0 B7R0.1 C#CCOCCCN Z4502872707 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.1 CC#CCCCCO Z1233226212 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.1 CCCCCCCO Z104473596 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.1 CCCCCCNC Z5419328797 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.1 CCCCOCCN Z409191398 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.1 CCCOCCCO Z1080358966 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.1 CCNCCOCC Z138138014 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.1 CCOCCCC#N Z295205414 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.1 CCOCCCCO Z993012560 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.1 CCSCCCC#N Z332378682 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.1 CNCCCCCN Z4097840720 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.1 CNCCCCOC Z875082126 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.1 COCCCCC#N Z815260498 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.1 COCCCCCN Z608347192 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.1 COCCCCCO Z993012416 [0,0,0,0,0,0|3,0,0]=3 15 B7R0.1 COCCNCCF Z2512872814 [0,0,0,0,0,0|4,0,0]=4 16 B7R0.1 COCCNCCN Z2940670642 [0,0,0,0,0,0|3,0,0]=3 17 B7R0.1 COCCNCCO Z266088374 [0,0,0,0,0,0|4,0,0]=4 18 B7R0.1 COCCOCCN Z285178622 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.1 COCCOCCO Z849748688 [0,0,0,0,0,0|4,0,0]=4 20 B7R0.1 CSCCCCC#N Z823282284 [0,0,0,0,0,0|2,0,2]=4 21 B7R0.1 CSCCCCCN Z823285026 [0,0,0,0,0,0|2,0,0]=2 22 B7R0.1 CSCCCCCO Z968557058 [0,0,0,0,0,0|3,0,0]=3 23 B7R0.1 CSCCCCSC Z1198148193 [0,0,0,0,0,0|4,0,0]=4 24 B7R0.1 ClCCCNCCCl Z2242062238 [0,0,0,0,0,0|3,0,0]=3 25 B7R0.1 N#CCCNCCO Z53116581 [0,0,0,0,0,0|2,0,2]=4 26 B7R0.1 NCCCCCCN Z104473514 [0,0,0,0,0,0|0,0,0]=0 27 B7R0.1 NCCOCCCO Z2044949087 [0,0,0,0,0,0|2,0,0]=2 28 B7R0.1 NCCSCCCO Z406685362 [0,0,0,0,0,0|2,0,0]=2 29 B7R0.1 OCCCCCCBr Z1255398867 [0,0,0,0,0,0|2,0,0]=2 30 B7R0.1 OCCCCCCO Z104473540 [0,0,0,0,0,0|2,0,0]=2 31 B7R0.1 OCCCNCCO Z104654390 [0,0,0,0,0,0|3,0,0]=3 32 B7R0.1 OCCCOCCO Z1373668758 [0,0,0,0,0,0|3,0,0]=3 33 B7R0.1 OCCCSCCO Z149155194 [0,0,0,0,0,0|3,0,0]=3 34 B7R0.1 OCCSSCCO Z1255415413 [0,0,0,0,0,0|4,0,0]=4 35 B6R0.6 C#CCCCCN Z1431002697 [1,0,0,0,0,0|0,0,2]=3 36 B6R0.6 C#CCNCCC Z815264308 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.6 C#CCSCCN Z1250132324 [1,0,0,0,0,0|1,0,2]=4 38 B6R0.6 C=CCCCCN Z1198160046 [1,0,0,0,0,0|0,0,2]=3 39 B6R0.6 C=CCOCCN Z976678988 [1,0,0,0,0,0|1,0,2]=4 40 B6R0.6 C=CCSCCN Z1262237162 [1,0,0,0,0,0|1,0,2]=4 41 B6R0.6 CCC#CCCN Z1203585246 [1,0,0,0,0,0|0,0,2]=3 42 B6R0.6 CCCCCCO Z104473568 [1,0,0,0,0,0|1,0,0]=2 43 B6R0.6 CCCCN=C=S Z104473876 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.6 CCCNCC#N Z235653524 [1,0,0,0,0,0|1,0,2]=4 45 B6R0.6 CCCOCCN Z4449042604 [1,0,0,0,0,0|1,0,0]=2 46 B6R0.6 CCNCCCF Z1203824341 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.6 CCNCCCO Z138139914 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.6 CCNCCSC Z2412193591 [1,0,0,0,0,0|3,0,0]=4 49 B6R0.6 CCOCCCO Z1080358490 [1,0,0,0,0,0|2,0,0]=3 50 B6R0.6 CNCCCCN Z2939606540 [1,0,0,0,0,0|1,0,0]=2 51 B6R0.6 CNCCCCO Z839096662 [1,0,0,0,0,0|2,0,0]=3 52 B6R0.6 CNCCCOC Z137847932 [1,0,0,0,0,0|3,0,0]=4 53 B6R0.6 CNCCCSC Z102766932 [1,0,0,0,0,0|3,0,0]=4 54 B6R0.6 COCCCC#N Z295205400 [1,0,0,0,0,0|1,0,2]=4 55 B6R0.6 COCCCCO Z431605254 [1,0,0,0,0,0|2,0,0]=3 56 B6R0.6 CONCCCN Z2492414217 [1,0,0,0,0,0|2,0,0]=3 57 B6R0.6 ClCCNCCCl Z57388616 [1,0,0,0,0,0|3,0,0]=4 58 B6R0.6 FCCNCCF Z4880681336 [1,0,0,0,0,0|3,0,0]=4 59 B6R0.6 N#CCCCCN Z823279224 [1,0,0,0,0,0|0,0,2]=3 60 B6R0.6 N#CCCCCO Z431952150 [1,0,0,0,0,0|1,0,2]=4 61 B6R0.6 NCC#CCCO Z1203639371 [1,0,0,0,0,0|1,0,2]=4 62 B6R0.6 NCCC#CCO Z4947584692 [1,0,0,0,0,0|1,0,2]=4 63 B6R0.6 NCCCCCF Z3524160733 [1,0,0,0,0,0|1,0,0]=2 64 B6R0.6 NCCCCCN Z951173830 [1,0,0,0,0,0|0,0,0]=1 65 B6R0.6 NCCNCCN Z104475186 [1,0,0,0,0,0|1,0,0]=2 66 B6R0.6 OCCNCCO Z104475196 [1,0,0,0,0,0|3,0,0]=4 67 B8R0.1 COCCN(C)CCN Z415691186 [0,1,0,0,0,0|3,0,0]=4 68 B8R0.1 COCCS(=O)CCN Z4500883985 [0,1,0,0,0,0|3,0,0]=4 69 B8R0.4 C#CCCCCCCN Z3847490647 [0,1,0,0,0,0|1,0,0]=2 70 B8R0.4 C#CCCCCCCO Z1198157198 [0,1,0,0,0,0|2,0,0]=3 71 B8R0.4 C=CCCCCCCN Z1198263320 [0,1,0,0,0,0|1,0,0]=2 72 B8R0.4 CCCCCCCCO Z104473500 [0,1,0,0,0,0|2,0,0]=3 73 B8R0.4 CCCCCNCCO Z137800944 [0,1,0,0,0,0|2,0,0]=3 74 B8R0.4 CCCCNCCCC Z102766286 [0,1,0,0,0,0|2,0,0]=3 75 B8R0.4 CCCCNCCCO Z102766210 [0,1,0,0,0,0|2,0,0]=3 76 B8R0.4 CCNCCOCCN Z1323539868 [0,1,0,0,0,0|2,0,0]=3 77 B8R0.4 CCOCCOCCN Z2900987685 [0,1,0,0,0,0|2,0,0]=3 78 B8R0.4 COCCCNCCO Z382722010 [0,1,0,0,0,0|3,0,0]=4 79 B8R0.4 COCCNCCCN Z970105370 [0,1,0,0,0,0|2,0,0]=3 80 B8R0.4 COCCOCCCO Z1080358808 [0,1,0,0,0,0|3,0,0]=4 81 B8R0.4 NCCCCCCCN Z275166586 [0,1,0,0,0,0|0,0,0]=1 82 B8R0.4 NCCCCCCCO Z3016956569 [0,1,0,0,0,0|1,0,0]=2 83 B8R0.4 NCCCNCCCN Z1203577926 [0,1,0,0,0,0|0,0,0]=1 84 B8R0.4 OCCCNCCCO Z104684334 [0,1,0,0,0,0|2,0,0]=3 85 B8R0.6 CC(CO)CSCCO Z1270309408 [0,1,0,0,0,0|3,0,0]=4 86 B8R0.6 CCCCOC(=O)CN Z1266823221 [0,1,0,0,0,0|2,0,1]=4 87 B8R0.6 CNC(=O)CCCCN Z5282835224 [0,1,0,0,0,0|2,0,1]=4 88 B8R0.6 COC(=O)CCCCN Z854942764 [0,1,0,0,0,0|2,0,1]=4 89 B8R0.7 CC(=O)NCCCCN Z600498842 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.7 CC(C)CCCCCO Z1198149583 [0,1,0,0,0,0|2,0,0]=3 91 B8R0.7 CC(C)CCNCCO Z102766092 [0,1,0,0,0,0|3,0,0]=4 92 B8R0.7 CC(C)CCOCCO Z608482468 [0,1,0,0,0,0|3,0,0]=4 93 B8R0.7 CC(C)COCCCO Z1080358758 [0,1,0,0,0,0|3,0,0]=4 94 B8R0.7 CC(C)CSCCCN Z57970257 [0,1,0,0,0,0|2,0,0]=3 95 B8R0.7 CC(C)OCCCCO Z993012606 [0,1,0,0,0,0|3,0,0]=4 96 B8R0.7 CCCCCCC(=N)N Z4088236340 [0,1,0,0,0,0|1,0,1]=3 97 B8R0.7 CCCCCCC(=O)O Z104474412 [0,1,0,0,0,0|2,0,1]=4 98 B8R0.7 CCCCCCC(C)N Z104477186 [0,1,0,0,0,0|1,0,0]=2 99 B8R0.7 CCCCCNC(=N)N Z1090000368 [0,1,0,0,0,0|2,0,1]=4 100 B8R0.7 CCCCNCC(=O)N Z398513412 [0,1,0,0,0,0|2,0,1]=4 101 B8R0.7 CCSCCCC(=N)N Z1861964086 [0,1,0,0,0,0|2,0,1]=4 102 B8R0.7 CN(C)CCCCCN Z3247604067 [0,1,0,0,0,0|2,0,0]=3 103 B8R0.7 CN(C)CCCCCO Z968555516 [0,1,0,0,0,0|3,0,0]=4 104 B8R0.7 CNCCCCC(C)C Z5530305220 [0,1,0,0,0,0|3,0,0]=4 105 B8R0.7 COCCOCC(C)N Z1262237318 [0,1,0,0,0,0|3,0,0]=4 106 B8R0.7 N=C(N)NCCCCN Z2472857139 [0,1,0,0,0,0|1,0,1]=3 107 B8R0.7 N=C(N)SCCCCN Z4741653362 [0,1,0,0,0,0|1,0,1]=3 108 B8R0.7 NCCCCCC(=O)O Z1272730910 [0,1,0,0,0,0|1,0,1]=3 109 B8R0.7 NCCCOCC(=O)O Z3178895188 [0,1,0,0,0,0|2,0,1]=4 110 B8R0.7 NCCOCCC(=O)O Z1262546494 [0,1,0,0,0,0|2,0,1]=4 111 B8R0.7 O=C(O)CCCCCBr Z104477716 [0,1,0,0,0,0|2,0,1]=4 112 B8R0.7 O=C(O)CCCCCF Z1205494157 [0,1,0,0,0,0|2,0,1]=4 113 B8R0.7 OCCCOCC(F)F Z1532734938 [0,1,0,0,0,0|3,0,0]=4 114 B8R1.2 BrCC1CCCCO1 Z104484248 [0,0,0,1,0,0|2,0,0]=3 115 B8R1.2 C#CC1CCCCC1 Z1255457380 [0,0,0,1,0,0|2,0,1]=4 116 B8R1.2 C#CC1CCCCN1 Z2940715353 [0,0,0,1,0,0|1,0,1]=3 117 B8R1.2 C#CC1COCCN1 Z2235775085 [0,0,0,1,0,0|2,0,1]=4 118 B8R1.2 C=CC1CCCCN1 Z2142036752 [0,0,0,1,0,0|1,0,1]=3 119 B8R1.2 CCC1CCCCN1 Z839028612 [0,0,0,1,0,0|1,0,0]=2 120 B8R1.2 CCC1CCCNC1 Z381019246 [0,0,0,1,0,0|3,0,0]=4 121 B8R1.2 CCC1CCNCC1 Z1198394219 [0,0,0,1,0,0|3,0,0]=4 122 B8R1.2 CCC1CNCCN1 Z3234914816 [0,0,0,1,0,0|2,0,0]=3 123 B8R1.2 CCC1CNCCO1 Z283724556 [0,0,0,1,0,0|3,0,0]=4 124 B8R1.2 CCC1CNCCS1 Z1203735378 [0,0,0,1,0,0|3,0,0]=4 125 B8R1.2 CCC1COCCN1 Z405749950 [0,0,0,1,0,0|2,0,0]=3 126 B8R1.2 ClCC1CCOCO1 Z56932992 [0,0,0,1,0,0|3,0,0]=4 127 B8R1.2 ClCC1CNCCO1 Z1198749808 [0,0,0,1,0,0|3,0,0]=4 128 B8R1.2 FCC1CCCNC1 Z2768770399 [0,0,0,1,0,0|3,0,0]=4 129 B8R1.2 FCC1CNCCO1 Z1262569974 [0,0,0,1,0,0|3,0,0]=4 130 B8R1.2 N#CC1CCCCC1 Z210803886 [0,0,0,1,0,0|1,0,2]=4 131 B8R1.2 