0,0,0,1,0,0|2,0,0]=3 304 B8R1.4 C[C@@H]1C[C@H](CCO1)N Z4121905902 [0,0,0,1,0,0|1,0,0]=2 305 B8R1.4 C[C@H]1CCC[C@H](N1)C Z1203730759 [0,0,0,1,0,0|0,0,0]=1 306 B8R1.4 C[C@H]1CNC[C@H](N1)C Z1203730758 [0,0,0,1,0,0|1,0,0]=2 307 B8R1.4 C[C@H]1CNC[C@H](O1)C Z1203730781 [0,0,0,1,0,0|2,0,0]=3 308 B8R1.4 F[C@@H]1CNC[C@@H](C1)F Z4085231057 [0,0,0,1,0,0|3,0,0]=4 309 B8R1.4 NC1CCCC(C1)O Z2724335128 [0,0,0,1,0,0|1,0,0]=2 310 B8R1.4 NC1CNCC(C1)O Z4465943159 [0,0,0,1,0,0|2,0,0]=3 311 B8R1.4 N[C@@H]1CNC[C@@H](C1)N Z3175310488 [0,0,0,1,0,0|2,0,0]=3 312 B8R1.4 N[C@H]1CCC[C@H](C1)O Z1203578804 [0,0,0,1,0,0|1,0,0]=2 313 B8R1.4 O[C@@H]1CNC[C@@H](C1)F Z2525157521 [0,0,0,1,0,0|3,0,0]=4 314 B8R1.4 O[C@@H]1CNC[C@@H](C1)O Z1310777672 [0,0,0,1,0,0|3,0,0]=4 315 B8R1.6 CC1CC(C1)CCN Z4810246631 [0,0,0,1,0,0|2,0,0]=3 316 B8R1.6 CCCC1CC(=O)N1 Z1198168176 [0,0,0,1,0,0|1,0,1]=3 317 B8R1.6 CCOC1CC(C1)O Z1273088178 [0,0,0,1,0,0|2,0,0]=3 318 B8R1.6 CN1CC(C1)CCN Z2943477997 [0,0,0,1,0,0|3,0,0]=4 319 B8R1.6 CSCC1CC(C1)N Z3679305264 [0,0,0,1,0,0|1,0,0]=2 320 B8R1.6 N#CCC1CC(C1)N Z3766273422 [0,0,0,1,0,0|1,0,1]=3 321 B8R1.6 NCCC1CC(=O)C1 Z2681245722 [0,0,0,1,0,0|2,0,1]=4 322 B8R1.6 NCCC1CC(C1)O Z1868316842 [0,0,0,1,0,0|2,0,0]=3 323 B8R1.6 NCC[C@H]1C[C@H](C1)O Z2310717957 [0,0,0,1,0,0|2,0,0]=3 324 B8R1.7 CC(=O)C1CCCC1 Z513735352 [0,0,0,1,0,0|1,0,1]=3 325 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [0,0,0,1,0,0|2,0,1]=4 326 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [0,0,0,1,0,0|2,0,1]=4 327 B8R1.7 CC(C)C1CCNC1 Z1405445651 [0,0,0,1,0,0|2,0,0]=3 328 B8R1.7 CC(N)C1=NCCN1 Z2754060679 [0,0,0,1,0,0|2,0,1]=4 329 B8R1.7 CC(N)C1CCCC1 Z513797688 [0,0,0,1,0,0|0,0,0]=1 330 B8R1.7 CC(N)C1CCCN1 Z742893600 [0,0,0,1,0,0|1,0,0]=2 331 B8R1.7 CC(N)C1CCCO1 Z318730550 [0,0,0,1,0,0|1,0,0]=2 332 B8R1.7 CC(N)C1CCOC1 Z1982494014 [0,0,0,1,0,0|1,0,0]=2 333 B8R1.7 CC(O)C1CCNC1 Z1198184307 [0,0,0,1,0,0|2,0,0]=3 334 B8R1.7 CC(O)C1CCOC1 Z1138843471 [0,0,0,1,0,0|2,0,0]=3 335 B8R1.7 CC(O)[C@@H]1CCCN1 Z1203825201 [0,0,0,1,0,0|2,0,0]=3 336 B8R1.7 CN(C)C1CCNC1 Z336080084 [0,0,0,1,0,0|3,0,0]=4 337 B8R1.7 CN(C)[C@@H]1CCNC1 Z1198181845 [0,0,0,1,0,0|3,0,0]=4 338 B8R1.7 C[C@@H](O)C1CCOC1 Z1259149358 [0,0,0,1,0,0|2,0,0]=3 339 B8R1.7 C[C@H](O)C1CCOC1 Z1259149356 [0,0,0,1,0,0|2,0,0]=3 340 B8R1.7 FC(F)C1CCNC1 Z1357774215 [0,0,0,1,0,0|3,0,0]=4 341 B8R1.7 FC(F)[C@@H]1CCCN1 Z1692482620 [0,0,0,1,0,0|3,0,0]=4 342 B8R1.7 N=C(N)C1CCCC1 Z1266823290 [0,0,0,1,0,0|1,0,1]=3 343 B8R1.7 N=C(N)C1CCCO1 Z1582263149 [0,0,0,1,0,0|2,0,1]=4 344 B8R1.7 N=C(N)C1CCNC1 Z2865416914 [0,0,0,1,0,0|2,0,1]=4 345 B8R1.7 N=C(N)C1CCOC1 Z2787259146 [0,0,0,1,0,0|2,0,1]=4 346 B8R1.7 N=C(N)N1CCCC1 Z161313378 [0,0,0,1,0,0|2,0,1]=4 347 B8R1.7 NC(=O)C1CCCC1 Z33546657 [0,0,0,1,0,0|1,0,1]=3 348 B8R1.7 NC(=O)C1CCCN1 Z56945990 [0,0,0,1,0,0|2,0,1]=4 349 B8R1.7 NC(=O)C1CCCO1 Z33545380 [0,0,0,1,0,0|2,0,1]=4 350 B8R1.7 NC(=O)C1CCNC1 Z1198394223 [0,0,0,1,0,0|2,0,1]=4 351 B8R1.7 NC(=O)C1CCOC1 Z802555342 [0,0,0,1,0,0|2,0,1]=4 352 B8R1.7 NC(=O)N1CCCC1 Z56907605 [0,0,0,1,0,0|2,0,1]=4 353 B8R1.7 NC(=S)N1CCCC1 Z55928944 [0,0,0,1,0,0|2,0,1]=4 354 B8R1.7 O=C(O)C1CCCC1 Z104476116 [0,0,0,1,0,0|2,0,1]=4 355 B8R1.7 OB(O)C1CCCC1 Z1147227731 [0,0,0,1,0,0|3,0,0]=4 356 B8R1.9 C[C@@H]1C[C@@H]1CCC=O Z4130582680 [0,0,0,1,0,0|2,0,1]=4 357 B8R1.9 C[C@@H]1C[C@H]1CCCN Z4081421787 [0,0,0,1,0,0|2,0,0]=3 358 B8R1.19 CC1(CCCC1=O)C Z1238544226 [0,0,0,1,0,0|2,0,1]=4 359 B8R1.19 CC1(CCNC1=O)N Z2718904456 [0,0,0,1,0,0|2,0,1]=4 360 B8R1.19 CC1(CCOC1=O)N Z1509069031 [0,0,0,1,0,0|2,0,1]=4 361 B8R1.19 CC1(CNCC1O)C Z1925930473 [0,0,0,1,0,0|3,0,0]=4 362 B8R1.19 CC1CCCC1(C)N Z1509036056 [0,0,0,1,0,0|0,0,0]=1 363 B8R1.19 CC1CCNC1(C)C Z4775586804 [0,0,0,1,0,0|2,0,0]=3 364 B8R1.19 CC1NCCC1(C)C Z3016741300 [0,0,0,1,0,0|2,0,0]=3 365 B8R1.19 C[C@]1(CCC[C@H]1O)O Z3037315217 [0,0,0,1,0,0|2,0,0]=3 366 B8R1.20 CC(C)C[C@@H]1C[C@H]1N Z2286708089 [0,0,0,1,0,0|2,0,0]=3 367 B8R1.22 CC1CCCCNC1 Z1723849152 [0,0,0,1,0,0|2,0,0]=3 368 B8R1.22 CC1CCCNCC1 Z425362298 [0,0,0,1,0,0|2,0,0]=3 369 B8R1.22 CC1CCNCCN1 Z3006266627 [0,0,0,1,0,0|1,0,0]=2 370 B8R1.22 CC1CCNCCO1 Z2855997854 [0,0,0,1,0,0|2,0,0]=3 371 B8R1.22 CC1CCNCCS1 Z1270499064 [0,0,0,1,0,0|2,0,0]=3 372 B8R1.22 CC1CCOCCN1 Z2940715295 [0,0,0,1,0,0|1,0,0]=2 373 B8R1.22 CC1CCSCCN1 Z1839475384 [0,0,0,1,0,0|1,0,0]=2 374 B8R1.22 CC1CNCCCN1 Z1203732447 [0,0,0,1,0,0|1,0,0]=2 375 B8R1.22 CC1CNCCCO1 Z425722880 [0,0,0,1,0,0|2,0,0]=3 376 B8R1.22 CC1CNCCOC1 Z1216819166 [0,0,0,1,0,0|3,0,0]=4 377 B8R1.22 CC1CNCCSC1 Z1270496770 [0,0,0,1,0,0|3,0,0]=4 378 B8R1.22 CC1COCCCN1 Z1216819161 [0,0,0,1,0,0|1,0,0]=2 379 B8R1.22 CC1CSCCCN1 Z2895198847 [0,0,0,1,0,0|1,0,0]=2 380 B8R1.22 CN1CCCNCC1 Z104479254 [0,0,0,1,0,0|3,0,0]=4 381 B8R1.22 FC1CCCNCC1 Z1255416656 [0,0,0,1,0,0|2,0,0]=3 382 B8R1.22 FC1CNCCOC1 Z4924614783 [0,0,0,1,0,0|3,0,0]=4 383 B8R1.22 NC1CCC=CCC1 Z2824346881 [0,0,0,1,0,0|0,0,2]=3 384 B8R1.22 NC1CCCCCC1 Z104477488 [0,0,0,1,0,0|0,0,0]=1 385 B8R1.22 NC1CCCSCC1 Z3102941972 [0,0,0,1,0,0|1,0,0]=2 386 B8R1.22 NC1COCCOC1 Z1463350443 [0,0,0,1,0,0|2,0,0]=3 387 B8R1.22 NC1CSCCSC1 Z4628238517 [0,0,0,1,0,0|2,0,0]=3 388 B8R1.22 O=C1CCCCCC1 Z104473100 [0,0,0,1,0,0|1,0,1]=3 389 B8R1.22 O=C1CCNCCN1 Z119989554 [0,0,0,1,0,0|2,0,1]=4 390 B8R1.22 O=C1CCOCCN1 Z821098578 [0,0,0,1,0,0|2,0,1]=4 391 B8R1.22 O=C1CCSCCN1 Z1198315286 [0,0,0,1,0,0|2,0,1]=4 392 B8R1.22 O=C1CNCCCN1 Z2756332573 [0,0,0,1,0,0|2,0,1]=4 393 B8R1.22 O=C1COCCCN1 Z1203733065 [0,0,0,1,0,0|2,0,1]=4 394 B8R1.22 OC1CCCNCC1 Z1198309797 [0,0,0,1,0,0|2,0,0]=3 395 B8R1.22 OC1CNCCOC1 Z2234631219 [0,0,0,1,0,0|3,0,0]=4 396 B8R1.27 COCC1OC1(C)C Z4188724290 [0,0,0,1,0,0|3,0,0]=4 397 B8R1.27 NCCC1CC1(Br)Br Z4924558261 [0,0,0,1,0,0|3,0,0]=4 398 B8R1.27 NCCC1CC1(Cl)Cl Z2592744050 [0,0,0,1,0,0|3,0,0]=4 399 B8R1.27 NCCC1CC1(F)F Z2310670931 [0,0,0,1,0,0|3,0,0]=4 400 B8R1.31 CN(C)[C@@H]1CC[C@H]1N Z2568757699 [0,0,0,1,0,0|3,0,0]=4 401 B8R1.34 CC(=O)CC1CCC1 Z1263592386 [0,0,0,1,0,0|1,0,1]=3 402 B8R1.34 CC(C)NC1CCC1 Z1250100767 [0,0,0,1,0,0|2,0,0]=3 403 B8R1.34 CC(N)CC1CCC1 Z2724375312 [0,0,0,1,0,0|0,0,0]=1 404 B8R1.34 CN(C)CC1CNC1 Z1198219443 [0,0,0,1,0,0|3,0,0]=4 405 B8R1.34 N=C(N)CC1CCC1 Z1642389696 [0,0,0,1,0,0|1,0,1]=3 406 B8R1.34 N=C(N)NC1CCC1 Z979785416 [0,0,0,1,0,0|2,0,1]=4 407 B8R1.34 NC(=O)CC1CNC1 Z1459435453 [0,0,0,1,0,0|2,0,1]=4 408 B8R1.34 NC(=O)NC1CCC1 Z979783478 [0,0,0,1,0,0|2,0,1]=4 409 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [0,0,0,1,0,0|2,0,1]=4 410 B8R1.35 CC(=O)CCC1CC1 Z1233207768 [0,0,0,1,0,0|1,0,1]=3 411 B8R1.35 CC(C)CCC1CO1 Z1495386123 [0,0,0,1,0,0|2,0,0]=3 412 B8R1.35 CC(C)CNC1CC1 Z324553132 [0,0,0,1,0,0|2,0,0]=3 413 B8R1.35 CC(C)OCC1CO1 Z147642824 [0,0,0,1,0,0|3,0,0]=4 414 B8R1.35 CC(C)OC[C@@H]1CO1 Z1993604786 [0,0,0,1,0,0|3,0,0]=4 415 B8R1.35 CC(C)OC[C@H]1CO1 Z1993604787 [0,0,0,1,0,0|3,0,0]=4 416 B8R1.35 FC(F)CNC1CC1 Z1266823253 [0,0,0,1,0,0|3,0,0]=4 417 B8R1.35 NC(=O)CNC1CC1 Z104875198 [0,0,0,1,0,0|2,0,1]=4 418 B8R1.35 NC(=O)NCC1CC1 Z247615948 [0,0,0,1,0,0|2,0,1]=4 419 B8R1.35 O=[N+]([O-])CCC1CC1 Z2732442774 [0,0,0,1,0,0|3,0,0]=4 420 B8R1.36 BrCCOCC1CO1 Z3038215664 [0,0,0,1,0,0|3,0,0]=4 421 B8R1.36 CCCCNC1CC1 Z361993970 [0,0,0,1,0,0|2,0,0]=3 422 B8R1.36 CCNCCC1CC1 Z826524836 [0,0,0,1,0,0|2,0,0]=3 423 B8R1.36 CCOCCC1CO1 Z1495386137 [0,0,0,1,0,0|2,0,0]=3 424 B8R1.36 COCCNC1CC1 Z1708090045 [0,0,0,1,0,0|3,0,0]=4 425 B8R1.36 NCCCOC1CC1 Z5593566245 [0,0,0,1,0,0|3,0,0]=4 426 B8R1.36 NCCNCC1CC1 Z2941505334 [0,0,0,1,0,0|3,0,0]=4 427 B8R1.36 NCCOCC1CC1 Z1266854848 [0,0,0,1,0,0|3,0,0]=4 428 B8R1.36 NCCSCC1CC1 Z431958616 [0,0,0,1,0,0|3,0,0]=4 429 B8R1.36 O=CCCCC1CC1 Z1511869605 [0,0,0,1,0,0|2,0,1]=4 430 B8R1.36 OCCCNC1CC1 Z138414456 [0,0,0,1,0,0|3,0,0]=4 431 B8R1.36 OCCNCC1CC1 Z335251956 [0,0,0,1,0,0|3,0,0]=4 432 