N#CC1CCCCN1 Z205012332 [0,0,0,1,0,0|0,0,2]=3 132 B8R1.2 N#CC1CCCCS1 Z1413800329 [0,0,0,1,0,0|1,0,2]=4 133 B8R1.2 N#CC1CNCCN1 Z1741976055 [0,0,0,1,0,0|1,0,2]=4 134 B8R1.2 N#CC1COCCN1 Z1198234963 [0,0,0,1,0,0|1,0,2]=4 135 B8R1.2 NCC1=CCCCC1 Z2230911155 [0,0,0,1,0,0|1,0,1]=3 136 B8R1.2 NCC1=CCCOC1 Z2096659348 [0,0,0,1,0,0|2,0,1]=4 137 B8R1.2 NCC1=CCOCC1 Z2234185641 [0,0,0,1,0,0|2,0,1]=4 138 B8R1.2 NCC1=NCCCN1 Z994488026 [0,0,0,1,0,0|1,0,1]=3 139 B8R1.2 NCC1CCCCC1 Z235354645 [0,0,0,1,0,0|1,0,0]=2 140 B8R1.2 NCC1CCCCO1 Z839575544 [0,0,0,1,0,0|1,0,0]=2 141 B8R1.2 NCC1CCCCS1 Z1318217220 [0,0,0,1,0,0|1,0,0]=2 142 B8R1.2 NCC1CCOCC1 Z440605454 [0,0,0,1,0,0|2,0,0]=3 143 B8R1.2 NCC1CCOCO1 Z1431005851 [0,0,0,1,0,0|2,0,0]=3 144 B8R1.2 NCC1COCCN1 Z2768165249 [0,0,0,1,0,0|1,0,0]=2 145 B8R1.2 NCC1CSCCN1 Z1203585142 [0,0,0,1,0,0|1,0,0]=2 146 B8R1.2 NCC1CSCCS1 Z1198167851 [0,0,0,1,0,0|2,0,0]=3 147 B8R1.2 NC[C@H]1CCCNC1 Z2686452674 [0,0,0,1,0,0|2,0,0]=3 148 B8R1.2 NOC1CCCCO1 Z968560364 [0,0,0,1,0,0|2,0,0]=3 149 B8R1.2 O=CC1CCCCC1 Z104478974 [0,0,0,1,0,0|2,0,1]=4 150 B8R1.2 O=CC1CCCCO1 Z1079442734 [0,0,0,1,0,0|2,0,1]=4 151 B8R1.2 OCC1C=CCCN1 Z4430264645 [0,0,0,1,0,0|1,0,2]=4 152 B8R1.2 OCC1CCCCC1 Z104503428 [0,0,0,1,0,0|2,0,0]=3 153 B8R1.2 OCC1CCCCN1 Z104476610 [0,0,0,1,0,0|1,0,0]=2 154 B8R1.2 OCC1CCCCO1 Z104479808 [0,0,0,1,0,0|2,0,0]=3 155 B8R1.2 OCC1CCCNC1 Z104479614 [0,0,0,1,0,0|3,0,0]=4 156 B8R1.2 OCC1CCCOC1 Z445213352 [0,0,0,1,0,0|3,0,0]=4 157 B8R1.2 OCC1CCNCC1 Z380864362 [0,0,0,1,0,0|3,0,0]=4 158 B8R1.2 OCC1CCOCC1 Z979753218 [0,0,0,1,0,0|3,0,0]=4 159 B8R1.2 OCC1CCSCC1 Z1198266791 [0,0,0,1,0,0|3,0,0]=4 160 B8R1.2 OCC1CNCCO1 Z1235945999 [0,0,0,1,0,0|3,0,0]=4 161 B8R1.2 OCC1COCCN1 Z2513335525 [0,0,0,1,0,0|2,0,0]=3 162 B8R1.2 OCC1COCCO1 Z1020816972 [0,0,0,1,0,0|3,0,0]=4 163 B8R1.2 OCC1CSCCN1 Z1203733048 [0,0,0,1,0,0|2,0,0]=3 164 B8R1.2 OC[C@H]1CCCCN1 Z1203731003 [0,0,0,1,0,0|1,0,0]=2 165 B8R1.5 CC1CCCCC1=O Z104477192 [0,0,0,1,0,0|2,0,1]=4 166 B8R1.5 CC1CCCCC1O Z104478402 [0,0,0,1,0,0|2,0,0]=3 167 B8R1.5 CC1CCCNC1C Z959345762 [0,0,0,1,0,0|3,0,0]=4 168 B8R1.5 CC1CCNCC1N Z4351244628 [0,0,0,1,0,0|2,0,0]=3 169 B8R1.5 CC1CCOCC1N Z3035821495 [0,0,0,1,0,0|2,0,0]=3 170 B8R1.5 CC1CNCCC1O Z1742055068 [0,0,0,1,0,0|3,0,0]=4 171 B8R1.5 CC1COCCC1N Z1868316869 [0,0,0,1,0,0|2,0,0]=3 172 B8R1.5 CC1COCCC1O Z1255390393 [0,0,0,1,0,0|3,0,0]=4 173 B8R1.5 CC1NCCCC1O Z2235409289 [0,0,0,1,0,0|3,0,0]=4 174 B8R1.5 C[C@@H]1CC=CC[C@H]1N Z2935743479 [0,0,0,1,0,0|1,0,2]=4 175 B8R1.5 C[C@@H]1CCCC[C@H]1O Z1896168809 [0,0,0,1,0,0|2,0,0]=3 176 B8R1.5 C[C@@H]1CCNC[C@@H]1O Z2307368538 [0,0,0,1,0,0|3,0,0]=4 177 B8R1.5 C[C@@H]1NCCC[C@@H]1N Z5041247026 [0,0,0,1,0,0|2,0,0]=3 178 B8R1.5 C[C@@H]1NCCC[C@@H]1O Z2568757708 [0,0,0,1,0,0|3,0,0]=4 179 B8R1.5 C[C@H]1CCCC[C@@H]1O Z1255486326 [0,0,0,1,0,0|2,0,0]=3 180 B8R1.5 C[C@H]1CCCC[C@H]1N Z3244401660 [0,0,0,1,0,0|1,0,0]=2 181 B8R1.5 NC1CCCCC1=O Z2186882796 [0,0,0,1,0,0|1,0,1]=3 182 B8R1.5 NC1CCCCC1N Z104474510 [0,0,0,1,0,0|0,0,0]=1 183 B8R1.5 NC1CCCNC1=O Z993991168 [0,0,0,1,0,0|2,0,1]=4 184 B8R1.5 NC1CCOCC1O Z2688974552 [0,0,0,1,0,0|2,0,0]=3 185 B8R1.5 NN1CCCCC1=O Z976663668 [0,0,0,1,0,0|2,0,1]=4 186 B8R1.5 N[C@@H]1CCCC[C@@H]1F Z2724313717 [0,0,0,1,0,0|1,0,0]=2 187 B8R1.5 N[C@@H]1CCCC[C@@H]1O Z2235399143 [0,0,0,1,0,0|1,0,0]=2 188 B8R1.5 N[C@@H]1COCC[C@H]1N Z4745609917 [0,0,0,1,0,0|1,0,0]=2 189 B8R1.5 N[C@@H]1COCC[C@H]1O Z2309916421 [0,0,0,1,0,0|2,0,0]=3 190 B8R1.5 N[C@H]1CCCC[C@@H]1N Z1147137780 [0,0,0,1,0,0|0,0,0]=1 191 B8R1.5 N[C@H]1CCCC[C@H]1N Z1203577984 [0,0,0,1,0,0|0,0,0]=1 192 B8R1.5 O=C1CCCCC1Cl Z94598693 [0,0,0,1,0,0|2,0,1]=4 193 B8R1.5 OC1CCCCC1O Z600453486 [0,0,0,1,0,0|2,0,0]=3 194 B8R1.5 OC1CCNCC1F Z1416168950 [0,0,0,1,0,0|3,0,0]=4 195 B8R1.5 OC1NCCCC1F Z3995268169 [0,0,0,1,0,0|3,0,0]=4 196 B8R1.5 O[C@@H]1CCCC[C@H]1O Z2240998867 [0,0,0,1,0,0|2,0,0]=3 197 B8R1.5 O[C@@H]1CNCC[C@H]1F Z2307343627 [0,0,0,1,0,0|3,0,0]=4 198 B8R1.8 CCCC1CCNC1 Z940902738 [0,0,0,1,0,0|3,0,0]=4 199 B8R1.8 CCCC1NCCS1 Z2144245754 [0,0,0,1,0,0|2,0,0]=3 200 B8R1.8 CCCN1CCCC1 Z4634999686 [0,0,0,1,0,0|3,0,0]=4 201 B8R1.8 CCNC1CCCC1 Z90513159 [0,0,0,1,0,0|3,0,0]=4 202 B8R1.8 CNCC1CCCC1 Z1162448850 [0,0,0,1,0,0|3,0,0]=4 203 B8R1.8 CNCC1CCCO1 Z137696198 [0,0,0,1,0,0|3,0,0]=4 204 B8R1.8 COCC1CCCN1 Z1342208414 [0,0,0,1,0,0|2,0,0]=3 205 B8R1.8 CSCC1CCCN1 Z839514412 [0,0,0,1,0,0|2,0,0]=3 206 B8R1.8 ClCCN1CCCC1 Z104489566 [0,0,0,1,0,0|3,0,0]=4 207 B8R1.8 N#CCC1CCCC1 Z804898574 [0,0,0,1,0,0|1,0,2]=4 208 B8R1.8 N#CCC1CCCO1 Z94601183 [0,0,0,1,0,0|1,0,2]=4 209 B8R1.8 NCCC1CC=CC1 Z2310699161 [0,0,0,1,0,0|1,0,2]=4 210 B8R1.8 NCCC1CCCC1 Z398556750 [0,0,0,1,0,0|1,0,0]=2 211 B8R1.8 NCCC1CCCO1 Z1245635808 [0,0,0,1,0,0|1,0,0]=2 212 B8R1.8 NCCC1CCCS1 Z2681242377 [0,0,0,1,0,0|1,0,0]=2 213 B8R1.8 NCCN1CCCC1 Z812516900 [0,0,0,1,0,0|2,0,0]=3 214 B8R1.8 O=CCC1CCCC1 Z993017732 [0,0,0,1,0,0|2,0,1]=4 215 B8R1.8 O=CCC1CCCO1 Z1183458964 [0,0,0,1,0,0|2,0,1]=4 216 B8R1.8 OCCC1CCCC1 Z397587408 [0,0,0,1,0,0|2,0,0]=3 217 B8R1.8 OCCC1CCCN1 Z1198148537 [0,0,0,1,0,0|1,0,0]=2 218 B8R1.8 OCCC1CCCO1 Z1183459210 [0,0,0,1,0,0|2,0,0]=3 219 B8R1.8 OCCC1CCNC1 Z1198184196 [0,0,0,1,0,0|3,0,0]=4 220 B8R1.8 OCCC1CCOC1 Z1138844344 [0,0,0,1,0,0|3,0,0]=4 221 B8R1.8 OCCN1CCCC1 Z104477730 [0,0,0,1,0,0|3,0,0]=4 222 B8R1.9 C[C@@H]1C[C@@H]1CCC=O Z4130582680 [0,0,0,1,0,0|2,0,1]=4 223 B8R1.9 C[C@@H]1C[C@H]1CCCN Z4081421787 [0,0,0,1,0,0|1,0,0]=2 224 B8R1.10 CCNCC1CCC1 Z1947443776 [0,0,0,1,0,0|3,0,0]=4 225 B8R1.10 NCCCC1CCC1 Z2522552643 [0,0,0,1,0,0|1,0,0]=2 226 B8R1.10 NCCOC1CCC1 Z959310784 [0,0,0,1,0,0|2,0,0]=3 227 B8R1.10 O=CCCC1CCC1 Z1717769279 [0,0,0,1,0,0|2,0,1]=4 228 B8R1.10 O=CCCC1CCO1 Z2327124310 [0,0,0,1,0,0|2,0,1]=4 229 B8R1.10 OCCOC1CCC1 Z959313250 [0,0,0,1,0,0|3,0,0]=4 230 B8R1.11 C=C[C@@H]1CCC[C@H]1O Z3015056914 [0,0,0,1,0,0|2,0,1]=4 231 B8R1.11 CC1CCCC1C#N Z1258611152 [0,0,0,1,0,0|1,0,2]=4 232 B8R1.11 CC1CCCC1C=O Z1268606470 [0,0,0,1,0,0|2,0,1]=4 233 B8R1.11 CC1CCNC1CO Z1203831515 [0,0,0,1,0,0|3,0,0]=4 234 B8R1.11 CC1NCCC1CO Z1255464335 [0,0,0,1,0,0|3,0,0]=4 235 B8R1.11 CCC1CCCC1=O Z813018310 [0,0,0,1,0,0|2,0,1]=4 236 B8R1.11 CCC1CCCC1N Z813018518 [0,0,0,1,0,0|1,0,0]=2 237 B8R1.11 CCC1CCNC1C Z1723849126 [0,0,0,1,0,0|3,0,0]=4 238 B8R1.11 CCC1CNCC1O Z1509030677 [0,0,0,1,0,0|3,0,0]=4 239 B8R1.11 CCC1NCCC1C Z1723849174 [0,0,0,1,0,0|3,0,0]=4 240 B8R1.11 CN1CCCC1CN Z326202522 [0,0,0,1,0,0|2,0,0]=3 241 B8R1.11 COC1CCCC1O Z854223428 [0,0,0,1,0,0|3,0,0]=4 242 B8R1.11 CO[C@@H]1CCC[C@@H]1N Z3847443224 [0,0,0,1,0,0|2,0,0]=3 243 B8R1.11 CO[C@@H]1CCC[C@H]1N Z2235777878 [0,0,0,1,0,0|2,0,0]=3 244 B8R1.11 CO[C@@H]1CCC[C@H]1O Z2286637815 [0,0,0,1,0,0|3,0,0]=4 245 B8R1.11 CO[C@H]1CCC[C@@H]1N Z905269870 [0,0,0,1,0,0|2,0,0]=3 246 B8R1.11 CO[C@H]1CCC[C@@H]1O Z1162417007 [0,0,0,1,0,0|3,0,0]=4 247 B8R1.11 CSC1CCCC1N Z1203642543 [0,0,0,1,0,0|2,0,0]=3 248 B8R1.11 C[C@@H]1CNC[C@H]1CO Z1955350046 [0,0,0,1,0,0|3,0,0]=4 249 B8R1.11 N#CC1CCCC1N Z985148518 [0,0,0,1,0,0|0,0,2]=3 250 B8R1.11 N#CC1CCCC1O Z409438998 [0,0,0,1,0,0|1,0,2]=4 251 B8R1.11 NCC1CCCC1N Z951173802 [0,0,0,1,0,0|0,0,0]=1 252 B8R1.11 NCC1CCCC1O Z409444212 [0,0,0,1,0,0|1,0,0]=2 253 B8R1.11 NC[C@@H]1COC[C@@H]1O Z2828229275 [0,0,0,1,0,0|2,0,0]=3 254 B8R1.11 NN[C@@H]1CCC[C@H]1O Z2350387396 [0,0,0,1,0,0|2,0,0]=3 255 B8R1.11 N[C@@H]1COC[C@@H]1CO Z2568674574 [0,0,0,1,0,0|2,0,0]=3 256 B8R1.11 N[C@H]1CCC[C@H]1CO Z1198220662 [0,0,0,1,0,0|1,0,0]=2 257 B8R1.11 OC[C@@H]1CNC[C@H]1F Z3069557183 [0,0,0,1,0,0|3,0,0]=4 258 B8R1.12 CO[C@@H]1CC[C@H]1CN Z4643457562 [0,0,0,1,0,0|2,0,0]=3 259 B8R1.17 CCC[C@@H]1C[C@H]1CN Z3247491743 [0,0,0,1,0,0|1,0,0]=2 260 B8R1.22 CC1CCCCNC1 Z1723849152 [0,0,0,1,0,0|3,0,0]=4 261 B8R1.22 CC1CCCNCC1 Z425362298 [0,0,0,1,0,0|3,0,0]=4 262 B8R1.22 CC1CCNCCN1 Z3006266627 [0,0,0,1,0,0|2,0,0]=3 263 B8R1.22 CC1CCNCCO1 Z2855997854 [0,0,0,1,0,0|3,0,0]=4 264 B8R1.22 CC1CCNCCS1 Z1270499064 [0,0,0,1,0,0|3,0,0]=4 265 B8R1.22 CC1CCOCCN1 Z2940715295 [0,0,0,1,0,0|2,0,0]=3 266 B8R1.22 CC1CCSCCN1 Z1839475384 [0,0,0,1,0,0|2,0,0]=3 267 B8R1.22 CC1CNCCCN1 Z1203732447 [0,0,0,1,0,0|2,0,0]=3 268 B8R1.22 CC1CNCCCO1 Z425722880 [0,0,0,1,0,0|3,0,0]=4 269 B8R1.22 CC1COCCCN1 Z1216819161 [0,0,0,1,0,0|2,0,0]=3 270 B8R1.22 CC1CSCCCN1 Z2895198847 [0,0,0,1,0,0|2,0,0]=3 271 B8R1.22 FC1CCCNCC1 Z1255416656 [0,0,0,1,0,0|3,0,0]=4 272 B8R1.22 NC1CCC=CCC1 Z2824346881 [0,0,0,1,0,0|1,0,2]=4 273 B8R1.22 NC1CCCCCC1 Z104477488 [0,0,0,1,0,0|1,0,0]=2 274 B8R1.22 NC1CCCSCC1 Z3102941972 [0,0,0,1,0,0|2,0,0]=3 275 B8R1.22 NC1COCCOC1 Z1463350443 [0,0,0,1,0,0|3,0,0]=4 276 B8R1.22 NC1CSCCSC1 Z4628238517 [0,0,0,1,0,0|3,0,0]=4 277 B8R1.22 O=C1CCCCCC1 Z104473100 [0,0,0,1,0,0|2,0,1]=4 278 B8R1.22 O=C1CCNCCN1 Z119989554 [0,0,0,1,0,0|2,0,1]=4 279 B8R1.22 O=C1CCOCCN1 Z821098578 [0,0,0,1,0,0|2,0,1]=4 280 B8R1.22 O=C1CCSCCN1 Z1198315286 [0,0,0,1,0,0|2,0,1]=4 281 B8R1.22 O=C1CNCCCN1 Z2756332573 [0,0,0,1,0,0|2,0,1]=4 282 B8R1.22 O=C1COCCCN1 Z1203733065 [0,0,0,1,0,0|2,0,1]=4 283 B8R1.22 OC1CCCNCC1 Z1198309797 [0,0,0,1,0,0|3,0,0]=4 284 B8R1.36 BrCCOCC1CO1 Z3038215664 [0,0,0,1,0,0|3,0,0]=4 285 B8R1.36 CCCCNC1CC1 Z361993970 [0,0,0,1,0,0|3,0,0]=4 286 B8R1.36 CCNCCC1CC1 Z826524836 [0,0,0,1,0,0|3,0,0]=4 287 B8R1.36 CCOCCC1CO1 Z1495386137 [0,0,0,1,0,0|3,0,0]=4 288 B8R1.36 NCCCOC1CC1 Z5593566245 [0,0,0,1,0,0|2,0,0]=3 289 B8R1.36 NCCNCC1CC1 Z2941505334 [0,0,0,1,0,0|2,0,0]=3 290 B8R1.36 NCCOCC1CC1 Z1266854848 [0,0,0,1,0,0|2,0,0]=3 291 B8R1.36 NCCSCC1CC1 Z431958616 [0,0,0,1,0,0|2,0,0]=3 292 B8R1.36 O=CCCCC1CC1 Z1511869605 [0,0,0,1,0,0|2,0,1]=4 293 B8R1.36 OCCCNC1CC1 Z138414456 [0,0,0,1,0,0|3,0,0]=4 294 B8R1.36 OCCNCC1CC1 Z335251956 [0,0,0,1,0,0|3,0,0]=4 295 B8R1.36 OCCOCC1CC1 Z854231442 [0,0,0,1,0,0|3,0,0]=4 296 B8R1.36 OCCOCC1CO1 Z332379868 [0,0,0,1,0,0|3,0,0]=4 297 B8R1.49 C1CCCNCCC1 Z104480232 [0,0,0,1,0,0|1,0,0]=2 298 B5R0.2 C#CCCCN Z1945700461 [2,0,0,0,0,0|0,0,2]=4 299 B5R0.2 C/C=C/CCN Z1268152372 [2,0,0,0,0,0|0,0,2]=4 300 B5R0.2 C=CCCCN Z993058434 [2,0,0,0,0,0|0,0,2]=4 301 B5R0.2 CCC#CCN Z4935566672 [2,0,0,0,0,0|0,0,2]=4 302 B5R0.2 CCCCC=O Z104472992 [2,0,0,0,0,0|1,0,1]=4 303 B5R0.2 CCCCCN Z104472246 [2,0,0,0,0,0|0,0,0]=2 304 B5R0.2 CCCNCC Z138446288 [2,0,0,0,0,0|1,0,0]=3 305 B5R0.2 CCNCCF Z1198305484 [2,0,0,0,0,0|2,0,0]=4 306 B5R0.2 CCNCCO Z1258992395 [2,0,0,0,0,0|2,0,0]=4 307 B5R0.2 CCNOCC Z223690220 [2,0,0,0,0,0|2,0,0]=4 308 B5R0.2 CCOCCN Z271005962 [2,0,0,0,0,0|1,0,0]=3 309 B5R0.2 CCOCCO Z104473122 [2,0,0,0,0,0|2,0,0]=4 310 B5R0.2 CCSCCN Z3061111063 [2,0,0,0,0,0|1,0,0]=3 311 B5R0.2 CNCCCO Z104756980 [2,0,0,0,0,0|2,0,0]=4 312 B5R0.2 CNCCOC Z1259162131 [2,0,0,0,0,0|2,0,0]=4 313 B5R0.2 CNCCSC Z1398461959 [2,0,0,0,0,0|2,0,0]=4 314 B5R0.2 COCCCO Z431517702 [2,0,0,0,0,0|2,0,0]=4 315 B5R0.2 COCCOC Z104473014 [2,0,0,0,0,0|2,0,0]=4 316 B5R0.2 N#CCCCN Z1649677743 [2,0,0,0,0,0|0,0,2]=4 317 B5R0.2 NC/C=C/CN Z2235386837 [2,0,0,0,0,0|0,0,2]=4 318 B5R0.2 NCCCCF Z2177031126 [2,0,0,0,0,0|1,0,0]=3 319 B5R0.2 NCCCCN Z104472592 [2,0,0,0,0,0|0,0,0]=2 320 B7R0.3 CC(CN)CCCO Z2234185702 [1,1,0,0,0,0|1,0,0]=3 321 B7R0.3 CCC(=O)NCCN Z1455674775 [1,1,0,0,0,0|1,0,1]=4 322 B7R0.3 CCC(C)NCCO Z335251014 [1,1,0,0,0,0|2,0,0]=4 323 B7R0.3 CCC(N)CCOC Z818738108 [1,1,0,0,0,0|2,0,0]=4 324 B7R0.3 CCC(O)CCCN Z1259162031 [1,1,0,0,0,0|0,0,0]=2 325 B7R0.3 CCCCC(=O)CC Z406378226 [1,1,0,0,0,0|1,0,1]=4 326 B7R0.3 CCCCC(C)NC Z446022384 [1,1,0,0,0,0|2,0,0]=4 327 B7R0.3 CCCCC(N)CC Z3303777618 [1,1,0,0,0,0|1,0,0]=3 328 B7R0.3 CCCCC(N)CN Z756921038 [1,1,0,0,0,0|0,0,0]=2 329 B7R0.3 