B8R1.36 OCCOCC1CC1 Z854231442 [0,0,0,1,0,0|3,0,0]=4 433 B8R1.36 OCCOCC1CO1 Z332379868 [0,0,0,1,0,0|3,0,0]=4 434 B8R1.43 CC(C)[C@@H]1C[C@H]1CN Z2235814456 [0,0,0,1,0,0|2,0,0]=3 435 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [0,0,0,1,0,0|2,0,1]=4 436 B8R1.43 NC[C@@H]1C[C@H]1C(F)F Z3481839763 [0,0,0,1,0,0|3,0,0]=4 437 B8R1.72 CC1(C=CCCC1)O Z1691624687 [0,0,0,1,0,0|1,0,2]=4 438 B8R1.72 CC1(CC=CCC1)N Z2286631083 [0,0,0,1,0,0|0,0,2]=3 439 B8R1.72 CC1(CCCCC1)N Z752370810 [0,0,0,1,0,0|0,0,0]=1 440 B8R1.72 CC1(CCCCC1)O Z449370586 [0,0,0,1,0,0|1,0,0]=2 441 B8R1.72 CC1(CCCCN1)C Z3243651326 [0,0,0,1,0,0|2,0,0]=3 442 B8R1.72 CC1(CCCNC1)C Z1182379631 [0,0,0,1,0,0|2,0,0]=3 443 B8R1.72 CC1(CCCOC1)N Z1582263087 [0,0,0,1,0,0|1,0,0]=2 444 B8R1.72 CC1(CCNCC1)C Z1198394222 [0,0,0,1,0,0|2,0,0]=3 445 B8R1.72 CC1(CCNCC1)F Z2738358281 [0,0,0,1,0,0|2,0,0]=3 446 B8R1.72 CC1(CCNCC1)O Z1416200885 [0,0,0,1,0,0|2,0,0]=3 447 B8R1.72 CC1(CNCCO1)C Z374049350 [0,0,0,1,0,0|3,0,0]=4 448 B8R1.72 CC1(CNCCS1)C Z1203749178 [0,0,0,1,0,0|3,0,0]=4 449 B8R1.72 CC1(COCOC1)C Z1198147441 [0,0,0,1,0,0|3,0,0]=4 450 B8R1.72 CC1(CSCCN1)C Z1203747824 [0,0,0,1,0,0|3,0,0]=4 451 B8R1.72 FC1(CCCNC1)F Z1203161889 [0,0,0,1,0,0|3,0,0]=4 452 B8R1.72 FC1(CCNCC1)F Z1741959990 [0,0,0,1,0,0|3,0,0]=4 453 B8R1.72 N=S1(=O)CCCCC1 Z2941529962 [0,0,0,1,0,0|2,0,1]=4 454 B5R0.1 C#CCC(C)N Z3490223481 [2,0,0,0,0,0|0,0,2]=4 455 B5R0.1 C=CCC(C)N Z1269638561 [2,0,0,0,0,0|0,0,2]=4 456 B5R0.1 CC(C)CCO Z104473558 [2,0,0,0,0,0|2,0,0]=4 457 B5R0.1 CC(N)CC#N Z1267773800 [2,0,0,0,0,0|1,0,1]=4 458 B5R0.1 CC(N)CCO Z385458430 [2,0,0,0,0,0|1,0,0]=3 459 B5R0.1 CC(O)CCN Z802904114 [2,0,0,0,0,0|2,0,0]=4 460 B5R0.1 CC(O)CCO Z104473530 [2,0,0,0,0,0|2,0,0]=4 461 B5R0.1 CCCC(=N)N Z1198394172 [2,0,0,0,0,0|1,0,1]=4 462 B5R0.1 CCCC(=O)N Z33546461 [2,0,0,0,0,0|1,0,1]=4 463 B5R0.1 CCCC(C)N Z2417819590 [2,0,0,0,0,0|0,0,0]=2 464 B5R0.1 CNCC(C)C Z951367674 [2,0,0,0,0,0|2,0,0]=4 465 B5R0.1 CNCC(C)N Z1413780485 [2,0,0,0,0,0|1,0,0]=3 466 B5R0.1 CNCC(C)O Z138692700 [2,0,0,0,0,0|2,0,0]=4 467 B5R0.1 COCC(C)O Z825742124 [2,0,0,0,0,0|2,0,0]=4 468 B5R0.1 COC[C@@H](C)N Z1270482298 [2,0,0,0,0,0|1,0,0]=3 469 B5R0.1 COC[C@H](C)N Z1270502316 [2,0,0,0,0,0|1,0,0]=3 470 B5R0.1 CSCC(C)O Z732208306 [2,0,0,0,0,0|2,0,0]=4 471 B5R0.1 C[C@@H](N)CCO Z1526453858 [2,0,0,0,0,0|1,0,0]=3 472 B5R0.1 C[C@@H](O)CCN Z1860991703 [2,0,0,0,0,0|2,0,0]=4 473 B5R0.2 C#CCCCN Z1945700461 [2,0,0,0,0,0|0,0,2]=4 474 B5R0.2 C/C=C/CCN Z1268152372 [2,0,0,0,0,0|0,0,2]=4 475 B5R0.2 C=CCCCN Z993058434 [2,0,0,0,0,0|0,0,2]=4 476 B5R0.2 CCC#CCN Z4935566672 [2,0,0,0,0,0|0,0,2]=4 477 B5R0.2 CCCCC=O Z104472992 [2,0,0,0,0,0|1,0,1]=4 478 B5R0.2 CCCCCN Z104472246 [2,0,0,0,0,0|0,0,0]=2 479 B5R0.2 CCCNCC Z138446288 [2,0,0,0,0,0|1,0,0]=3 480 B5R0.2 CCNCCF Z1198305484 [2,0,0,0,0,0|2,0,0]=4 481 B5R0.2 CCNCCO Z1258992395 [2,0,0,0,0,0|2,0,0]=4 482 B5R0.2 CCNOCC Z223690220 [2,0,0,0,0,0|2,0,0]=4 483 B5R0.2 CCOCCN Z271005962 [2,0,0,0,0,0|1,0,0]=3 484 B5R0.2 CCOCCO Z104473122 [2,0,0,0,0,0|2,0,0]=4 485 B5R0.2 CCSCCN Z3061111063 [2,0,0,0,0,0|1,0,0]=3 486 B5R0.2 CNCCCO Z104756980 [2,0,0,0,0,0|2,0,0]=4 487 B5R0.2 CNCCOC Z1259162131 [2,0,0,0,0,0|2,0,0]=4 488 B5R0.2 CNCCSC Z1398461959 [2,0,0,0,0,0|2,0,0]=4 489 B5R0.2 COCCCO Z431517702 [2,0,0,0,0,0|2,0,0]=4 490 B5R0.2 COCCOC Z104473014 [2,0,0,0,0,0|2,0,0]=4 491 B5R0.2 N#CCCCN Z1649677743 [2,0,0,0,0,0|1,0,1]=4 492 B5R0.2 NCCCCF Z2177031126 [2,0,0,0,0,0|1,0,0]=3 493 B5R0.2 NCCCCN Z104472592 [2,0,0,0,0,0|1,0,0]=3 494 B7R0.2 CC(C)CC(C)CO Z1198147790 [1,1,0,0,0,0|2,0,0]=4 495 B7R0.2 CC(C)CC(N)CN Z425861052 [1,1,0,0,0,0|2,0,0]=4 496 B7R0.2 CC(C)CC(N)CO Z734151210 [1,1,0,0,0,0|2,0,0]=4 497 B7R0.2 CC(C)CC(O)CN Z1259162114 [1,1,0,0,0,0|2,0,0]=4 498 B7R0.2 CC(O)CC(C)CN Z1245536559 [1,1,0,0,0,0|2,0,0]=4 499 B7R0.2 CCC(C)CC(C)N Z2472857681 [1,1,0,0,0,0|0,0,0]=2 500 B7R0.2 CNC(=O)CC(C)N Z1457935170 [1,1,0,0,0,0|1,0,1]=4 501 B7R0.2 COC(=O)CC(C)N Z169856728 [1,1,0,0,0,0|1,0,1]=4 502 B7R0.3 C/C=C/CC(N)CO Z1718361642 [1,1,0,0,0,0|0,0,2]=4 503 B7R0.3 CC(CN)CCCO Z2234185702 [1,1,0,0,0,0|1,0,0]=3 504 B7R0.3 CCC(N)CCOC Z818738108 [1,1,0,0,0,0|1,0,0]=3 505 B7R0.3 CCC(O)CCCN Z1259162031 [1,1,0,0,0,0|2,0,0]=4 506 B7R0.3 CCCCC(=O)CC Z406378226 [1,1,0,0,0,0|1,0,1]=4 507 B7R0.3 CCCCC(C)NC Z446022384 [1,1,0,0,0,0|0,0,0]=2 508 B7R0.3 CCCCC(N)CC Z3303777618 [1,1,0,0,0,0|0,0,0]=2 509 B7R0.3 CCCCC(N)CN Z756921038 [1,1,0,0,0,0|0,0,0]=2 510 B7R0.3 CCCCN(C)N=O Z1198149449 [1,1,0,0,0,0|1,0,1]=4 511 B7R0.3 CCNCC(C)C#N Z235583744 [1,1,0,0,0,0|1,0,1]=4 512 B7R0.3 CCNCC(C)CC Z335456758 [1,1,0,0,0,0|2,0,0]=4 513 B7R0.3 CCNCC(O)CC Z600449680 [1,1,0,0,0,0|2,0,0]=4 514 B7R0.3 CCOCC(O)CN Z271097110 [1,1,0,0,0,0|2,0,0]=4 515 B7R0.3 CCOCC(O)CO Z1178483452 [1,1,0,0,0,0|2,0,0]=4 516 B7R0.3 CCSCC(C)NC Z1238713281 [1,1,0,0,0,0|1,0,0]=3 517 B7R0.3 COCCC(C)CN Z879061310 [1,1,0,0,0,0|1,0,0]=3 518 B7R0.5 CC(C)C(C)CCN Z4760484132 [1,1,0,0,0,0|2,0,0]=4 519 B7R0.5 CC(C)C(N)CCO Z979743766 [1,1,0,0,0,0|2,0,0]=4 520 B7R0.5 CC(C)C(O)CCN Z1203588096 [1,1,0,0,0,0|2,0,0]=4 521 B7R0.5 CC(C)C(O)CCO Z1532770488 [1,1,0,0,0,0|2,0,0]=4 522 B7R0.5 CCCC(C)C(C)N Z2737299926 [1,1,0,0,0,0|0,0,0]=2 523 B7R0.5 CCNC(=O)C(C)N Z89265773 [1,1,0,0,0,0|1,0,1]=4 524 B7R0.5 CCNC(C)C(C)C Z910842872 [1,1,0,0,0,0|2,0,0]=4 525 B7R0.5 CNCC(C)C(C)C Z3894049929 [1,1,0,0,0,0|2,0,0]=4 526 B7R0.5 CNCC(N)C(C)C Z756920458 [1,1,0,0,0,0|2,0,0]=4 527 B7R0.5 COCC(N)C(C)C Z825742262 [1,1,0,0,0,0|2,0,0]=4 528 B7R0.6 CC(C)CCC(=N)N Z2522503133 [1,1,0,0,0,0|1,0,1]=4 529 B7R0.6 CC(C)CNC(C)C Z361996484 [1,1,0,0,0,0|2,0,0]=4 530 B7R0.6 CC(N)CCC(=O)O Z1235963367 [1,1,0,0,0,0|1,0,1]=4 531 B7R0.6 CC(N)CCC(F)F Z2737504348 [1,1,0,0,0,0|1,0,0]=3 532 B7R0.6 CC(N)CCN(C)C Z316119490 [1,1,0,0,0,0|1,0,0]=3 533 B7R0.6 CC(N)CCS(=O)C Z1269750451 [1,1,0,0,0,0|1,0,0]=3 534 B7R0.6 CC(O)CNC(C)C Z138692704 [1,1,0,0,0,0|2,0,0]=4 535 B7R0.8 CC(C)(C)CCCN Z819989370 [1,1,0,0,0,0|2,0,0]=4 536 B7R0.8 CC(C)(C)CCCO Z1183459256 [1,1,0,0,0,0|2,0,0]=4 537 B7R0.8 CC(C)(N)CCCN Z1184860919 [1,1,0,0,0,0|1,0,0]=3 538 B7R0.8 CC(C)(O)CCCO Z1255438724 [1,1,0,0,0,0|2,0,0]=4 539 B7R0.8 CC(F)(F)CCCN Z2230911371 [1,1,0,0,0,0|2,0,0]=4 540 B7R0.8 CCCCC(C)(C)N Z4437707785 [1,1,0,0,0,0|0,0,0]=2 541 B7R0.8 CCCCS(=O)(=O)N Z55264566 [1,1,0,0,0,0|2,0,0]=4 542 B7R0.8 CCCNC(C)(C)C Z744754558 [1,1,0,0,0,0|2,0,0]=4 543 B7R0.8 CCNCC(C)(C)O Z600453556 [1,1,0,0,0,0|2,0,0]=4 544 B7R0.8 CNCCC(C)(C)C Z2380417739 [1,1,0,0,0,0|2,0,0]=4 545 B7R0.8 CNCCC(C)(C)N Z2313105672 [1,1,0,0,0,0|1,0,0]=3 546 B7R0.8 COCCC(C)(C)N Z879061970 [1,1,0,0,0,0|1,0,0]=3 547 B7R0.1 C#CCOCCCN Z4502872707 [1,1,0,0,0,0|0,0,2]=4 548 B7R0.1 CC#CCCCCO Z1233226212 [1,1,0,0,0,0|0,0,2]=4 549 B7R0.1 CCCCCCCO Z104473596 [1,1,0,0,0,0|0,0,0]=2 550 B7R0.1 CCCCCCNC Z5419328797 [1,1,0,0,0,0|0,0,0]=2 551 B7R0.1 CCCCOCCN Z409191398 [1,1,0,0,0,0|0,0,0]=2 552 B7R0.1 CCCOCCCO Z1080358966 [1,1,0,0,0,0|1,0,0]=3 553 B7R0.1 CCNCCOCC Z138138014 [1,1,0,0,0,0|1,0,0]=3 554 B7R0.1 CCOCCCC#N Z295205414 [1,1,0,0,0,0|0,0,2]=4 555 B7R0.1 CCOCCCCO Z993012560 [1,1,0,0,0,0|1,0,0]=3 556 B7R0.1 CCSCCCC#N Z332378682 [1,1,0,0,0,0|0,0,2]=4 557 B7R0.1 CNCCCCCN Z4097840720 [1,1,0,0,0,0|0,0,0]=2 558 B7R0.1 CNCCCCOC Z875082126 [1,1,0,0,0,0|1,0,0]=3 559 B7R0.1 COCCCCC#N Z815260498 [1,1,0,0,0,0|0,0,2]=4 560 B7R0.1 COCCCCCN Z608347192 [1,1,0,0,0,0|0,0,0]=2 561 B7R0.1 COCCCCCO Z993012416 [1,1,0,0,0,0|1,0,0]=3 562 B7R0.1 COCCNCCF Z2512872814 [1,1,0,0,0,0|2,0,0]=4 563 B7R0.1 COCCNCCN Z2940670642 [1,1,0,0,0,0|1,0,0]=3 564 B7R0.1 COCCNCCO Z266088374 [1,1,0,0,0,0|2,0,0]=4 565 B7R0.1 COCCOCCN Z285178622 [1,1,0,0,0,0|1,0,0]=3 566 B7R0.1 COCCOCCO Z849748688 [1,1,0,0,0,0|2,0,0]=4 567 B7R0.1 CSCCCCC#N Z823282284 [1,1,0,0,0,0|0,0,2]=4 568 B7R0.1 CSCCCCCN Z823285026 [1,1,0,0,0,0|0,0,0]=2 569 B7R0.1 CSCCCCCO