CCNCC(C)CC Z335456758 [1,1,0,0,0,0|2,0,0]=4 330 B7R0.3 CCNCC(O)CC Z600449680 [1,1,0,0,0,0|2,0,0]=4 331 B7R0.3 CCOCC(O)CN Z271097110 [1,1,0,0,0,0|1,0,0]=3 332 B7R0.3 CCOCC(O)CO Z1178483452 [1,1,0,0,0,0|2,0,0]=4 333 B7R0.3 CNC(=O)CCCN Z451350656 [1,1,0,0,0,0|1,0,1]=4 334 B7R0.3 COCCC(C)CN Z879061310 [1,1,0,0,0,0|1,0,0]=3 335 B7R0.4 CC(=O)NCCCN Z295405102 [1,1,0,0,0,0|1,0,1]=4 336 B7R0.4 CC(C)CCCCN Z1250132304 [1,1,0,0,0,0|0,0,0]=2 337 B7R0.4 CC(C)CNCCO Z3269089575 [1,1,0,0,0,0|2,0,0]=4 338 B7R0.4 CC(C)COCCN Z594038266 [1,1,0,0,0,0|1,0,0]=3 339 B7R0.4 CC(C)CSCCN Z1520645037 [1,1,0,0,0,0|1,0,0]=3 340 B7R0.4 CC(C)NCCCO Z56799938 [1,1,0,0,0,0|2,0,0]=4 341 B7R0.4 CC(C)OCCCN Z2677507870 [1,1,0,0,0,0|1,0,0]=3 342 B7R0.4 CC(C)OCCCO Z1080358780 [1,1,0,0,0,0|2,0,0]=4 343 B7R0.4 CC(N)CCCCN Z2186882580 [1,1,0,0,0,0|0,0,0]=2 344 B7R0.4 CC(N)CCCCO Z2234185667 [1,1,0,0,0,0|1,0,0]=3 345 B7R0.4 CCCCCC(=N)N Z3490473907 [1,1,0,0,0,0|0,0,1]=3 346 B7R0.4 CCCCCC(=O)O Z104503532 [1,1,0,0,0,0|1,0,1]=4 347 B7R0.4 CCCCCC(C)N Z104495176 [1,1,0,0,0,0|0,0,0]=2 348 B7R0.4 CCCCNC(=S)N Z56930717 [1,1,0,0,0,0|1,0,1]=4 349 B7R0.4 CCCCOC(=O)N Z104476286 [1,1,0,0,0,0|1,0,1]=4 350 B7R0.4 CCCNCC(=O)N Z2211231296 [1,1,0,0,0,0|1,0,1]=4 351 B7R0.4 CCCNCC(C)C Z90518190 [1,1,0,0,0,0|2,0,0]=4 352 B7R0.4 CCCNCC(F)F Z1262250827 [1,1,0,0,0,0|2,0,0]=4 353 B7R0.4 CCNCCC(=O)N Z2681234913 [1,1,0,0,0,0|1,0,1]=4 354 B7R0.4 CN(C)CCCCN Z285162754 [1,1,0,0,0,0|1,0,0]=3 355 B7R0.4 COCCCC(=N)N Z1267882086 [1,1,0,0,0,0|1,0,1]=4 356 B7R0.4 COCCCC(C)O Z854048762 [1,1,0,0,0,0|2,0,0]=4 357 B7R0.4 NCCCCC(=O)N Z1639630947 [1,1,0,0,0,0|0,0,1]=3 358 B7R0.4 NCCCCC(=O)O Z271111992 [1,1,0,0,0,0|1,0,1]=4 359 B7R0.4 NCCCCC(F)F Z4580667156 [1,1,0,0,0,0|1,0,0]=3 360 B7R0.4 NCCCOC(=O)N Z3337481796 [1,1,0,0,0,0|1,0,1]=4 361 B7R0.4 NCCCSC(F)F Z4644353863 [1,1,0,0,0,0|2,0,0]=4 362 B7R0.4 NCCOCC(=O)N Z1428158847 [1,1,0,0,0,0|1,0,1]=4 363 B7R0.7 CCCC(C)CCN Z2768767726 [1,1,0,0,0,0|0,0,0]=2 364 B7R0.7 CCCC(C)CNC Z3214687920 [1,1,0,0,0,0|2,0,0]=4 365 B7R0.7 CCCC(O)CCO Z1198158209 [1,1,0,0,0,0|1,0,0]=3 366 B7R0.7 CCNC(=O)CCN Z1449756826 [1,1,0,0,0,0|1,0,1]=4 367 B7R0.7 COCC(N)CCO Z1238548168 [1,1,0,0,0,0|2,0,0]=4 368 B7R0.7 COCC(O)CCN Z1182310348 [1,1,0,0,0,0|1,0,0]=3 369 B7R0.7 NCCC(N)CCN Z4461966452 [1,1,0,0,0,0|0,0,0]=2 370 B7R0.7 NCCC(O)CCN Z4497194547 [1,1,0,0,0,0|0,0,0]=2 371 B9R0.5 CCCCCC(O)CCO Z1198158015 [0,2,0,0,0,0|2,0,0]=4 372 B9R0.5 CCOC(=O)CCCCN Z1741976369 [0,2,0,0,0,0|1,0,1]=4 373 B9R0.5 COCCCN(C)CCN Z608346606 [0,2,0,0,0,0|2,0,0]=4 374 B9R0.18 CCCCC(N)CCCC Z5099120554 [0,2,0,0,0,0|2,0,0]=4 375 B9R0.18 COCCN(C)CCCN Z319975860 [0,2,0,0,0,0|2,0,0]=4 376 B9R0.40 CCCCC(CN)CCC Z992309480 [0,2,0,0,0,0|2,0,0]=4 377 B9R0.2 CC(C)NCCOCCN Z1323539861 [0,2,0,0,0,0|2,0,0]=4 378 B9R0.2 CCCCCCCC(=O)O Z104495238 [0,2,0,0,0,0|2,0,0]=4 379 B9R0.2 CCCCCCNC(=S)N Z55992996 [0,2,0,0,0,0|1,0,1]=4 380 B9R0.2 CCCCCNCC(=O)N Z104536260 [0,2,0,0,0,0|1,0,1]=4 381 B9R0.2 CCCNCCCN(C)C Z334950180 [0,2,0,0,0,0|2,0,0]=4 382 B9R0.2 NCCCCCCC(=O)O Z56896351 [0,2,0,0,0,0|1,0,0]=3 383 B9R0.2 NCCOCCCC(=O)O Z5080450038 [0,2,0,0,0,0|1,0,1]=4 384 B9R0.45 CCCCCCCCCO Z104476100 [0,2,0,0,0,0|2,0,0]=4 385 B9R0.45 CCCCCCCNC=O Z1203732044 [0,2,0,0,0,0|1,0,0]=3 386 B9R0.45 CCCCCCNCCO Z137800948 [0,2,0,0,0,0|2,0,0]=4 387 B9R0.45 CCCCOCCCCO Z993012624 [0,2,0,0,0,0|2,0,0]=4 388 B9R0.45 CNCCOCCCOC Z839536458 [0,2,0,0,0,0|2,0,0]=4 389 B9R0.45 COCCOCCCCN Z285178626 [0,2,0,0,0,0|1,0,0]=3 390 B9R0.45 NCCCCCCCCN Z1203577927 [0,2,0,0,0,0|0,0,0]=2 391 B9R0.45 NCCCCCCCCO Z4745386600 [0,2,0,0,0,0|1,0,0]=3 392 B9R0.45 NCCSCCSCCN Z2740753669 [0,2,0,0,0,0|0,0,0]=2 393 B9R0.45 OCCCCCOCCO Z1897250794 [0,2,0,0,0,0|2,0,0]=4 394 B9R0.45 OCCOCCOCCF Z1618124684 [0,2,0,0,0,0|2,0,0]=4 395 B9R0.45 OCCOCCOCCO Z104476078 [0,2,0,0,0,0|2,0,0]=4 396 B9R0.45 