Z968557058 [1,1,0,0,0,0|1,0,0]=3 570 B7R0.1 CSCCCCSC Z1198148193 [1,1,0,0,0,0|1,0,0]=3 571 B7R0.1 ClCCCNCCCl Z2242062238 [1,1,0,0,0,0|2,0,0]=4 572 B7R0.1 NCCCCCCN Z104473514 [1,1,0,0,0,0|0,0,0]=2 573 B7R0.1 NCCOCCCO Z2044949087 [1,1,0,0,0,0|1,0,0]=3 574 B7R0.1 NCCSCCCO Z406685362 [1,1,0,0,0,0|1,0,0]=3 575 B7R0.1 OCCCCCCBr Z1255398867 [1,1,0,0,0,0|1,0,0]=3 576 B7R0.1 OCCCCCCO Z104473540 [1,1,0,0,0,0|1,0,0]=3 577 B7R0.1 OCCCNCCO Z104654390 [1,1,0,0,0,0|2,0,0]=4 578 B7R0.1 OCCCOCCO Z1373668758 [1,1,0,0,0,0|2,0,0]=4 579 B7R0.1 OCCCSCCO Z149155194 [1,1,0,0,0,0|2,0,0]=4 580 B7R0.7 CCCC(C)CCN Z2768767726 [1,1,0,0,0,0|0,0,0]=2 581 B7R0.7 CCCC(C)CNC Z3214687920 [1,1,0,0,0,0|1,0,0]=3 582 B7R0.7 CCCC(O)CCO Z1198158209 [1,1,0,0,0,0|1,0,0]=3 583 B7R0.7 CCNC(=O)CCN Z1449756826 [1,1,0,0,0,0|1,0,1]=4 584 B7R0.7 CCNC(C)COC Z1245537976 [1,1,0,0,0,0|2,0,0]=4 585 B7R0.7 CCOC(C)OCC Z104476998 [1,1,0,0,0,0|2,0,0]=4 586 B7R0.7 CNCC(C)COC Z905006554 [1,1,0,0,0,0|2,0,0]=4 587 B7R0.7 CNCC(O)COC Z406679976 [1,1,0,0,0,0|2,0,0]=4 588 B7R0.7 COCC(N)CCO Z1238548168 [1,1,0,0,0,0|2,0,0]=4 589 B7R0.7 COCC(O)CCN Z1182310348 [1,1,0,0,0,0|1,0,0]=3 590 B7R0.7 NCCC(N)CCN Z4461966452 [1,1,0,0,0,0|1,0,0]=3 591 B7R0.7 NCCC(O)CCN Z4497194547 [1,1,0,0,0,0|1,0,0]=3 592 B9R0.14 CC(C)CC(CN)CCO Z1270248810 [0,2,0,0,0,0|2,0,0]=4 593 B9R0.23 CCC(=O)C(C)CC(C)C Z1138187020 [0,2,0,0,0,0|1,0,1]=4 594 B9R0.23 CCC(N)C(C)CN(C)C Z4870681119 [0,2,0,0,0,0|2,0,0]=4 595 B9R0.34 CCCC(N)CC(=O)OC Z1582263053 [0,2,0,0,0,0|1,0,1]=4 596 B9R0.34 CCOC(=O)CC(C)CN Z1569708806 [0,2,0,0,0,0|1,0,1]=4 597 B9R0.44 CCCC(C)CS(=O)(=O)N Z954606808 [0,2,0,0,0,0|2,0,0]=4 598 B9R0.44 CCCN(C)CC(C)(C)N Z801831774 [0,2,0,0,0,0|1,0,0]=3 599 B9R0.44 COCC(N)CC(C)(C)C Z1333209148 [0,2,0,0,0,0|2,0,0]=4 600 B9R0.53 CC(C)CC(C)CC(C)C Z1255415595 [0,2,0,0,0,0|1,0,0]=3 601 B9R0.53 CC(C)CC(C)CC(C)O Z1238571962 [0,2,0,0,0,0|1,0,0]=3 602 B9R0.53 CC(C)CC(N)CC(C)C Z1263714098 [0,2,0,0,0,0|1,0,0]=3 603 B9R0.53 CC(N)CC(=O)NC(C)C Z594220276 [0,2,0,0,0,0|1,0,1]=4 604 B9R0.1 CC(C)CCCC(C)CN Z5875145536 [0,2,0,0,0,0|0,0,0]=2 605 B9R0.1 CC(C)COCC(O)CN Z285181512 [0,2,0,0,0,0|2,0,0]=4 606 B9R0.5 CCCCCC(O)CCO Z1198158015 [0,2,0,0,0,0|1,0,0]=3 607 B9R0.5 COCCCN(C)CCN Z608346606 [0,2,0,0,0,0|2,0,0]=4 608 B9R0.8 CCCCC(N)C(=O)NO Z1184862892 [0,2,0,0,0,0|1,0,1]=4 609 B9R0.8 CCCCC(N)C(=O)OC Z1675167157 [0,2,0,0,0,0|1,0,1]=4 610 B9R0.20 CCCCCC(C)(C)CN Z995183114 [0,2,0,0,0,0|0,0,0]=2 611 B9R0.46 CCCCCCC(C)CO Z1238840360 [0,2,0,0,0,0|1,0,0]=3 612 B9R0.46 CCCCCCC(C)NN Z1691545122 [0,2,0,0,0,0|0,0,0]=2 613 B9R0.46 CCCCCCC(C)OC Z1416182763 [0,2,0,0,0,0|1,0,0]=3 614 B9R0.46 CCCCCCC(N)CC Z5869944669 [0,2,0,0,0,0|0,0,0]=2 615 B9R0.46 CCCCCNC(=N)NN Z2188867845 [0,2,0,0,0,0|1,0,1]=4 616 B9R0.46 CCCCCNC(=O)CCl Z147647946 [0,2,0,0,0,0|1,0,1]=4 617 B9R0.46 CCCCCNC(=O)NN Z234895165 [0,2,0,0,0,0|1,0,1]=4 618 B9R0.46 CCCCCNC(=S)NN Z56347306 [0,2,0,0,0,0|1,0,1]=4 619 B9R0.46 CNCCCCC(=O)NC Z5446045777 [0,2,0,0,0,0|1,0,1]=4 620 B9R0.46 COC(=O)CCCCCN Z57012282 [0,2,0,0,0,0|1,0,1]=4 621 B9R0.47 CC(C)N(C)CCCCN Z285162634 [0,2,0,0,0,0|2,0,0]=4 622 B9R0.47 CCCCCC(O)C(=O)O Z788000584 [0,2,0,0,0,0|1,0,1]=4 623 B9R0.47 CCCCNC(=S)N(C)N Z56862767 [0,2,0,0,0,0|1,0,1]=4 624 B9R0.47 CCCCOC(C)C(=O)O Z409190966 [0,2,0,0,0,0|2,0,0]=4 625 B9R0.47 CCCCSC(C)C(=O)O Z149191762 [0,2,0,0,0,0|2,0,0]=4 626 B9R0.47 CCCSCC(N)C(=O)O Z444349874 [0,2,0,0,0,0|1,0,1]=4 627 B9R0.47 COCCCC(N)C(=O)O Z1428160326 [0,2,0,0,0,0|1,0,1]=4 628 B9R0.47 COCCNC(C)C(=O)N Z1263820333 [0,2,0,0,0,0|2,0,0]=4 629 B9R0.47 CSCCCC(N)C(=O)O Z3274997631 [0,2,0,0,0,0|1,0,1]=4 630 B9R0.47 NCCCCC(N)C(=O)O Z57127389 [0,2,0,0,0,0|1,0,1]=4 631 B9R0.47 NCCCC[C@H](N)C(=O)O Z812534818 [0,2,0,0,0,0|1,0,1]=4 632 B9R0.50 CCC(CC)CCCNC Z2573039211 [0,2,0,0,0,0|2,0,0]=4 633 B9R0.2 CC(C)CCNCCC#N Z53117023 [0,2,0,0,0,0|1,0,1]=4 634 B9R0.2 CC(C)CCOCCC#N Z317037852 [0,2,0,0,0,0|1,0,1]=4 635 B9R0.2 CC(C)NCCOCCN Z1323539861 [0,2,0,0,0,0|2,0,0]=4 636 B9R0.2 CC(C)NCCOCCO Z2017842782 [0,2,0,0,0,0|2,0,0]=4 637 B9R0.2 CCCCCCNC(=S)N Z55992996 [0,2,0,0,0,0|1,0,1]=4 638 B9R0.2 CCCCCNCC(=O)N Z104536260 [0,2,0,0,0,0|1,0,1]=4 639 B9R0.2 CCCNCCCN(C)C Z334950180 [0,2,0,0,0,0|2,0,0]=4 640 B9R0.2 CCOCCCNC(=O)N Z56985786 [0,2,0,0,0,0|1,0,1]=4 641 B9R0.2 CCOCCCNC(=S)N Z108564470 [0,2,0,0,0,0|1,0,1]=4 642 B9R0.38 CC(C)(C)CCNCCO Z4874679298 [0,2,0,0,0,0|2,0,0]=4 643 B9R0.38 CC(C)(C)CNCCCO Z276423094 [0,2,0,0,0,0|2,0,0]=4 644 B9R0.38 CCCCNCC(F)(F)F Z1245537973 [0,2,0,0,0,0|2,0,0]=4 645 B9R0.38 COCCCCS(=O)(=O)N Z1206904572 [0,2,0,0,0,0|2,0,0]=4 646 B9R0.38 COCCOCC(C)(C)O Z1255435424 [0,2,0,0,0,0|2,0,0]=4 647 B9R0.38 CS(=O)(=O)CCCCCN Z1723549314 [0,2,0,0,0,0|2,0,0]=4 648 B9R0.55 CC(C)CCCCC(=O)O Z1198148498 [0,2,0,0,0,0|1,0,1]=4 649 B9R0.55 CC(C)CCNCC(C)C Z4894350750 [0,2,0,0,0,0|1,0,0]=3 650 B9R0.55 CC(N)CCCCC(=O)O Z1276446933 [0,2,0,0,0,0|0,0,1]=3 651 B9R0.55 CC(O)CCCCN(C)C Z902046980 [0,2,0,0,0,0|1,0,0]=3 652 B9R0.55 CN(C)CCCCC(=N)N Z5208162498 [0,2,0,0,0,0|1,0,1]=4 653 B9R0.3 CCCCC(C)S(=O)(=O)N Z954606938 [0,2,0,0,0,0|2,0,0]=4 654 B9R0.7 CC(C)CNC(=O)C(C)N Z1449763125 [0,2,0,0,0,0|1,0,1]=4 655 B9R0.13 CCCCC(CC)C(=O)N Z394696486 [0,2,0,0,0,0|1,0,1]=4 656 B9R0.42 CCC(C)NC(=O)C(C)N Z271752262 [0,2,0,0,0,0|1,0,1]=4 657 B9R0.21 CC(C)(C)CCC(N)CO Z1198179460 [0,2,0,0,0,0|2,0,0]=4 658 B9R0.21 COC(=O)CCC(C)(C)N Z1267881621 [0,2,0,0,0,0|1,0,1]=4 659 B9R0.43 CCC(CC)NCC(C)C Z90518868 [0,2,0,0,0,0|2,0,0]=4 660 B9R0.43 CCN(CC)CCC(C)N Z406679928 [0,2,0,0,0,0|1,0,0]=3 661 B9R0.64 CC(C)CCC(C)(O)CN Z419085084 [0,2,0,0,0,0|2,0,0]=4 662 B9R0.56 CC(O)CCCS(=O)(=O)C Z854048832 [0,2,0,0,0,0|2,0,0]=4 663 B9R0.56 CC(O)CNCC(C)(C)C Z4835620332 [0,2,0,0,0,0|2,0,0]=4 664 B9R0.56 CN(C)CCCC(C)(C)N Z1184860832 [0,2,0,0,0,0|1,0,0]=3 665 B7R1.2 CC1CC(CN1)O Z1201051000 [1,0,0,1,0,0|2,0,0]=4 666 B7R1.2 CC1CC(CO1)N Z2418414350 [1,0,0,1,0,0|1,0,0]=3 667 B7R1.2 CC1CC(CS1)N Z1203639702 [1,0,0,1,0,0|1,0,0]=3 668 B7R1.2 CC1CCC(=O)N1 Z1250132456 [1,0,0,1,0,0|1,0,1]=4 669 B7R1.2 CC1CCC(C1)O Z1233224917 [1,0,0,1,0,0|1,0,0]=3 670 B7R1.2 CC1CCC(N1)C Z1413780490 [1,0,0,1,0,0|0,0,0]=2 671 B7R1.2 CC1CNC(C1)C Z1250222491 [1,0,0,1,0,0|2,0,0]=4 672 B7R1.2 C[C@H]1CC[C@H](N1)C Z3244812696 [1,0,0,1,0,0|0,0,0]=2 673 B7R1.2 NC1CCS(=O)C1 Z1267860904 [1,0,0,1,0,0|2,0,0]=4 674 B7R1.2 N[C@H]1CC[C@H](C1)N Z2752749810 [1,0,0,1,0,0|1,0,0]=3 675 B7R1.3 CC1CNCCN1 Z104480242 [1,0,0,1,0,0|1,0,0]=3 676 B7R1.3 CC1CNCCO1 Z204013884 [1,0,0,1,0,0|2,0,0]=4 677 B7R1.3 CC1CNCCS1 Z334686272 [1,0,0,1,0,0|2,0,0]=4 678 B7R1.3 CC1COCCN1 Z336087928 [1,0,0,1,0,0|1,0,0]=3 679 B7R1.3 CC1CSCCN1 Z334686282 [1,0,0,1,0,0|1,0,0]=3 680 B7R1.3 C[C@H]1CCCNC1 Z1895741201 [1,0,0,1,0,0|2,0,0]=4 681 B7R1.3 C[C@H]1CNCCN1 Z1187834254 [1,0,0,1,0,0|1,0,0]=3 682 B7R1.3 FC1CCNCC1 Z1741960061 [1,0,0,1,0,0|2,0,0]=4 683 B7R1.3 NC1=NCCCC1 Z1723418848 [1,0,0,1,0,0|1,0,1]=4 684 B7R1.3 NC1C=CCCC1 Z1203579654 [1,0,0,1,0,0|0,0,2]=4 685 B7R1.3 NC1CCCCC1 Z1945707495 [1,0,0,1,0,0|0,0,0]=2 686 B7R1.3 NC1CCCOC1 Z1013492300 [1,0,0,1,0,0|1,0,0]=3 687 B7R1.3 NC1CCCSC1 Z1029463244 [1,0,0,1,0,0|1,0,0]=3 688 B7R1.3 NC1CCOCC1 Z600428352 [1,0,0,1,0,0|1,0,0]=3 689 B7R1.3 NC1CCSCC1 Z992716928 [1,0,0,1,0,0|1,0,0]=3 690 B7R1.3 O=C1CCCCC1 Z104474256 [1,0,0,1,0,0|1,0,1]=4 691 B7R1.3 O=C1CCCCN1 Z168817684 [1,0,0,1,0,0|1,0,1]=4 692 B7R1.3 OC1CCCCC1 Z104473498 [1,0,0,1,0,0|1,0,0]=3 693 B7R1.3 OC1CCCSC1 Z993818972 [1,0,0,1,0,0|2,0,0]=4 694 B7R1.3 OC1CCNCC1 Z56347197 [1,0,0,1,0,0|2,0,0]=4 695 B7R1.3 OC1CCOCC1 Z1359429523 [1,0,0,1,0,0|2,0,0]=4 696 B7R1.5 CC1CC1CCN Z4888675966 [1,0,0,1,0,0|2,0,0]=4 697 B7R1.5 CCC[C@@H]1C[C@H]1N Z2298098035 [1,0,0,1,0,0|0,0,0]=2 698 B7R1.5 CNCC1CC1C Z3752925195 [1,0,0,1,0,0|2,0,0]=4 699 B7R1.7 CCCCC1CO1 Z1020679810 [1,0,0,1,0,0|1,0,0]=3 700 B7R1.7 CCNCC1CC1 Z1692483163 [1,0,0,1,0,0|2,0,0]=4 701 B7R1.7 CCOCC1CO1 Z271128258 [1,0,0,1,0,0|2,0,0]=4 702 B7R1.7 CNCCC1CC1 Z1480642691 [1,0,0,1,0,0|2,0,0]=4 703 B7R1.7 COCCC1CO1 Z1495386141 [1,0,0,1,0,0|2,0,0]=4 704 B7R1.7 NCCCC1CC1 Z2465611603 [1,0,0,1,0,0|2,0,0]=4 705 B7R1.10 C#CC1CC(C1)N Z3194913768 [1,0,0,1,0,0|0,0,2]=4 706 B7R1.10 C#C[C@H]1C[C@H](C1)N Z4052534980 [1,0,0,1,0,0|0,0,2]=4 707 B7R1.10 C=CC1CC(C1)N Z4052438501 [1,0,0,1,0,0|0,0,2]=4 708 B7R1.10 CCC1CC(C1)N Z4130021870 [1,0,0,1,0,0|0,0,0]=2 709 B7R1.10 CNC1CC(C1)O Z1318186466 [1,0,0,1,0,0|2,0,0]=4 710 B7R1.10 CSC1CC(C1)N Z2724378300 [1,0,0,1,0,0|1,0,0]=3 711 B7R1.10 CS[C@H]1C[C@H](C1)N Z5055881160 [1,0,0,1,0,0|1,0,0]=3 712 B7R1.10 N#CC1CC(C1)N Z1813175336 [1,0,0,1,0,0|1,0,1]=4 713 B7R1.10 NC[C@H]1C[C@@H](C1)O Z2755724217 [1,0,0,1,0,0|2,0,0]=4 714 B7R1.10 N[C@H]1C[C@H](C1)CO Z1203585248 [1,0,0,1,0,0|1,0,0]=3 715 B7R1.12 CC(=O)C1CC1C Z1259336498 [1,0,0,1,0,0|1,0,1]=4 716 B7R1.12 CC(C)[C@@H]1C[C@H]1N Z2285053182 [1,0,0,1,0,0|2,0,0]=4 717 B7R1.12 CC1CC1C(=O)N Z33546780 [1,0,0,1,0,0|1,0,1]=4 718 B7R1.14 CC1(CC=CC1)N Z2470136742 [1,0,0,1,0,0|0,0,2]=4 719 B7R1.14 CC1(CCCC1)O Z449370856 [1,0,0,1,0,0|1,0,0]=3 720 B7R1.14 CC1(CCCN1)C Z1259335892 [1,0,0,1,0,0|2,0,0]=4 721 B7R1.14 CC1(CCNC1)C Z1270207926 [1,0,0,1,0,0|2,0,0]=4 722 B7R1.14 CC1(CCNC1)O Z1139194384 [1,0,0,1,0,0|2,0,0]=4 723 B7R1.14 CC1(CCOC1)N Z1895741238 [1,0,0,1,0,0|1,0,0]=3 724 B7R1.14 CC1(CCSC1)N Z4990294346 [1,0,0,1,0,0|1,0,0]=3 725 B7R1.14 CC1(CCSC1)O Z1359841674 [1,0,0,1,0,0|2,0,0]=4 726 B7R1.17 CC1(CCC1N)C Z1813195196 [1,0,0,1,0,0|2,0,0]=4 727 B7R1.18 CC(O)C1CCC1 Z1198149695 [1,0,0,1,0,0|1,0,0]=3 728 B7R1.18 N=C(N)C1CCC1 Z1532540511 [1,0,0,1,0,0|1,0,1]=4 729 B7R1.18 NC(=O)C1CCC1 Z33546656 [1,0,0,1,0,0|1,0,1]=4 730 B7R1.20 CC(=O)CC1CC1 Z1198160502 [1,0,0,1,0,0|1,0,1]=4 731 B7R1.20 CC(C)CC1CO1 Z1020679872 [1,0,0,1,0,0|2,0,0]=4 732 B7R1.20 NC(=O)CC1CC1 Z365255854 [1,0,0,1,0,0|1,0,1]=4 733 B7R1.23 CC1(CC1CN)C Z1267773739 [1,0,0,1,0,0|2,0,0]=4 734 B7R1.23 CC1(CC1CO)C Z1198310193 [1,0,0,1,0,0|2,0,0]=4 735 B7R1.23 CNC1CC1(C)C Z1895742049 [1,0,0,1,0,0|2,0,0]=4 736 B7R1.1 BrCC1CCCO1 Z90660999 [1,0,0,1,0,0|2,0,0]=4 737 B7R1.1 C#CC1CCCN1 Z1203832764 [1,0,0,1,0,0|0,0,2]=4 738 B7R1.1 CCC1CCCN1 Z281773802 [1,0,0,1,0,0|0,0,0]=2 739 B7R1.1 CCC1CCNC1 Z1407004100 [1,0,0,1,0,0|1,0,0]=3 740 B7R1.1 CNC1CCCC1 Z102766802 [1,0,0,1,0,0|1,0,0]=3 741 B7R1.1 CNC1CCOC1 Z1079260566 [1,0,0,1,0,0|2,0,0]=4 742 B7R1.1 CNC1CCSC1 Z102767000 [1,0,0,1,0,0|2,0,0]=4 743 B7R1.1 CO[C@@H]1CCNC1 Z1335657682 [1,0,0,1,0,0|2,0,0]=4 744 B7R1.1 CO[C@H]1CCNC1 Z1335657810 [1,0,0,1,0,0|2,0,0]=4 745 B7R1.1 ClCC1CCCO1 Z56893271 [1,0,0,1,0,0|2,0,0]=4 746 B7R1.1 FCC1CCCN1 Z2216711551 [1,0,0,1,0,0|1,0,0]=3 747 B7R1.1 N#CC1CCCC1 Z285131394 [1,0,0,1,0,0|0,0,2]=4 748 B7R1.1 NCC1C=CCC1 Z2768196818 [1,0,0,1,0,0|0,0,2]=4 749 B7R1.1 NCC1CC=CC1 Z2310699469 [1,0,0,1,0,0|0,0,2]=4 750 B7R1.1 NCC1CCCC1 Z367452206 [1,0,0,1,0,0|0,0,0]=2 751 B7R1.1 NCC1CCCS1 Z1201677924 [1,0,0,1,0,0|1,0,0]=3 752 B7R1.1 NCC1COCO1 Z2298138033 [1,0,0,1,0,0|2,0,0]=4 753 B7R1.1 NC[C@@H]1CCCN1 Z3235020468 [1,0,0,1,0,0|1,0,0]=3 754 B7R1.1 NC[C@H]1CCCN1 Z1483956794 [1,0,0,1,0,0|1,0,0]=3 755 B7R1.1 NNC1CCCC1 Z285139110 [1,0,0,1,0,0|1,0,0]=3 756 B7R1.1 O=CC1CCCC1 Z875036058 [1,0,0,1,0,0|1,0,1]=4 757 B7R1.1 OCC1CCCC1 Z397587414 [1,0,0,1,0,0|1,0,0]=3 758 B7R1.1 OCC1CCCN1 Z825308062 [1,0,0,1,0,0|1,0,0]=3 759 B7R1.1 OCC1CCCS1 Z1201679857 [1,0,0,1,0,0|2,0,0]=4 760 B7R1.1 OCC1CCNC1 Z976722188 [1,0,0,1,0,0|2,0,0]=4 761 B7R1.1 OCC1CCOC1 Z335245192 [1,0,0,1,0,0|2,0,0]=4 762 B7R1.1 OCC1CCSC1 Z1201679855 [1,0,0,1,0,0|2,0,0]=4 763 B7R1.1 OC[C@@H]1CCCN1 Z1123715411 [1,0,0,1,0,0|1,0,0]=3 764 B7R1.4 CC1CCCC1=O Z813018382 [1,0,0,1,0,0|1,0,1]=4 765 B7R1.4 CC1CCCC1N Z1219738990 [1,0,0,1,0,0|0,0,0]=2 766 B7R1.4 CC1CCNC1C Z1335657674 [1,0,0,1,0,0|1,0,0]=3 767 B7R1.4 CC1CNCC1C Z1281657986 [1,0,0,1,0,0|1,0,0]=3 768 B7R1.4 CC1SCCC1N Z2408712737 [1,0,0,1,0,0|1,0,0]=3 769 B7R1.4 C[C@@H]1CCC[C@@H]1N Z2309845262 [1,0,0,1,0,0|0,0,0]=2 770 B7R1.4 C[C@@H]1CCC[C@H]1N Z2568757690 [1,0,0,1,0,0|0,0,0]=2 771 B7R1.4 C[C@@H]1CNC[C@@H]1O Z2309845194 [1,0,0,1,0,0|2,0,0]=4 772 B7R1.4 C[C@@H]1NCC[C@H]1O Z2235678880 [1,0,0,1,0,0|2,0,0]=4 773 B7R1.4 C[C@H]1OCC[C@H]1N Z2186882122 [1,0,0,1,0,0|1,0,0]=3 774 B7R1.4 N[C@@H]1CCC[C@@H]1O Z2306841441 [1,0,0,1,0,0|1,0,0]=3 775 B7R1.4 N[C@@H]1CCC[C@H]1N Z2786079696 [1,0,0,1,0,0|1,0,0]=3 776 B7R1.4 N[C@@H]1CCC[C@H]1O Z2256393934 [1,0,0,1,0,0|1,0,0]=3 777 B7R1.4 N[C@@H]1COC[C@@H]1F Z2756848808 [1,0,0,1,0,0|2,0,0]=4 778 B7R1.4 N[C@@H]1COC[C@H]1F Z4185697479 [1,0,0,1,0,0|2,0,0]=4 779 B7R1.4 N[C@@H]1COC[C@H]1N Z2306914123 [1,0,0,1,0,0|2,0,0]=4 780 B7R1.4 N[C@@H]1CSC[C@@H]1O Z3068057819 [1,0,0,1,0,0|2,0,0]=4 781 B7R1.4 N[C@H]1CCC[C@@H]1O Z1197994837 [1,0,0,1,0,0|1,0,0]=3 782 B7R1.4 N[C@H]1CNC[C@H]1N Z4670285097 [1,0,0,1,0,0|2,0,0]=4 783 B7R1.4 OC1CCCC1O Z600452564 [1,0,0,1,0,0|2,0,0]=4 784 B7R1.6 CCCC1CNC1 Z2310679174 [1,0,0,1,0,0|1,0,0]=3 785 B7R1.6 CCNC1CCC1 Z2144245483 [1,0,0,1,0,0|1,0,0]=3 786 B7R1.6 CNCC1CCC1 Z1692482598 [1,0,0,1,0,0|1,0,0]=3 787 B7R1.6 COCC1CCN1 Z2213893372 [1,0,0,1,0,0|1,0,0]=3 788 B7R1.6 N#CCC1CCC1 Z1198184443 [1,0,0,1,0,0|0,0,2]=4 789 B7R1.6 NCCC1CCC1 Z1405445718 [1,0,0,1,0,0|0,0,0]=2 790 B7R1.6 NCCN1CCC1 Z1203582961 [1,0,0,1,0,0|1,0,0]=3 791 B7R1.6 O=CCC1CCC1 Z1198184444 [1,0,0,1,0,0|1,0,1]=4 792 B7R1.8 CN[C@@H]1CC[C@H]1O Z2678247023 [1,0,0,1,0,0|2,0,0]=4 793 B7R1.8 CO[C@@H]1CC[C@H]1N Z2311224799 [1,0,0,1,0,0|1,0,0]=3 794 B7R1.9 CCC1CC1C=O Z1513989944 [1,0,0,1,0,0|1,0,1]=4 795 B7R1.9 CC[C@@H]1C[C@H]1C=O Z3300760890 [1,0,0,1,0,0|1,0,1]=4 796 B7R1.9 CC[C@@H]1C[C@H]1CN Z2235810238 [1,0,0,1,0,0|0,0,0]=2 797 B7R1.24 C1=CCCNCC1 Z1255363448 [1,0,0,1,0,0|0,0,2]=4 798 B7R1.24 C1CCCNCC1 Z57127566 [1,0,0,1,0,0|0,0,0]=2 799 B7R1.24 C1CCNOCC1 Z1824482753 [1,0,0,1,0,0|1,0,0]=3 800 B7R1.24 C1CNCCOC1 Z359510198 [1,0,0,1,0,0|1,0,0]=3 801 B7R1.24 C1CNCCSC1 Z1954803255 [1,0,0,1,0,0|1,0,0]=3 802 B7R1.24 C1CSSCCN1 Z1203735354 [1,0,0,1,0,0|2,0,0]=4 803 B9R1.7 CC1CCC(C1)CCN Z3271769493 [0,1,0,1,0,0|1,0,0]=3 804 B9R1.7 CC1CCN(C1)CCO Z785808944 [0,1,0,1,0,0|2,0,0]=4 805 B9R1.7 CCCC1CCC(C1)N Z1233210255 [0,1,0,1,0,0|0,0,0]=2 806 B9R1.7 CCCC1CNC(=O)C1 Z1201628058 [0,1,0,1,0,0|1,0,1]=4 807 B9R1.7 CCNC1CCN(C1)C Z415646772 [0,1,0,1,0,0|2,0,0]=4 808 B9R1.7 CCSC1CCC(C1)N Z1245790214 [0,1,0,1,0,0|0,0,0]=2 809 B9R1.7 CNCC1CCN(C1)C Z594498314 [0,1,0,1,0,0|2,0,0]=4 810 B9R1.7 CNC[C@@H]1CCC(=O)N1 Z2941365002 [0,1,0,1,0,0|1,0,1]=4 811 B9R1.7 CNC[C@@H]1C[C@H](CN1)O Z2242008674 [0,1,0,1,0,0|2,0,0]=4 812 B9R1.7 COC[C@@H]1C[C@@H](CN1)O Z2298137791 [0,1,0,1,0,0|2,0,0]=4 813 B9R1.7 N#CC[C@H]1CC[C@H](C1)N Z2327884306 [0,1,0,1,0,0|0,0,1]=3 814 B9R1.13 CC(=O)CC1CCCO1 Z513734588 [0,1,0,1,0,0|1,0,1]=4 815 B9R1.13 CC(=O)CC1CCOC1 Z1321971717 [0,1,0,1,0,0|1,0,1]=4 816 B9R1.13 CC(=O)NC1CCCC1 Z32413858 [0,1,0,1,0,0|1,0,1]=4 817 B9R1.13 CC(C)CC1CCCN1 Z2301511576 [0,1,0,1,0,0|1,0,0]=3 818 B9R1.13 CC(C)CC1CCNC1 Z979422218 [0,1,0,1,0,0|1,0,0]=3 819 B9R1.13 CC(C)NC1CCCC1 Z316170330 [0,1,0,1,0,0|1,0,0]=3 820 B9R1.13 CC(C)NC1CCOC1 Z4766862771 [0,1,0,1,0,0|2,0,0]=4 821 B9R1.13 CC(N)CC1CCCO1 Z513796812 [0,1,0,1,0,0|0,0,0]=2 822 B9R1.13 CC(O)CC1CCCN1 Z1203731942 [0,1,0,1,0,0|1,0,0]=3 823 B9R1.13 CC(O)CC1CCOC1 Z1322050500 [0,1,0,1,0,0|1,0,0]=3 824 B9R1.13 CN(C)CC1CCNC1 Z976737048 [0,1,0,1,0,0|2,0,0]=4 825 B9R1.13 N=C(N)CC1CCCC1 Z2092177104 [0,1,0,1,0,0|1,0,1]=4 826 B9R1.13 N=C(N)CN1CCCC1 Z744754604 [0,1,0,1,0,0|1,0,1]=4 827 B9R1.13 NC(=NC1CCCC1)N Z1269638443 [0,1,0,1,0,0|1,0,1]=4 828 B9R1.13 NC(=O)CC1CCCC1 Z33546662 [0,1,0,1,0,0|1,0,1]=4 829 B9R1.13 NC(=O)CC1CCCN1 Z1459435572 [0,1,0,1,0,0|1,0,1]=4 830 B9R1.13 NC(=O)CN1CCCC1 Z1184886892 [0,1,0,1,0,0|1,0,1]=4 831 B9R1.13 NC(=O)NC1CCCC1 Z56896930 [0,1,0,1,0,0|1,0,1]=4 832 B9R1.22 CCN1CC(CC1=O)N Z2235810233 [0,1,0,1,0,0|1,0,1]=4 833 B9R1.22 CO[C@@H]1C[C@@H](C[C@@H]1O)N Z4130649749 [0,1,0,1,0,0|1,0,0]=3 834 B9R1.34 CC1CC(CC(C1)N)C Z1203580437 [0,1,0,1,0,0|0,0,0]=2 835 B9R1.34 CC1CC(CC(C1)O)C Z1147526321 [0,1,0,1,0,0|1,0,0]=3 836 B9R1.34 CC1CC(CC(N1)C)O Z1198154849 [0,1,0,1,0,0|0,0,0]=2 837 B9R1.34 CC1CC(CC(S1)C)N Z2740389323 [0,1,0,1,0,0|1,0,0]=3 838 B9R1.34 CC1CN(CC(O1)C)C Z1983079496 [0,1,0,1,0,0|2,0,0]=4 839 B9R1.34 CC1NC(SC(S1)C)C Z1198150431 [0,1,0,1,0,0|2,0,0]=4 840 B9R1.34 C[C@H]1C[C@H](C[C@H](N1)C)C Z3050333410 [0,1,0,1,0,0|0,0,0]=2 841 B9R1.34 N[C@@H]1C[C@@H](C[C@@H](C1)O)O Z4512858324 [0,1,0,1,0,0|1,0,0]=3 842 B9R1.34 N[C@H]1C[C@H](C[C@H](C1)N)N Z4632759870 [0,1,0,1,0,0|1,0,0]=3 843 B9R1.38 CN1CC(CC1(C)C)N Z3601602584 [0,1,0,1,0,0|2,0,0]=4 844 B9R1.41 CC(C)C1CCCC1=O Z993018308 [0,1,0,1,0,0|1,0,1]=4 845 B9R1.41 CC(C)C1CCCC1N Z3278384105 [0,1,0,1,0,0|1,0,0]=3 846 B9R1.41 CC1CNCC1N(C)C Z1203832902 [0,1,0,1,0,0|2,0,0]=4 847 B9R1.41 CC1NCCC1N(C)C Z2216303117 [0,1,0,1,0,0|2,0,0]=4 848 B9R1.41 CN(C)C1CCCC1N Z271010464 [0,1,0,1,0,0|2,0,0]=4 849 B9R1.41 CN(C)[C@@H]1CCC[C@H]1N Z3033962105 [0,1,0,1,0,0|2,0,0]=4 850 B9R1.41 CN(C)[C@H]1CCC[C@@H]1N Z1753033013 [0,1,0,1,0,0|2,0,0]=4 851 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)N Z2235592159 [0,1,0,1,0,0|1,0,1]=4 852 B9R1.41 NC(=O)C1CCCC1N Z1203642185 [0,1,0,1,0,0|1,0,1]=4 853 B9R1.41 NC(=O)[C@H]1CCC[C@H]1N Z2311233523 [0,1,0,1,0,0|1,0,1]=4 854 B9R1.48 CC1CC(=O)NCCN1 Z1165350935 [0,1,0,1,0,0|1,0,1]=4 855 B9R1.48 CC1CNCCN(C1)C Z825716170 [0,1,0,1,0,0|2,0,0]=4 856 B9R1.48 CC1CNCCS(=O)C1 Z1868316786 [0,1,0,1,0,0|2,0,0]=4 857 B9R1.48 CC1COCCC(=O)N1 Z1203833663 [0,1,0,1,0,0|1,0,1]=4 858 B9R1.48 CN1CCNCC(C1)O Z2310716518 [0,1,0,1,0,0|2,0,0]=4 859 B9R1.48 C[C@@H]1CCNC[C@@H](C1)C Z2865591915 [0,1,0,1,0,0|1,0,0]=3 860 B9R1.53 CN(C)C[C@H]1C[C@@H](C1)N Z2310678163 [0,1,0,1,0,0|1,0,0]=3 861 B9R1.53 NC(=O)CC1CC(C1)N Z2831568112 [0,1,0,1,0,0|1,0,1]=4 862 B9R1.53 NC1CC(C1)CC(=O)O Z2832014018 [0,1,0,1,0,0|1,0,1]=4 863 B9R1.53 NC1CC(C1)CC(F)F Z4239290606 [0,1,0,1,0,0|1,0,0]=3 864 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O Z3032846287 [0,1,0,1,0,0|1,0,1]=4 865 B9R1.66 CC1(CC(CCN1)O)C Z3234810851 [0,1,0,1,0,0|2,0,0]=4 866 B9R1.66 CC1(CC(CCO1)O)C Z1192342111 [0,1,0,1,0,0|2,0,0]=4 867 B9R1.66 CC1(CC(CCS1)N)C Z2740389324 [0,1,0,1,0,0|1,0,0]=3 868 B9R1.66 CC1(CCCC(C1)O)C Z1198148603 [0,1,0,1,0,0|1,0,0]=3 869 B9R1.66 CC1(CNCC(C1)O)C Z2754447857 [0,1,0,1,0,0|2,0,0]=4 870 B9R1.66 CC1CC(CCN1)(C)O Z1813192877 [0,1,0,1,0,0|2,0,0]=4 871 B9R1.66 CC1CC(CCO1)(C)N Z2740753677 [0,1,0,1,0,0|1,0,0]=3 872 B9R1.66 CC1CCCC(C1)(C)O Z449370622 [0,1,0,1,0,0|1,0,0]=3 873 B9R1.66 CC1CCCC(N1)(C)C Z2939852869 [0,1,0,1,0,0|0,0,0]=2 874 B9R1.66 CC1CNCC(O1)(C)C Z432419530 [0,1,0,1,0,0|2,0,0]=4 875 B9R1.66 CC1COCC(N1)(C)C Z3148797991 [0,1,0,1,0,0|1,0,0]=3 876 B9R1.66 NC1CCCC(C1)(F)F Z1443588486 [0,1,0,1,0,0|1,0,0]=3 877 B9R1.66 NC1CCCS(=O)(=O)C1 Z1266933919 [0,1,0,1,0,0|2,0,0]=4 878 B9R1.136 CCNC1CC(C1)(C)C Z1398617849 [0,1,0,1,0,0|2,0,0]=4 879 B9R1.136 CNCC1CC(C1)(C)C Z2412194283 [0,1,0,1,0,0|2,0,0]=4 880 B9R1.136 CNCC1CC(C1)(F)F Z1255467709 [0,1,0,1,0,0|2,0,0]=4 881 B9R1.137 NC(=O)CC(N)C1CC1 Z1259339889 [0,1,0,1,0,0|1,0,1]=4 882 B9R1.171 CC(N)CC1(CCC1)O Z3136262079 [0,1,0,1,0,0|0,0,0]=2 883 B9R1.171 CN(C)CC1(CCC1)N Z1436316979 [0,1,0,1,0,0|2,0,0]=4 884 B9R1.171 NC(=O)CC1(CCC1)N Z1415889529 [0,1,0,1,0,0|1,0,1]=4 885 B9R1.177 CCCC1(CC(=O)N1)C Z1238837566 [0,1,0,1,0,0|1,0,1]=4 886 B9R1.1 CC1CCC(NC1)CN Z3492445324 [0,1,0,1,0,0|1,0,0]=3 887 B9R1.1 CC1COC(CN1)CO Z1430538108 [0,1,0,1,0,0|2,0,0]=4 888 B9R1.1 CCC1CCC(=O)CC1 Z104475572 [0,1,0,1,0,0|1,0,1]=4 889 B9R1.1 CCC1COC(CN1)C Z56968897 [0,1,0,1,0,0|1,0,0]=3 890 B9R1.1 CCN1CCC(CC1)N Z96092729 [0,1,0,1,0,0|1,0,0]=3 891 B9R1.1 CCN1CCC(CC1)O Z197264618 [0,1,0,1,0,0|2,0,0]=4 892 B9R1.1 CC[C@@H]1CC[C@H](NC1)C Z3337244239 [0,1,0,1,0,0|0,0,0]=2 893 B9R1.1 CC[C@H]1CC[C@@H](CC1)N Z2205958759 [0,1,0,1,0,0|0,0,0]=2 894 B9R1.1 CNC1CCC(CC1)O Z138503904 [0,1,0,1,0,0|2,0,0]=4 895 B9R1.1 CN[C@H]1CC[C@H](CC1)O Z3241259883 [0,1,0,1,0,0|2,0,0]=4 896 B9R1.1 COC1CCC(CC1)N Z2284394857 [0,1,0,1,0,0|1,0,0]=3 897 B9R1.1 COC1CCC(CC1)O Z904962746 [0,1,0,1,0,0|2,0,0]=4 898 B9R1.1 C[C@@H]1CC[C@H](OC1)CN Z3770977955 [0,1,0,1,0,0|2,0,0]=4 899 B9R1.1 N#C[C@H]1CC[C@@H](CC1)N Z1262687451 [0,1,0,1,0,0|1,0,1]=4 900 B9R1.1 N#C[C@H]1CC[C@H](CC1)N Z1486032476 [0,1,0,1,0,0|1,0,1]=4 901 B9R1.1 N[C@H]1CC[C@@H](CC1)CF Z3035094917 [0,1,0,1,0,0|1,0,0]=3 902 B9R1.1 N[C@H]1CC[C@@H](CC1)CO Z1203582309 [0,1,0,1,0,0|1,0,0]=3 903 B9R1.1 N[C@H]1CC[C@H](CC1)CO Z1203579954 [0,1,0,1,0,0|1,0,0]=3 904 B9R1.1 OCC1CCC(CC1)O Z1255451065 [0,1,0,1,0,0|2,0,0]=4 905 B9R1.2 C#CC1CCCN(C1)C Z3303704823 [0,1,0,1,0,0|2,0,0]=4 906 B9R1.2 C=C[C@@H]1CCC[C@H](C1)N Z3071811850 [0,1,0,1,0,0|0,0,1]=3 907 B9R1.2 CC1CC(CCO1)C#N Z1192344036 [0,1,0,1,0,0|1,0,1]=4 908 B9R1.2 CC1CC(CCO1)C=O Z1268606322 [0,1,0,1,0,0|2,0,0]=4 909 B9R1.2 CC1CC(CCO1)CO Z1268632086 [0,1,0,1,0,0|2,0,0]=4 910 B9R1.2 CC1CC(CCS1)CN Z3481572483 [0,1,0,1,0,0|1,0,0]=3 911 B9R1.2 CC1CCCC(C1)C#N Z415654834 [0,1,0,1,0,0|0,0,1]=3 912 B9R1.2 CC1CCCC(C1)C=O Z1217182161 [0,1,0,1,0,0|1,0,0]=3 913 B9R1.2 CC1CNCC(O1)CO Z1509113623 [0,1,0,1,0,0|2,0,0]=4 914 B9R1.2 CC1COCC(O1)CN Z4877532429 [0,1,0,1,0,0|2,0,0]=4 915 B9R1.2 CCC1CC(=O)CCO1 Z1192338795 [0,1,0,1,0,0|1,0,1]=4 916 B9R1.2 CCC1CCCC(=O)C1 Z1201627363 [0,1,0,1,0,0|1,0,1]=4 917 B9R1.2 CCC1CCCC(C1)N Z1210580079 [0,1,0,1,0,0|0,0,0]=2 918 B9R1.2 CCC1CCCC(C1)O Z1192057272 [0,1,0,1,0,0|1,0,0]=3 919 B9R1.2 CCC1CCNC(=O)C1 Z1203732244 [0,1,0,1,0,0|1,0,1]=4 920 B9R1.2 CCC1CNCC(C1)C Z5611307807 [0,1,0,1,0,0|1,0,0]=3 921 B9R1.2 CCC1CNCC(O1)C Z405744530 [0,1,0,1,0,0|1,0,0]=3 922 B9R1.2 CCN1CCCC(C1)N Z736883394 [0,1,0,1,0,0|0,0,0]=2 923 B9R1.2 CCN1CCCC(C1)O Z104478102 [0,1,0,1,0,0|1,0,0]=3 924 B9R1.2 CC[C@@H]1CNC[C@@H](N1)C Z2583036320 [0,1,0,1,0,0|0,0,0]=2 925 B9R1.2 CC[C@@H]1C[C@@H](CCO1)N Z2568676427 [0,1,0,1,0,0|0,0,0]=2 926 B9R1.2 CN1CCCC(C1)CCl Z1449592184 [0,1,0,1,0,0|2,0,0]=4 927 B9R1.2 CN1CCCC(C1)CO Z103740616 [0,1,0,1,0,0|2,0,0]=4 928 B9R1.2 CN1CCOC(C1)CN Z803081680 [0,1,0,1,0,0|2,0,0]=4 929 B9R1.2 CNC1CCCC(C1)C Z367452444 [0,1,0,1,0,0|0,0,0]=2 930 B9R1.2 CNC1CCCC(C1)O Z3064472236 [0,1,0,1,0,0|1,0,0]=3 931 B9R1.2 CNC1CCOC(C1)C Z4657959047 [0,1,0,1,0,0|1,0,0]=3 932 B9R1.2 COC1CCCC(=O)N1 Z1203731823 [0,1,0,1,0,0|1,0,1]=4 933 B9R1.2 COC1CCCC(C1)N Z1192179498 [0,1,0,1,0,0|0,0,0]=2 934 B9R1.2 COC1CCCC(C1)O Z104476334 [0,1,0,1,0,0|1,0,0]=3 935 B9R1.2 COC1CCNC(C1)C Z1998636807 [0,1,0,1,0,0|2,0,0]=4 936 B9R1.2 CO[C@@H]1CCN[C@@H](C1)C Z2375645089 [0,1,0,1,0,0|2,0,0]=4 937 B9R1.2 CSC1CCCC(C1)N Z1219048788 [0,1,0,1,0,0|0,0,0]=2 938 B9R1.2 C[C@@H]1CCC[C@@H](N1)CN Z3617085231 [0,1,0,1,0,0|0,0,0]=2 939 B9R1.2 C[C@@H]1CCC[C@@H](N1)CO Z2738355370 [0,1,0,1,0,0|0,0,0]=2 940 B9R1.2 C[C@@H]1C[C@@H](CCN1)ON Z2379866757 [0,1,0,1,0,0|1,0,0]=3 941 B9R1.2 C[C@@H]1C[C@H](CCS1)CN Z3488455799 [0,1,0,1,0,0|1,0,0]=3 942 B9R1.2 C[C@H]1C[C@H](CCN1)CO Z2102741286 [0,1,0,1,0,0|2,0,0]=4 943 B9R1.2 NCC1CCCC(C1)F Z2429425744 [0,1,0,1,0,0|1,0,0]=3 944 B9R1.2 NC[C@@H]1C[C@@H](CCO1)O Z3200658572 [0,1,0,1,0,0|2,0,0]=4 945 B9R1.2 O=C1CCCC(N1)CO Z1198313433 [0,1,0,1,0,0|1,0,1]=4 946 B9R1.2 O=CC1CCCC(C1)F Z1813182338 [0,1,0,1,0,0|1,0,1]=4 947 B9R1.3 CC1=C(C(CCC1)N)C Z3814443111 [0,1,0,1,0,0|0,0,1]=3 948 B9R1.3 CC1CCCC(=O)C1C Z1198319146 [0,1,0,1,0,0|1,0,1]=4 949 B9R1.3 CC1CCCC(C1C)N Z104478930 [0,1,0,1,0,0|0,0,0]=2 950 B9R1.3 CC1CCCC(C1N)C Z359419654 [0,1,0,1,0,0|0,0,0]=2 951 B9R1.3 CC1CCCC(C1N)O Z1509035391 [0,1,0,1,0,0|1,0,0]=3 952 B9R1.3 CC1CCCC(C1O)C Z335244846 [0,1,0,1,0,0|1,0,0]=3 953 B9R1.3 