OCCOCCSCCO Z756091788 [0,2,0,0,0,0|2,0,0]=4 397 B9R0.46 CCCCCCC(C)CO Z1238840360 [0,2,0,0,0,0|2,0,0]=4 398 B9R0.46 CCCCCCC(C)NN Z1691545122 [0,2,0,0,0,0|1,0,0]=3 399 B9R0.46 CCCCCCC(C)OC Z1416182763 [0,2,0,0,0,0|2,0,0]=4 400 B9R0.46 CCCCCCC(N)CC Z5869944669 [0,2,0,0,0,0|1,0,0]=3 401 B9R0.46 COC(=O)CCCCCN Z57012282 [0,2,0,0,0,0|1,0,1]=4 402 B9R0.1 CC(C)CCCC(C)CN Z5875145536 [0,2,0,0,0,0|1,0,0]=3 403 B9R0.1 CC(C)COCC(O)CN Z285181512 [0,2,0,0,0,0|2,0,0]=4 404 B9R0.20 CCCCCC(C)(C)CN Z995183114 [0,2,0,0,0,0|1,0,0]=3 405 B9R0.47 CC(C)N(C)CCCCN Z285162634 [0,2,0,0,0,0|2,0,0]=4 406 B9R0.47 NCCCCC(N)C(=O)O Z57127389 [0,2,0,0,0,0|1,0,1]=4 407 B9R0.47 NCCCC[C@H](N)C(=O)O Z812534818 [0,2,0,0,0,0|1,0,1]=4 408 B9R0.50 CCN(CC)CCCCN Z802671710 [0,2,0,0,0,0|2,0,0]=4 409 B9R0.38 CS(=O)(=O)CCCCCN Z1723549314 [0,2,0,0,0,0|2,0,0]=4 410 B9R0.38 NCCCOCC(F)(F)F Z432066840 [0,2,0,0,0,0|2,0,0]=4 411 B9R0.38 NCCNCCC(F)(F)F Z1101433535 [0,2,0,0,0,0|2,0,0]=4 412 B9R0.38 NCCOCCS(=O)(=O)N Z2065464324 [0,2,0,0,0,0|2,0,0]=4 413 B9R0.55 CC(N)CCCCC(=O)O Z1276446933 [0,2,0,0,0,0|1,0,1]=4 414 B7R1.1 BrCC1CCCO1 Z90660999 [1,0,0,1,0,0|2,0,0]=4 415 B7R1.1 C#CC1CCCN1 Z1203832764 [1,0,0,1,0,0|0,0,2]=4 416 B7R1.1 CCC1CCCN1 Z281773802 [1,0,0,1,0,0|0,0,0]=2 417 B7R1.1 CCC1CCNC1 Z1407004100 [1,0,0,1,0,0|2,0,0]=4 418 B7R1.1 CNC1CCCC1 Z102766802 [1,0,0,1,0,0|2,0,0]=4 419 B7R1.1 ClCC1CCCO1 Z56893271 [1,0,0,1,0,0|2,0,0]=4 420 B7R1.1 FCC1CCCN1 Z2216711551 [1,0,0,1,0,0|1,0,0]=3 421 B7R1.1 N#CC1CCCC1 Z285131394 [1,0,0,1,0,0|0,0,2]=4 422 B7R1.1 NCC1=NCCN1 Z2714784585 [1,0,0,1,0,0|1,0,1]=4 423 B7R1.1 NCC1C=CCC1 Z2768196818 [1,0,0,1,0,0|0,0,2]=4 424 B7R1.1 NCC1CC=CC1 Z2310699469 [1,0,0,1,0,0|0,0,2]=4 425 B7R1.1 NCC1CCCC1 Z367452206 [1,0,0,1,0,0|0,0,0]=2 426 B7R1.1 NCC1CCCS1 Z1201677924 [1,0,0,1,0,0|1,0,0]=3 427 B7R1.1 NCC1COCO1 Z2298138033 [1,0,0,1,0,0|2,0,0]=4 428 B7R1.1 NC[C@@H]1CCCN1 Z3235020468 [1,0,0,1,0,0|0,0,0]=2 429 B7R1.1 NC[C@H]1CCCN1 Z1483956794 [1,0,0,1,0,0|0,0,0]=2 430 B7R1.1 NNC1CCCC1 Z285139110 [1,0,0,1,0,0|1,0,0]=3 431 B7R1.1 O=CC1CCCC1 Z875036058 [1,0,0,1,0,0|1,0,1]=4 432 B7R1.1 OCC1CCCC1 Z397587414 [1,0,0,1,0,0|1,0,0]=3 433 B7R1.1 OCC1CCCN1 Z825308062 [1,0,0,1,0,0|1,0,0]=3 434 B7R1.1 OCC1CCCS1 Z1201679857 [1,0,0,1,0,0|2,0,0]=4 435 B7R1.1 OCC1CCNC1 Z976722188 [1,0,0,1,0,0|2,0,0]=4 436 B7R1.1 OCC1CCOC1 Z335245192 [1,0,0,1,0,0|2,0,0]=4 437 B7R1.1 OCC1CCSC1 Z1201679855 [1,0,0,1,0,0|2,0,0]=4 438 B7R1.1 OC[C@@H]1CCCN1 Z1123715411 [1,0,0,1,0,0|1,0,0]=3 439 B7R1.3 CC1CNCCN1 Z104480242 [1,0,0,1,0,0|1,0,0]=3 440 B7R1.3 CC1CNCCO1 Z204013884 [1,0,0,1,0,0|2,0,0]=4 441 B7R1.3 CC1CNCCS1 Z334686272 [1,0,0,1,0,0|2,0,0]=4 442 B7R1.3 CC1COCCN1 Z336087928 [1,0,0,1,0,0|1,0,0]=3 443 B7R1.3 CC1CSCCN1 Z334686282 [1,0,0,1,0,0|1,0,0]=3 444 B7R1.3 C[C@H]1CCCNC1 Z1895741201 [1,0,0,1,0,0|2,0,0]=4 445 B7R1.3 C[C@H]1CNCCN1 Z1187834254 [1,0,0,1,0,0|1,0,0]=3 446 B7R1.3 FC1CCNCC1 Z1741960061 [1,0,0,1,0,0|2,0,0]=4 447 B7R1.3 NC1=NCCCC1 Z1723418848 [1,0,0,1,0,0|0,0,2]=4 448 B7R1.3 NC1=NCCCN1 Z1259041088 [1,0,0,1,0,0|1,0,1]=4 449 B7R1.3 NC1C=CCCC1 Z1203579654 [1,0,0,1,0,0|0,0,2]=4 450 B7R1.3 NC1CCCCC1 Z1945707495 [1,0,0,1,0,0|0,0,0]=2 451 B7R1.3 NC1CCCOC1 Z1013492300 [1,0,0,1,0,0|1,0,0]=3 452 B7R1.3 NC1CCCSC1 Z1029463244 [1,0,0,1,0,0|1,0,0]=3 453 B7R1.3 NC1CCOCC1 Z600428352 [1,0,0,1,0,0|1,0,0]=3 454 B7R1.3 NC1CCSCC1 Z992716928 [1,0,0,1,0,0|1,0,0]=3 455 B7R1.3 O=C1CCCCC1 Z104474256 [1,0,0,1,0,0|1,0,1]=4 456 B7R1.3 O=C1CCCCN1 Z168817684 [1,0,0,1,0,0|1,0,1]=4 457 B7R1.3 OC1CCCCC1 Z104473498 [1,0,0,1,0,0|1,0,0]=3 458 B7R1.3 OC1CCCSC1 Z993818972 [1,0,0,1,0,0|2,0,0]=4 459 B7R1.3 OC1CCNCC1 Z56347197 [1,0,0,1,0,0|2,0,0]=4 460 B7R1.3 OC1CCOCC1 Z1359429523 [1,0,0,1,0,0|2,0,0]=4 461 B7R1.4 CC1CCCC1=O Z813018382 [1,0,0,1,0,0|1,0,1]=4 462 B7R1.4 CC1CCCC1N Z1219738990 [1,0,0,1,0,0|0,0,0]=2 463 B7R1.4 