CC1CNCC(C1O)C Z1509063911 [0,1,0,1,0,0|2,0,0]=4 954 B9R1.3 CC1CNCC(S1=O)C Z2087755672 [0,1,0,1,0,0|2,0,0]=4 955 B9R1.3 CN1CCCC(C1=O)N Z1203581592 [0,1,0,1,0,0|1,0,1]=4 956 B9R1.3 N[C@@H]1CCC[C@H]([C@H]1O)O Z4497061557 [0,1,0,1,0,0|1,0,0]=3 957 B9R1.5 CC1CCCCNC1=O Z1198181151 [0,1,0,1,0,0|1,0,1]=4 958 B9R1.5 CC1CCNCCS1=O Z1860991527 [0,1,0,1,0,0|2,0,0]=4 959 B9R1.5 CC1NCCCNC1=O Z1203829873 [0,1,0,1,0,0|1,0,1]=4 960 B9R1.5 NC1CCCCCC1=O Z2213893401 [0,1,0,1,0,0|0,0,1]=3 961 B9R1.5 NC1CCCCNC1=O Z281895050 [0,1,0,1,0,0|1,0,1]=4 962 B9R1.5 N[C@@H]1CCCCC[C@H]1O Z1198180675 [0,1,0,1,0,0|0,0,0]=2 963 B9R1.5 N[C@H]1CCCCC[C@H]1N Z2895202592 [0,1,0,1,0,0|0,0,0]=2 964 B9R1.5 O=C1CCCCCC1Cl Z223607164 [0,1,0,1,0,0|1,0,1]=4 965 B9R1.5 O=C1NCCCCC1Br Z220343714 [0,1,0,1,0,0|1,0,1]=4 966 B9R1.5 O[C@H]1CCNCC[C@H]1O Z3681811836 [0,1,0,1,0,0|2,0,0]=4 967 B9R1.11 C#CC(N)C1CCCC1 Z5607208042 [0,1,0,1,0,0|0,0,1]=3 968 B9R1.11 C#CC(N)C1CCOC1 Z1744716112 [0,1,0,1,0,0|1,0,1]=4 969 B9R1.11 CC(C=O)C1CCCC1 Z1268606342 [0,1,0,1,0,0|1,0,0]=3 970 B9R1.11 CC(CN)N1CCCC1 Z228571104 [0,1,0,1,0,0|1,0,0]=3 971 B9R1.11 CCC(=O)C1CCCC1 Z513735272 [0,1,0,1,0,0|1,0,1]=4 972 B9R1.11 CCC(C)C1CCCN1 Z3752630998 [0,1,0,1,0,0|2,0,0]=4 973 B9R1.11 CCC(N)C1CCCC1 Z513797602 [0,1,0,1,0,0|0,0,0]=2 974 B9R1.11 CCC(N)C1CCCO1 Z1259145227 [0,1,0,1,0,0|1,0,0]=3 975 B9R1.11 CCC(N)C1CCOC1 Z1138843620 [0,1,0,1,0,0|1,0,0]=3 976 B9R1.11 COC(=O)C1CCCC1 Z18376105 [0,1,0,1,0,0|1,0,1]=4 977 B9R1.11 C[C@@H](CN)N1CCCC1 Z4663210446 [0,1,0,1,0,0|1,0,0]=3 978 B9R1.11 N/C(=N\O)/C1CCCC1 Z285132798 [0,1,0,1,0,0|1,0,1]=4 979 B9R1.11 NC(CO)C1CCOC1 Z1446874474 [0,1,0,1,0,0|1,0,0]=3 980 B9R1.11 NCC(O)C1CCOC1 Z2418537435 [0,1,0,1,0,0|2,0,0]=4 981 B9R1.11 NNC(=O)C1CCCC1 Z58981928 [0,1,0,1,0,0|1,0,1]=4 982 B9R1.11 O=C(CCl)C1CCCC1 Z1198266546 [0,1,0,1,0,0|1,0,1]=4 983 B9R1.16 CC1CC1CCCC=O Z3271342479 [0,1,0,1,0,0|1,0,1]=4 984 B9R1.17 COCCOC1CNC1 Z1318513962 [0,1,0,1,0,0|2,0,0]=4 985 B9R1.17 NCCCCC1CCC1 Z5398432947 [0,1,0,1,0,0|2,0,0]=4 986 B9R1.21 CCN1CCC(C1)CN Z234895457 [0,1,0,1,0,0|1,0,0]=3 987 B9R1.21 CCN1CCC(C1)NC Z415647768 [0,1,0,1,0,0|1,0,0]=3 988 B9R1.21 CNC1CCC(C1)SC Z1245790494 [0,1,0,1,0,0|1,0,0]=3 989 B9R1.21 NC[C@H]1CC[C@H](C1)CN Z1203591890 [0,1,0,1,0,0|1,0,0]=3 990 B9R1.21 OC[C@@H]1CC[C@H](N1)CO Z2309988693 [0,1,0,1,0,0|1,0,0]=3 991 B9R1.49 CC1CCCC(NC1)C Z1203830904 [0,1,0,1,0,0|0,0,0]=2 992 B9R1.49 CC1CCS(=O)CCN1 Z1868316872 [0,1,0,1,0,0|1,0,0]=3 993 B9R1.49 CN1CCCC(CC1)N Z2310677587 [0,1,0,1,0,0|1,0,0]=3 994 B9R1.49 C[C@@H]1CCO[C@@H](CN1)C Z3025866678 [0,1,0,1,0,0|1,0,0]=3 995 B9R1.49 O=C1CCCC(CN1)O Z1255401193 [0,1,0,1,0,0|1,0,1]=4 996 B9R1.50 CC1CCCCCCN1 Z3487835965 [0,1,0,1,0,0|0,0,0]=2 997 B9R1.50 CN1CCCNCCC1 Z2310677612 [0,1,0,1,0,0|2,0,0]=4 998 B9R1.50 NC1CCCCCCC1 Z104478188 [0,1,0,1,0,0|0,0,0]=2 999 B9R1.50 O=C1CCCCCCC1 Z104474712 [0,1,0,1,0,0|1,0,1]=4 1000 B9R1.50 O=C1CCCCNCC1 Z5186715583 [0,1,0,1,0,0|1,0,1]=4 1001 B9R1.50 O=C1CCNCCCN1 Z1262578602 [0,1,0,1,0,0|1,0,1]=4 1002 B9R1.50 OC1CCCCCCC1 Z104472780 [0,1,0,1,0,0|1,0,0]=3 1003 B9R1.58 COC1CC(C1)CCN Z2488962449 [0,1,0,1,0,0|2,0,0]=4 1004 B9R1.58 CO[C@H]1C[C@H](C1)CCN Z4457865940 [0,1,0,1,0,0|2,0,0]=4 1005 B9R1.79 NC(CO)CC1CCC1 Z1263593952 [0,1,0,1,0,0|0,0,0]=2 1006 B9R1.79 NCC(O)CC1CCC1 Z5787667532 [0,1,0,1,0,0|1,0,0]=3 1007 B9R1.79 O=C(CCl)CC1CCC1 Z1827533014 [0,1,0,1,0,0|1,0,1]=4 1008 B9R1.80 CC(C#N)CNC1CC1 Z53117502 [0,1,0,1,0,0|1,0,1]=4 1009 B9R1.80 O=C(CCl)CCC1CC1 Z2408823652 [0,1,0,1,0,0|1,0,1]=4 1010 B9R1.89 C#CC1CCCCNC1 Z2768767729 [0,1,0,1,0,0|2,0,0]=4 1011 B9R1.89 C#CC1CCCNCC1 Z2740753678 [0,1,0,1,0,0|2,0,0]=4 1012 B9R1.89 CCC1CCCCCN1 Z992736884 [0,1,0,1,0,0|0,0,0]=2 1013 B9R1.89 CCC1CCCNCC1 Z425362302 [0,1,0,1,0,0|2,0,0]=4 1014 B9R1.89 CCC1CCNCCO1 Z3275232542 [0,1,0,1,0,0|2,0,0]=4 1015 B9R1.89 CCC1CCOCCN1 Z3275231194 [0,1,0,1,0,0|1,0,0]=3 1016 B9R1.89 CNC1CCCCCC1 Z102766800 [0,1,0,1,0,0|0,0,0]=2 1017 B9R1.89 CNC1CCCNCC1 Z1171155633 [0,1,0,1,0,0|1,0,0]=3 1018 B9R1.89 CNC1CCCOCC1 Z5794487564 [0,1,0,1,0,0|1,0,0]=3 1019 B9R1.89 COC1CCCNCC1 Z2492774475 [0,1,0,1,0,0|2,0,0]=4 1020 B9R1.89 CSC1CCCCNC1 Z1462950888 [0,1,0,1,0,0|2,0,0]=4 1021 B9R1.89 FCC1CNCCCO1 Z2295370275 [0,1,0,1,0,0|2,0,0]=4 1022 B9R1.89 NCC1C=CCCCC1 Z3443270742 [0,1,0,1,0,0|0,0,2]=4 1023 B9R1.89 NCC1CCC=CCC1 Z2895896095 [0,1,0,1,0,0|0,0,2]=4 1024 B9R1.89 NCC1CCCCCC1 Z415655096 [0,1,0,1,0,0|0,0,0]=2 1025 B9R1.89 NCC1CCCOCC1 Z4438964521 [0,1,0,1,0,0|1,0,0]=3 1026 B9R1.89 NCC1CCCSCC1 Z3037487975 [0,1,0,1,0,0|1,0,0]=3 1027 B9R1.89 NCC1COCCOC1 Z2310678775 [0,1,0,1,0,0|2,0,0]=4 1028 B9R1.89 O/N=C\1/CCCCCN1 Z56928892 [0,1,0,1,0,0|1,0,1]=4 1029 B9R1.89 O=CC1CCCCCC1 Z1079442748 [0,1,0,1,0,0|1,0,0]=3 1030 B9R1.89 O=CC1CCCOCC1 Z1268606450 [0,1,0,1,0,0|2,0,0]=4 1031 B9R1.89 OCC1CCCCCC1 Z992928672 [0,1,0,1,0,0|1,0,0]=3 1032 B9R1.89 OCC1CCCCNC1 Z1318147457 [0,1,0,1,0,0|2,0,0]=4 1033 B9R1.118 C#CC1(CCOCC1)N Z4658148877 [0,1,0,1,0,0|1,0,1]=4 1034 B9R1.118 C=CC1(CCOCC1)N Z3092386482 [0,1,0,1,0,0|1,0,1]=4 1035 B9R1.118 CC1(C=CCCC1)CN Z3020211238 [0,1,0,1,0,0|0,0,2]=4 1036 B9R1.118 CC1(CC=CCC1)CN Z3482082462 [0,1,0,1,0,0|0,0,2]=4 1037 B9R1.118 CC1(CCCCC1)C#N Z1255495336 [0,1,0,1,0,0|0,0,1]=3 1038 B9R1.118 CC1(CCCCC1)C=O Z1198343650 [0,1,0,1,0,0|1,0,0]=3 1039 B9R1.118 CC1(CCCCC1)CN Z1413780464 [0,1,0,1,0,0|0,0,0]=2 1040 B9R1.118 CC1(CCCCC1)CO Z1201620047 [0,1,0,1,0,0|1,0,0]=3 1041 B9R1.118 CC1(CCCCN1)CO Z1255397122 [0,1,0,1,0,0|2,0,0]=4 1042 B9R1.118 CC1(CCCCO1)C=O Z2178581866 [0,1,0,1,0,0|2,0,0]=4 1043 B9R1.118 CC1(CCCNC1)C#N Z1255396423 [0,1,0,1,0,0|1,0,1]=4 1044 B9R1.118 CC1(CCCNC1)CO Z1198184762 [0,1,0,1,0,0|2,0,0]=4 1045 B9R1.118 CC1(CCNCC1)CO Z1683068092 [0,1,0,1,0,0|2,0,0]=4 1046 B9R1.118 CC1(CCOCC1)C=O Z1255452107 [0,1,0,1,0,0|2,0,0]=4 1047 B9R1.118 CC1(CCOCC1)CO Z1255447679 [0,1,0,1,0,0|2,0,0]=4 1048 B9R1.118 CCC1(CCCCC1)N Z2235790648 [0,1,0,1,0,0|0,0,0]=2 1049 B9R1.118 CCC1(CCCCC1)O Z449370576 [0,1,0,1,0,0|1,0,0]=3 1050 B9R1.118 CCC1(CCCNC1)C Z1198369368 [0,1,0,1,0,0|2,0,0]=4 1051 B9R1.118 CCC1(CCNCC1)C Z979713968 [0,1,0,1,0,0|2,0,0]=4 1052 B9R1.118 CCC1(CCNCC1)O Z1267885912 [0,1,0,1,0,0|2,0,0]=4 1053 B9R1.118 CNC1(CCCCC1)C Z4646023133 [0,1,0,1,0,0|0,0,0]=2 1054 B9R1.118 CNC1(CCOCC1)C Z3813478225 [0,1,0,1,0,0|1,0,0]=3 1055 B9R1.118 COC1(CCCNC1)C Z1569788502 [0,1,0,1,0,0|2,0,0]=4 1056 B9R1.118 COC1(CCNCC1)C Z1203732561 [0,1,0,1,0,0|2,0,0]=4 1057 B9R1.118 N#CC1(CCCCC1)N Z56968513 [0,1,0,1,0,0|0,0,1]=3 1058 B9R1.118 N#CC1(CCOCC1)N Z440604874 [0,1,0,1,0,0|1,0,1]=4 1059 B9R1.118 NC1(CCCCC1)CO Z2417556977 [0,1,0,1,0,0|0,0,0]=2 1060 B9R1.118 NC1(CCOCC1)CO Z234898275 [0,1,0,1,0,0|1,0,0]=3 1061 B9R1.118 NC1(CCSCC1)CO Z2256111066 [0,1,0,1,0,0|1,0,0]=3 1062 B9R1.118 NCC1(CCCCC1)Br Z1982417702 [0,1,0,1,0,0|1,0,0]=3 1063 B9R1.118 NCC1(CCCCC1)N Z235344715 [0,1,0,1,0,0|0,0,0]=2 1064 B9R1.118 NCC1(CCCCC1)O Z363991148 [0,1,0,1,0,0|1,0,0]=3 1065 B9R1.118 NCC1(CCCSC1)O Z4951242636 [0,1,0,1,0,0|2,0,0]=4 1066 B9R1.118 NCC1(CCNCC1)O Z778383858 [0,1,0,1,0,0|2,0,0]=4 1067 B9R1.118 NCC1(CCOCC1)F Z1216819322 [0,1,0,1,0,0|2,0,0]=4 1068 B9R1.118 NCC1(CCOCC1)N Z440604832 [0,1,0,1,0,0|1,0,0]=3 1069 B9R1.118 NCC1(CCSCC1)O Z803080496 [0,1,0,1,0,0|2,0,0]=4 1070 B9R1.118 O=CC1(CCCCC1)Br Z1255439614 [0,1,0,1,0,0|1,0,1]=4 1071 B9R1.118 O=CC1(CCCCC1)Cl Z1251357068 [0,1,0,1,0,0|1,0,1]=4 1072 B9R1.118 OCC1(CCCNC1)O Z2284393168 [0,1,0,1,0,0|2,0,0]=4 1073 B9R1.118 OCC1(CCNCC1)F Z2941371989 [0,1,0,1,0,0|2,0,0]=4 1074 B9R1.118 OCC1(CCNCC1)O Z2522871031 [0,1,0,1,0,0|2,0,0]=4 1075 B9R1.118 OCC1(CCOCC1)O Z1537124723 [0,1,0,1,0,0|2,0,0]=4 1076 B9R1.202 CC1(CCCC1N)CO Z1255430902 [0,1,0,1,0,0|2,0,0]=4 1077 B9R1.202 CN1CCCC1(C)CO Z4918241999 [0,1,0,1,0,0|2,0,0]=4 1078 B9R1.6 CC(=O)C1CCCCN1 Z1954800414 [0,1,0,1,0,0|1,0,1]=4 1079 B9R1.6 CC(=O)C1CCCOC1 Z1259153006 [0,1,0,1,0,0|1,0,1]=4 1080 B9R1.6 CC(=O)C1CCNCC1 Z1741977299 [0,1,0,1,0,0|1,0,1]=4 1081 B9R1.6 CC(=O)C1CCOCC1 Z1178490124 [0,1,0,1,0,0|1,0,1]=4 1082 B9R1.6 CC(=O)[C@@H]1CCCCN1 Z1618016835 [0,1,0,1,0,0|1,0,1]=4 1083 B9R1.6 CC(=O)[C@H]1CCCCN1 Z2234185612 [0,1,0,1,0,0|1,0,1]=4 1084 B9R1.6 CC(C)C1CCCCN1 Z1269638432 [0,1,0,1,0,0|1,0,0]=3 1085 B9R1.6 CC(C)C1CCCNC1 Z1201627016 [0,1,0,1,0,0|1,0,0]=3 1086 B9R1.6 CC(C)C1CCNCC1 Z1262398542 [0,1,0,1,0,0|1,0,0]=3 1087 B9R1.6 CC(C)C1CNCCN1 Z1198172518 [0,1,0,1,0,0|2,0,0]=4 1088 B9R1.6 CC(C)C1CNCCO1 Z1203831893 [0,1,0,1,0,0|2,0,0]=4 1089 B9R1.6 CC(C)C1CNCCS1 Z1270133000 [0,1,0,1,0,0|2,0,0]=4 1090 B9R1.6 CC(C)N1CCNCC1 Z228588846 [0,1,0,1,0,0|2,0,0]=4 1091 B9R1.6 CC(C)[C@@H]1COCCN1 Z3185478350 [0,1,0,1,0,0|2,0,0]=4 1092 B9R1.6 CC(N)C1CCCCC1 Z446020926 [0,1,0,1,0,0|0,0,0]=2 1093 B9R1.6 CC(N)C1CCOCC1 Z1178490395 [0,1,0,1,0,0|0,0,0]=2 1094 B9R1.6 CC(N)C1COCCO1 Z3482741168 [0,1,0,1,0,0|1,0,0]=3 1095 B9R1.6 CC(O)C1CCCCC1 Z445987098 [0,1,0,1,0,0|1,0,0]=3 1096 B9R1.6 CC(O)C1CCCCN1 Z995042172 [0,1,0,1,0,0|1,0,0]=3 1097 B9R1.6 CC(O)C1CCCNC1 Z431526982 [0,1,0,1,0,0|1,0,0]=3 1098 B9R1.6 CC(O)C1CCNCC1 Z995042164 [0,1,0,1,0,0|1,0,0]=3 1099 B9R1.6 CC(O)C1CCOCC1 Z1171215247 [0,1,0,1,0,0|1,0,0]=3 1100 B9R1.6 CC(O)C1CNCCO1 Z1203734763 [0,1,0,1,0,0|2,0,0]=4 1101 B9R1.6 CN(C)C1CCCNC1 Z415658510 [0,1,0,1,0,0|2,0,0]=4 1102 B9R1.6 CN(C)C1CCNCC1 Z317268642 [0,1,0,1,0,0|2,0,0]=4 1103 B9R1.6 C[C@@H](O)C1CCCCC1 Z959151676 [0,1,0,1,0,0|1,0,0]=3 1104 B9R1.6 FC(F)C1CCCCN1 Z1222423573 [0,1,0,1,0,0|2,0,0]=4 1105 B9R1.6 FC(F)C1CCCNC1 Z3036775855 [0,1,0,1,0,0|2,0,0]=4 1106 B9R1.6 FC(F)C1CCNCC1 Z1436472853 [0,1,0,1,0,0|2,0,0]=4 1107 B9R1.6 N=C(N)C1CCCCC1 Z317027412 [0,1,0,1,0,0|1,0,1]=4 1108 B9R1.6 N=C(N)C1CCCCN1 Z1269145449 [0,1,0,1,0,0|1,0,1]=4 1109 B9R1.6 N=C(N)C1CCCOC1 Z5597542232 [0,1,0,1,0,0|1,0,1]=4 1110 B9R1.6 N=C(N)C1CCOCC1 Z1582263016 [0,1,0,1,0,0|1,0,1]=4 1111 B9R1.6 N=C(N)N1CCCCC1 Z1582263025 [0,1,0,1,0,0|1,0,1]=4 1112 B9R1.6 NC(=O)C1CCCCC1 Z33546516 [0,1,0,1,0,0|1,0,1]=4 1113 B9R1.6 NC(=O)C1CCCCN1 Z90122010 [0,1,0,1,0,0|1,0,1]=4 1114 B9R1.6 NC(=O)C1CCCNC1 Z85932258 [0,1,0,1,0,0|1,0,1]=4 1115 B9R1.6 NC(=O)C1CCNCC1 Z1450533743 [0,1,0,1,0,0|1,0,1]=4 1116 B9R1.6 NC(=O)C1CCOCC1 Z82670321 [0,1,0,1,0,0|1,0,1]=4 1117 B9R1.6 NC(=O)N1CCCCC1 Z56917364 [0,1,0,1,0,0|1,0,1]=4 1118 B9R1.6 NC(=S)N1CCCCC1 Z56899022 [0,1,0,1,0,0|1,0,1]=4 1119 B9R1.9 CC1CC(C1)CCCN Z5102110275 [0,1,0,1,0,0|1,0,0]=3 1120 B9R1.9 CNCCC1CN(C1)C Z3671584205 [0,1,0,1,0,0|2,0,0]=4 1121 B9R1.9 CSCCC1CC(C1)N Z4800996772 [0,1,0,1,0,0|0,0,0]=2 1122 B9R1.24 CC1(CCCC1C#N)C Z1350877578 [0,1,0,1,0,0|1,0,1]=4 1123 B9R1.24 CC1(CCCC1CN)C Z1203586019 [0,1,0,1,0,0|1,0,0]=3 1124 B9R1.24 CC1(CNCC1CO)C Z3824732568 [0,1,0,1,0,0|2,0,0]=4 1125 B9R1.24 CC1(COCC1CN)C Z4913143803 [0,1,0,1,0,0|2,0,0]=4 1126 B9R1.24 CC1(NCCC1CO)C Z2732445891 [0,1,0,1,0,0|2,0,0]=4 1127 B9R1.24 CC1(OCCC1CN)C Z2575036803 [0,1,0,1,0,0|2,0,0]=4 1128 B9R1.24 CC1(SCCC1CN)C Z3070893276 [0,1,0,1,0,0|2,0,0]=4 1129 B9R1.24 COC1CCNC1(C)C Z2867580390 [0,1,0,1,0,0|2,0,0]=4 1130 B9R1.24 NCC1CCCC1(F)F Z2235681446 [0,1,0,1,0,0|2,0,0]=4 1131 B9R1.40 CC1(CCCCC1=O)C Z1238550479 [0,1,0,1,0,0|1,0,1]=4 1132 B9R1.40 CC1(CCCCC1N)C Z1203579141 [0,1,0,1,0,0|1,0,0]=3 1133 B9R1.40 CC1(CCCCC1O)C Z1350656299 [0,1,0,1,0,0|1,0,0]=3 1134 B9R1.40 CC1(CNCCC1O)C Z1198307024 [0,1,0,1,0,0|2,0,0]=4 1135 B9R1.40 CC1(NCCCC1O)C Z2733321182 [0,1,0,1,0,0|2,0,0]=4 1136 B9R1.40 CC1CCCCC1(C)O Z449370784 [0,1,0,1,0,0|1,0,0]=3 1137 B9R1.40 CC1CCNCC1(C)C Z1665098520 [0,1,0,1,0,0|1,0,0]=3 1138 B9R1.40 CC1CNCCC1(F)F Z2146515100 [0,1,0,1,0,0|2,0,0]=4 1139 B9R1.40 CC1NCCOC1(C)C Z1203830188 [0,1,0,1,0,0|2,0,0]=4 1140 B9R1.40 CC1OCCNC1(C)C Z4990294309 [0,1,0,1,0,0|2,0,0]=4 1141 B9R1.40 CN1CCNCC1(C)C Z1983080143 [0,1,0,1,0,0|2,0,0]=4 1142 B9R1.40 C[C@@H]1CCNC[C@]1(C)O Z2309893888 [0,1,0,1,0,0|1,0,0]=3 1143 B9R1.40 C[C@]1(CCNC[C@@H]1O)O Z4437808787 [0,1,0,1,0,0|2,0,0]=4 1144 B9R1.40 C[C@]1(CNCC[C@@H]1O)O Z3333750066 [0,1,0,1,0,0|2,0,0]=4 1145 B9R1.40 NC1CCCCC1(F)F Z1415893909 [0,1,0,1,0,0|2,0,0]=4 1146 B9R1.46 CC(C)NCC1CC1C Z1262237271 [0,1,0,1,0,0|1,0,0]=3 1147 B9R1.77 NCCCC1CC1(Cl)Cl Z2465610714 [0,1,0,1,0,0|2,0,0]=4 1148 B9R1.77 NCCCC1CC1(F)F Z2831442847 [0,1,0,1,0,0|2,0,0]=4 1149 B9R1.83 C=CCCCCC1CO1 Z1255356056 [0,1,0,1,0,0|1,0,1]=4 1150 B9R1.83 CCCCCCC1CO1 Z1020680070 [0,1,0,1,0,0|1,0,0]=3 1151 B9R1.83 CCCCOCC1CO1 Z409191626 [0,1,0,1,0,0|1,0,0]=3 1152 B9R1.83 CNCCOCC1CC1 Z839536900 [0,1,0,1,0,0|2,0,0]=4 1153 B9R1.83 COCCOCC1CO1 Z285181540 [0,1,0,1,0,0|2,0,0]=4 1154 B9R1.83 NCCOCCC1CC1 Z3629170058 [0,1,0,1,0,0|2,0,0]=4 1155 B9R1.83 O=CCCCCC1CC1 Z3002702510 [0,1,0,1,0,0|1,0,1]=4 1156 B9R1.83 OCCCCNC1CC1 Z839096664 [0,1,0,1,0,0|2,0,0]=4 1157 B9R1.83 OCCCOCC1CO1 Z4201876111 [0,1,0,1,0,0|2,0,0]=4 1158 B9R1.84 CC(C)COC1CNC1 Z1333043385 [0,1,0,1,0,0|2,0,0]=4 1159 B9R1.84 CN(C)CCC1CNC1 Z3847897945 [0,1,0,1,0,0|2,0,0]=4 1160 B9R1.85 CC(C)CCNC1CC1 Z324553108 [0,1,0,1,0,0|1,0,0]=3 1161 B9R1.85 CC(C)COCC1CO1 Z147642758 [0,1,0,1,0,0|2,0,0]=4 1162 B9R1.85 CC(C)OCCC1CO1 Z1495386355 [0,1,0,1,0,0|2,0,0]=4 1163 B9R1.85 CN(C)CCNC1CC1 Z1723418876 [0,1,0,1,0,0|2,0,0]=4 1164 B9R1.85 NC(=O)COCC1CC1 Z458887542 [0,1,0,1,0,0|1,0,1]=4 1165 B9R1.148 CC1(CCCCCC1)N Z1210869367 [0,1,0,1,0,0|0,0,0]=2 1166 B9R1.148 CC1(CCCCCC1)O Z449370874 [0,1,0,1,0,0|1,0,0]=3 1167 B9R1.148 CC1(CCCCNC1)C Z1504672380 [0,1,0,1,0,0|1,0,0]=3 1168 B9R1.148 CC1(CCCNCC1)C Z1258846913 [0,1,0,1,0,0|1,0,0]=3 1169 B9R1.148 CC1(CCCNCC1)O Z1945705132 [0,1,0,1,0,0|1,0,0]=3 1170 B9R1.148 CC1(CCNCCO1)C Z3033662169 [0,1,0,1,0,0|2,0,0]=4 1171 B9R1.148 CC1(CCNCCS1)C Z1681349216 [0,1,0,1,0,0|2,0,0]=4 1172 B9R1.148 CC1(CNCCCO1)C Z1269638431 [0,1,0,1,0,0|2,0,0]=4 1173 B9R1.148 CC1(CNCCNC1)O Z3606270690 [0,1,0,1,0,0|2,0,0]=4 1174 B9R1.148 CC1(CNCCOC1)C Z2310678918 [0,1,0,1,0,0|2,0,0]=4 1175 B9R1.148 CC1(CNCCOC1)O Z1999520497 [0,1,0,1,0,0|2,0,0]=4 1176 B9R1.148 N=S1(=O)CCCCCC1 Z3307350620 [0,1,0,1,0,0|1,0,1]=4 1177 B9R1.23 CCC1CC(C(=O)N1)C Z1203824349 [0,1,0,1,0,0|1,0,1]=4 1178 B9R1.23 CCN1CC(C(C1)N)C Z1268671316 [0,1,0,1,0,0|1,0,0]=3 1179 B9R1.35 CC(=O)N1CCC(C1)N Z1421529530 [0,1,0,1,0,0|1,0,1]=4 1180 B9R1.35 CC(=O)N1CC[C@H](C1)N Z4485354356 [0,1,0,1,0,0|1,0,1]=4 1181 B9R1.35 CC1COC(O1)C(C)C Z1198154966 [0,1,0,1,0,0|2,0,0]=4 1182 B9R1.35 CN(C)[C@@H]1CC[C@@H](C1)N Z2568756766 [0,1,0,1,0,0|1,0,0]=3 1183 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [0,1,0,1,0,0|1,0,1]=4 1184 B9R1.35 NC(=O)[C@H]1CC[C@H](C1)N Z2238896801 [0,1,0,1,0,0|1,0,1]=4 1185 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O Z2307368779 [0,1,0,1,0,0|1,0,1]=4 1186 B9R1.69 CC1CC(CCC1O)N Z1203641685 [0,1,0,1,0,0|0,0,0]=2 1187 B9R1.69 CC1CC(CCN1C)N Z825754018 [0,1,0,1,0,0|1,0,0]=3 1188 B9R1.69 CC1CCC(=O)C(C1)C Z854046072 [0,1,0,1,0,0|1,0,1]=4 1189 B9R1.69 CC1CCC(C(=O)C1)C Z1238548176 [0,1,0,1,0,0|1,0,1]=4 1190 B9R1.69 CC1CCC(C(=O)N1)C Z1203817414 [0,1,0,1,0,0|1,0,1]=4 1191 B9R1.69 CC1CCC(C(C1)C)N Z854046330 [0,1,0,1,0,0|1,0,0]=3 1192 B9R1.69 CC1CCC(C(C1)C)O Z854051758 [0,1,0,1,0,0|1,0,0]=3 1193 B9R1.69 CC1CCC(C(C1)O)C Z1201617039 [0,1,0,1,0,0|1,0,0]=3 1194 B9R1.69 CC1CCC(CC1C)O Z1201617040 [0,1,0,1,0,0|1,0,0]=3 1195 B9R1.69 CC1CN(CCC1N)C Z825754008 [0,1,0,1,0,0|2,0,0]=4 1196 B9R1.69 CC1CNC(C(C1)C)C Z1741798374 [0,1,0,1,0,0|2,0,0]=4 1197 B9R1.69 CC1CNC(C(N1)C)C Z4580644869 [0,1,0,1,0,0|1,0,0]=3 1198 B9R1.69 CC1CNC(C(O1)C)C Z1375709458 [0,1,0,1,0,0|2,0,0]=4 1199 B9R1.69 CC1NC(=O)CCC1N Z1509112048 [0,1,0,1,0,0|1,0,1]=4 1200 B9R1.69 NC1CC[C@H]([C@H](C1)O)O Z2936002015 [0,1,0,1,0,0|1,0,0]=3 1201 B9R1.106 CN1CCC(C1(C)C)N Z2867580383 [0,1,0,1,0,0|2,0,0]=4 1202 B9R1.106 CN1CCC(C1(C)C)O Z3288556368 [0,1,0,1,0,0|2,0,0]=4 1203 B9R1.107 CC1(C(CC1CN)O)C Z3248142559 [0,1,0,1,0,0|2,0,0]=4 1204 B9R1.107 COC1CC(C1(C)C)N Z1273094761 [0,1,0,1,0,0|2,0,0]=4 1205 B9R1.112 CC(C)C(C)NC1CC1 Z324553146 [0,1,0,1,0,0|2,0,0]=4 1206 B9R1.112 CC(N)C(=O)NC1CC1 Z1449762329 [0,1,0,1,0,0|1,0,1]=4 1207 B9R1.163 CC(=O)C1(CCCC1)N Z2736561944 [0,1,0,1,0,0|1,0,1]=4 1208 B9R1.163 CC(C)C1(CCCC1)O Z449370848 [0,1,0,1,0,0|1,0,0]=3 1209 B9R1.163 CC(C)C1(CCNC1)O Z3061184026 [0,1,0,1,0,0|2,0,0]=4 1210 B9R1.163 CC(O)C1(CCCO1)C Z1389051935 [0,1,0,1,0,0|2,0,0]=4 1211 B9R1.163 NC(=O)C1(CCCC1)N Z1267881706 [0,1,0,1,0,0|1,0,1]=4 1212 B9R1.163 NC(=O)C1(CCCC1)O Z965048590 [0,1,0,1,0,0|1,0,1]=4 1213 B9R1.163 NC1(CCCC1)C(F)F Z2111525544 [0,1,0,1,0,0|2,0,0]=4 1214 B9R1.10 CC1(CCC(=O)CC1)O Z1255440285 [0,1,0,1,0,0|1,0,1]=4 1215 B9R1.10 CC1(CCC(CC1)N)C Z1198179746 [0,1,0,1,0,0|1,0,0]=3 1216 B9R1.10 CC1(CCC(CC1)O)N Z3216195539 [0,1,0,1,0,0|0,0,0]=2 1217 B9R1.10 CC1(CCC(CC1)O)O Z1813153932 [0,1,0,1,0,0|1,0,0]=3 1218 B9R1.10 CC1(CCC(CN1)O)C Z3614373501 [0,1,0,1,0,0|2,0,0]=4 1219 B9R1.10 CC1CCC(CC1)(C)N Z1201055255 [0,1,0,1,0,0|0,0,0]=2 1220 B9R1.10 CC1CCC(CN1)(C)C Z3244598361 [0,1,0,1,0,0|2,0,0]=4 1221 B9R1.10 CN1CCC(CC1)(C)N Z1688198419 [0,1,0,1,0,0|1,0,0]=3 1222 B9R1.10 CN1CCC(CC1)(C)O Z600507484 [0,1,0,1,0,0|2,0,0]=4 1223 B9R1.10 C[C@@]1(CC[C@H](CC1)N)F Z3790481810 [0,1,0,1,0,0|1,0,0]=3 1224 B9R1.10 OC1CCC(CC1)(F)F Z1198272328 [0,1,0,1,0,0|2,0,0]=4 1225 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)N Z1147473951 [0,1,0,1,0,0|1,0,1]=4 1226 B9R1.125 CC1CCC(C1)(N)CO Z4381130473 [0,1,0,1,0,0|2,0,0]=4 1227 B9R1.133 CC1(CCC(C1)CN)C Z1262683542 [0,1,0,1,0,0|2,0,0]=4 1228 B9R1.133 CC1(CCC(N1)CO)C Z4358475031 [0,1,0,1,0,0|1,0,0]=3 1229 B9R1.133 CNC1CCC(C1)(C)C Z1946005329 [0,1,0,1,0,0|2,0,0]=4 1230 B9R1.133 CNC1CCC(C1)(F)F Z3398330350 [0,1,0,1,0,0|2,0,0]=4 1231 B9R1.133 NCC1CCC(C1)(F)F Z1222424707 [0,1,0,1,0,0|2,0,0]=4 1232 B9R1.133 OCC1CCC(C1)(F)F Z1618026262 [0,1,0,1,0,0|2,0,0]=4 1233 B9R1.185 CCC(=O)C1CC1(C)C Z1198323211 [0,1,0,1,0,0|1,0,1]=4 1234 B9R1.19 CC(C)(C)C1CCCN1 Z1269638483 [0,1,0,1,0,0|2,0,0]=4 1235 B9R1.19 CC(C)(C)C1CCNC1 Z1655103646 [0,1,0,1,0,0|2,0,0]=4 1236 B9R1.19 CC(C)(N)C1CCCO1 Z3045660680 [0,1,0,1,0,0|1,0,0]=3 1237 B9R1.19 CC(C)(N)C1CCOC1 Z5899487185 [0,1,0,1,0,0|1,0,0]=3 1238 B9R1.19 CC(C)(O)C1CCCN1 Z1192038961 [0,1,0,1,0,0|2,0,0]=4 1239 B9R1.19 CC(C)(O)C1CCNC1 Z3244488960 [0,1,0,1,0,0|2,0,0]=4 1240 B9R1.19 NS(=O)(=O)C1CCCC1 Z734461564 [0,1,0,1,0,0|2,0,0]=4 1241 B9R1.68 CC(C)(C)[C@@H]1CC[C@H]1N Z4966594217 [0,1,0,1,0,0|2,0,0]=4 1242 B9R1.114 CC(C)(C)CC1CCN1 Z3038078390 [0,1,0,1,0,0|2,0,0]=4 1243 B9R1.114 CC(C)(N)CC1CCC1 Z2313531975 [0,1,0,1,0,0|0,0,0]=2 1244 B9R1.114 NS(=O)(=O)CC1CCC1 Z1255498608 [0,1,0,1,0,0|2,0,0]=4 1245 B9R1.150 CC1(CCCC1(C)N)C Z3479673019 [0,1,0,1,0,0|0,0,0]=2 1246 B9R1.150 CC1(CCCC1(F)F)N Z2740416899 [0,1,0,1,0,0|1,0,0]=3 1247 B9R1.150 C[C@]1(CNC[C@@]1(C)Br)F Z4500052020 [0,1,0,1,0,0|2,0,0]=4 1248 B9R2.20 O=C1NC[C@H]2[C@@H]1CC2 Z3445405198 [0,0,0,2,0,0|1,0,1]=4 1249 B9R2.33 N[C@H]1C[C@@H]2CC[C@@H]2C1 Z4368396323 [0,0,0,2,0,0|0,0,0]=2 1250 B9R2.39 NC1CC2C=CC1C2 Z3024172904 [0,0,0,2,0,0|0,0,2]=4 1251 B9R2.39 NC1CC2CCC1C2 Z1250132652 [0,0,0,2,0,0|0,0,0]=2 1252 B9R2.39 NC1CC2CCC1O2 Z1203586766 [0,0,0,2,0,0|1,0,0]=3 1253 B9R2.39 NC1CN2CCC1C2 Z3490555917 [0,0,0,2,0,0|1,0,0]=3 1254 B9R2.39 N[C@@H]1C[C@H]2CC[C@@H]1O2 Z2442099637 [0,0,0,2,0,0|1,0,0]=3 1255 B9R2.39 N[C@H]1CC2CCC1O2 Z1270498447 [0,0,0,2,0,0|1,0,0]=3 1256 B9R2.39 O=C1NC2CCC1C2 Z1238833321 [0,0,0,2,0,0|1,0,1]=4 1257 B9R2.39 OC1CC2CCC1C2 Z104479470 [0,0,0,2,0,0|1,0,0]=3 1258 B9R2.39 OC1CC2CCC1O2 Z1255395449 [0,0,0,2,0,0|2,0,0]=4 1259 B9R2.39 OC1CN2CCC1C2 Z1270446274 [0,0,0,2,0,0|2,0,0]=4 1260 B9R2.39 O[C@@H]1C[C@H]2CN[C@@H]1C2 Z3288510014 [0,0,0,2,0,0|2,0,0]=4 1261 B9R2.59 CNC1CC2CC1C2 Z5810621032 [0,0,0,2,0,0|2,0,0]=4 1262 B9R2.68 C1=CC2CC(C1)CN2 Z3688945570 [0,0,0,2,0,0|0,0,2]=4 1263 B9R2.68 C1CC2CC(N1)CO2 Z3181698309 [0,0,0,2,0,0|1,0,0]=3 1264 B9R2.68 C1CC2CCC(C2)N1 Z3719007183 [0,0,0,2,0,0|0,0,0]=2 1265 B9R2.68 C1CC2CNCC1C2 Z1359881938 [0,0,0,2,0,0|2,0,0]=4 1266 B9R2.68 C1CC2CNCC1N2 Z1741980016 [0,0,0,2,0,0|1,0,0]=3 1267 B9R2.68 C1CC2CNCC1O2 Z1198181219 [0,0,0,2,0,0|2,0,0]=4 1268 B9R2.68 C1CC2COCC1N2 Z1203732330 [0,0,0,2,0,0|1,0,0]=3 1269 B9R2.68 C1CC2CSCC1N2 Z3013893876 [0,0,0,2,0,0|1,0,0]=3 1270 B9R2.68 C1CN2CCC(C2)N1 Z2234631228 [0,0,0,2,0,0|1,0,0]=3 1271 B9R2.68 C1NC2COCC1C2 Z4789051337 [0,0,0,2,0,0|1,0,0]=3 1272 B9R2.68 C1NC2CSCC1C2 Z5013438049 [0,0,0,2,0,0|1,0,0]=3 1273 B9R2.68 C1NCC2CC1CN2 Z3491361794 [0,0,0,2,0,0|1,0,0]=3 1274 B9R2.68 C1NCC2CC1CO2 Z1688198390 [0,0,0,2,0,0|2,0,0]=4 1275 B9R2.110 CC12CCC(N1)CC2 Z3212174238 [0,0,0,2,0,0|0,0,0]=2 1276 B9R2.110 NC12CCC(C1)CC2 Z1650039442 [0,0,0,2,0,0|0,0,0]=2 1277 B9R2.110 NC12CCC(C1)OC2 Z3444783709 [0,0,0,2,0,0|1,0,0]=3 1278 B9R2.110 NC12CCN(C1)CC2 Z2724010463 [0,0,0,2,0,0|1,0,0]=3 1279 B9R2.110 OC12CCN(C1)CC2 Z4459532026 [0,0,0,2,0,0|2,0,0]=4 1280 B9R2.139 NC1CCC2(C1)CC2 Z4102471449 [0,0,0,2,0,0|0,0,0]=2 1281 B9R2.8 CN1CC2CC(C1)N2 Z3013893659 [0,0,0,2,0,0|1,0,0]=3 1282 B9R2.21 O=C1CC2CC2CN1 Z2941655402 [0,0,0,2,0,0|1,0,1]=4 1283 B9R2.96 FC12CNCC(C1)C2 Z3569469644 [0,0,0,2,0,0|2,0,0]=4 1284 B9R2.7 CC1CC2C1CNC2 Z3035824168 [0,0,0,2,0,0|2,0,0]=4 1285 B9R2.7 NC1CC2C1CCC2 Z2866593007 [0,0,0,2,0,0|0,0,0]=2 1286 B9R2.7 N[C@@H]1C[C@H]2[C@@H]1COC2 Z2953725599 [0,0,0,2,0,0|1,0,0]=3 1287 B9R2.7 O=C1NC2C1CCC2 Z1250169685 [0,0,0,2,0,0|1,0,1]=4 1288 B9R2.7 O=C1N[C@H]2[C@@H]1CCC2 Z2307158154 [0,0,0,2,0,0|1,0,1]=4 1289 B9R2.7 O[C@@H]1C[C@@H]2[C@H]1CCN2 Z4343629833 [0,0,0,2,0,0|2,0,0]=4 1290 B9R2.7 O[C@@H]1C[C@H]2[C@@H]1CCN2 Z5042714030 [0,0,0,2,0,0|2,0,0]=4 1291 B9R2.34 NC1CC12CC(C2)O Z2865751435 [0,0,0,2,0,0|2,0,0]=4 1292 B9R2.41 NC1CC(=C2CC2)C1 Z3996551372 [0,0,0,2,0,0|0,0,2]=4 1293 B9R2.51 C1CCC2CC(C1)N2 Z5134646662 [0,0,0,2,0,0|0,0,0]=2 1294 B9R2.138 O=C1CC2(C1)CCC2 Z1398615561 [0,0,0,2,0,0|1,0,1]=4 1295 B9R2.138 O=C1CC2(N1)CCC2 Z1268152818 [0,0,0,2,0,0|1,0,1]=4 1296 B9R2.1 NC1CC12CCCC2 Z1863617847 [0,0,0,2,0,0|0,0,0]=2 1297 B9R2.2 C1CC(CN1)C2CC2 Z975825110 [0,0,0,2,0,0|2,0,0]=4 1298 B9R2.2 C1CC(CO1)C2CO2 Z1020680010 [0,0,0,2,0,0|2,0,0]=4 1299 B9R2.2 C1CCC(C1)C2CO2 Z1020679780 [0,0,0,2,0,0|1,0,0]=3 1300 B9R2.2 C1CNC(C1)C2CC2 Z1268152305 [0,0,0,2,0,0|2,0,0]=4 1301 B9R2.2 C1COC(C1)C2CO2 Z1504674596 [0,0,0,2,0,0|2,0,0]=4 1302 B9R2.95 CC1(C2C1CNC2)C Z1262398535 [0,0,0,2,0,0|2,0,0]=4 1303 B9R2.6 CC12CCCCC1O2 Z1255380027 [0,0,0,2,0,0|1,0,0]=3 1304 B9R2.6 NC12CCCCC1C2 Z2694811356 [0,0,0,2,0,0|0,0,0]=2 1305 B9R2.6 N[C@@]12CCOC[C@@H]1C2 Z4379876205 [0,0,0,2,0,0|1,0,0]=3 1306 B9R2.52 C1CCC2CC2NC1 Z4496337315 [0,0,0,2,0,0|0,0,0]=2 1307 B9R2.52 C1CCC2OC2CC1 Z278165186 [0,0,0,2,0,0|1,0,0]=3 1308 B9R2.123 NC1C2C1CCCC2 Z1335657662 [0,0,0,2,0,0|0,0,0]=2 1309 B9R2.123 NC1C2C1COCC2 Z3053117649 [0,0,0,2,0,0|1,0,0]=3 1310 B9R2.5 F[C@@H]1CCC[C@@]12CO2 Z3006439959 [0,0,0,2,0,0|2,0,0]=4 1311 B9R2.5 NC1CCCC12CC2 Z2690412247 [0,0,0,2,0,0|2,0,0]=4 1312 B9R2.14 C[C@]12CC[C@H]1CCN2 Z3409517740 [0,0,0,2,0,0|0,0,0]=2 1313 B9R2.14 N[C@]12CC[C@H]1CNC2 Z4989061547 [0,0,0,2,0,0|1,0,0]=3 1314 B9R2.36 NC1CCC1C2CC2 Z1966566405 [0,0,0,2,0,0|2,0,0]=4 1315 B9R2.157 C1CC(C1)NC2CC2 Z2718936440 [0,0,0,2,0,0|2,0,0]=4 1316 B9R2.69 C1CC1CCC2CO2 Z2238725689 [0,0,0,2,0,0|1,0,0]=3 1317 B9R2.79 NC[C@@H]1C[C@H]1C2CC2 Z2240803949 [0,0,0,2,0,0|2,0,0]=4 1318 B9R2.174 C1CC2(CCO1)CO2 Z1020679958 [0,0,0,2,0,0|2,0,0]=4 1319 B9R2.174 C1CC2(CCS1)CO2 Z1198313574 [0,0,0,2,0,0|2,0,0]=4 1320 B9R2.174 C1CCC2(CC1)CO2 Z359231458 [0,0,0,2,0,0|1,0,0]=3 1321 B9R2.174 C1CCC2(CC2)NC1 Z3014016765 [0,0,0,2,0,0|2,0,0]=4 1322 B9R2.174 C1CNCC2(C1)CC2 Z1718490696 [0,0,0,2,0,0|2,0,0]=4 1323 B9R2.174 C1COCC2(C1)CO2 Z1203154403 [0,0,0,2,0,0|2,0,0]=4