CC1CCNC1C Z1335657674 [1,0,0,1,0,0|2,0,0]=4 464 B7R1.4 CC1CNCC1C Z1281657986 [1,0,0,1,0,0|2,0,0]=4 465 B7R1.4 CC1SCCC1N Z2408712737 [1,0,0,1,0,0|1,0,0]=3 466 B7R1.4 C[C@@H]1CCC[C@@H]1N Z2309845262 [1,0,0,1,0,0|0,0,0]=2 467 B7R1.4 C[C@@H]1CCC[C@H]1N Z2568757690 [1,0,0,1,0,0|0,0,0]=2 468 B7R1.4 C[C@@H]1CNC[C@@H]1O Z2309845194 [1,0,0,1,0,0|2,0,0]=4 469 B7R1.4 C[C@@H]1NCC[C@H]1O Z2235678880 [1,0,0,1,0,0|2,0,0]=4 470 B7R1.4 C[C@H]1OCC[C@H]1N Z2186882122 [1,0,0,1,0,0|1,0,0]=3 471 B7R1.4 N[C@@H]1CCC[C@@H]1O Z2306841441 [1,0,0,1,0,0|1,0,0]=3 472 B7R1.4 N[C@@H]1CCC[C@H]1N Z2786079696 [1,0,0,1,0,0|0,0,0]=2 473 B7R1.4 N[C@@H]1CCC[C@H]1O Z2256393934 [1,0,0,1,0,0|1,0,0]=3 474 B7R1.4 N[C@@H]1COC[C@@H]1F Z2756848808 [1,0,0,1,0,0|2,0,0]=4 475 B7R1.4 N[C@@H]1COC[C@H]1F Z4185697479 [1,0,0,1,0,0|2,0,0]=4 476 B7R1.4 N[C@@H]1COC[C@H]1N Z2306914123 [1,0,0,1,0,0|1,0,0]=3 477 B7R1.4 N[C@@H]1CSC[C@@H]1O Z3068057819 [1,0,0,1,0,0|2,0,0]=4 478 B7R1.4 N[C@H]1CCC[C@@H]1O Z1197994837 [1,0,0,1,0,0|1,0,0]=3 479 B7R1.4 N[C@H]1CNC[C@H]1N Z4670285097 [1,0,0,1,0,0|1,0,0]=3 480 B7R1.4 OC1CCCC1O Z600452564 [1,0,0,1,0,0|2,0,0]=4 481 B7R1.5 CC1CC1CCN Z4888675966 [1,0,0,1,0,0|0,0,0]=2 482 B7R1.5 CCC[C@@H]1C[C@H]1N Z2298098035 [1,0,0,1,0,0|0,0,0]=2 483 B7R1.5 CNCC1CC1C Z3752925195 [1,0,0,1,0,0|2,0,0]=4 484 B7R1.6 CCCC1CNC1 Z2310679174 [1,0,0,1,0,0|2,0,0]=4 485 B7R1.6 CCNC1CCC1 Z2144245483 [1,0,0,1,0,0|2,0,0]=4 486 B7R1.6 CNCC1CCC1 Z1692482598 [1,0,0,1,0,0|2,0,0]=4 487 B7R1.6 COCC1CCN1 Z2213893372 [1,0,0,1,0,0|1,0,0]=3 488 B7R1.6 N#CCC1CCC1 Z1198184443 [1,0,0,1,0,0|0,0,2]=4 489 B7R1.6 NCCC1CCC1 Z1405445718 [1,0,0,1,0,0|0,0,0]=2 490 B7R1.6 NCCN1CCC1 Z1203582961 [1,0,0,1,0,0|1,0,0]=3 491 B7R1.6 O=CCC1CCC1 Z1198184444 [1,0,0,1,0,0|1,0,1]=4 492 B7R1.7 CCCCC1CO1 Z1020679810 [1,0,0,1,0,0|1,0,0]=3 493 B7R1.7 CCNCC1CC1 Z1692483163 [1,0,0,1,0,0|2,0,0]=4 494 B7R1.7 CCOCC1CO1 Z271128258 [1,0,0,1,0,0|2,0,0]=4 495 B7R1.7 CNCCC1CC1 Z1480642691 [1,0,0,1,0,0|2,0,0]=4 496 B7R1.7 COCCC1CO1 Z1495386141 [1,0,0,1,0,0|2,0,0]=4 497 B7R1.7 FCCNC1CC1 Z5629279666 [1,0,0,1,0,0|2,0,0]=4 498 B7R1.7 NCC#CC1CC1 Z3016946155 [1,0,0,1,0,0|0,0,2]=4 499 B7R1.7 NCCCC1CC1 Z2465611603 [1,0,0,1,0,0|0,0,0]=2 500 B7R1.7 NCCNC1CC1 Z756920128 [1,0,0,1,0,0|1,0,0]=3 501 B7R1.7 NCCOC1CC1 Z2786559006 [1,0,0,1,0,0|1,0,0]=3 502 B7R1.7 O=CCCC1CC1 Z1233208002 [1,0,0,1,0,0|1,0,1]=4 503 B7R1.7 OCCNC1CC1 Z285050134 [1,0,0,1,0,0|2,0,0]=4 504 B7R1.8 CN[C@@H]1CC[C@H]1O Z2678247023 [1,0,0,1,0,0|2,0,0]=4 505 B7R1.8 CO[C@@H]1CC[C@H]1N Z2311224799 [1,0,0,1,0,0|1,0,0]=3 506 B7R1.9 CCC1CC1C=O Z1513989944 [1,0,0,1,0,0|1,0,1]=4 507 B7R1.9 CC[C@@H]1C[C@H]1C=O Z3300760890 [1,0,0,1,0,0|1,0,1]=4 508 B7R1.9 CC[C@@H]1C[C@H]1CN Z2235810238 [1,0,0,1,0,0|0,0,0]=2 509 B7R1.24 C1=CCCNCC1 Z1255363448 [1,0,0,1,0,0|0,0,2]=4 510 B7R1.24 C1CCCNCC1 Z57127566 [1,0,0,1,0,0|0,0,0]=2 511 B7R1.24 C1CCNOCC1 Z1824482753 [1,0,0,1,0,0|1,0,0]=3 512 B7R1.24 C1CNCCOC1 Z359510198 [1,0,0,1,0,0|1,0,0]=3 513 B7R1.24 C1CNCCSC1 Z1954803255 [1,0,0,1,0,0|1,0,0]=3 514 B7R1.24 C1CSSCCN1 Z1203735354 [1,0,0,1,0,0|2,0,0]=4 515 B9R1.2 C=C[C@@H]1CCC[C@H](C1)N Z3071811850 [0,1,0,1,0,0|1,0,1]=4 516 B9R1.2 CC1CC(CCS1)CN Z3481572483 [0,1,0,1,0,0|2,0,0]=4 517 B9R1.2 CC1COCC(O1)CN Z4877532429 [0,1,0,1,0,0|2,0,0]=4 518 B9R1.2 CCC1CCCC(C1)N Z1210580079 [0,1,0,1,0,0|1,0,0]=3 519 B9R1.2 CCC1CCCC(C1)O Z1192057272 [0,1,0,1,0,0|2,0,0]=4 520 B9R1.2 CCN1CCCC(C1)N Z736883394 [0,1,0,1,0,0|2,0,0]=4 521 B9R1.2 CC[C@@H]1CNC[C@@H](N1)C Z2583036320 [0,1,0,1,0,0|2,0,0]=4 522 B9R1.2 CC[C@@H]1C[C@@H](CCO1)N Z2568676427 [0,1,0,1,0,0|2,0,0]=4 523 B9R1.2 CN1CCOC(C1)CN Z803081680 [0,1,0,1,0,0|2,0,0]=4 524 B9R1.2 COC1CCCC(C1)N Z1192179498 [0,1,0,1,0,0|2,0,0]=4 525 B9R1.2 CSC1CCCC(C1)N Z1219048788 [0,1,0,1,0,0|2,0,0]=4 526 B9R1.2 C[C@@H]1CCC[C@@H](N1)CN Z3617085231 [0,1,0,1,0,0|0,0,0]=2 527 B9R1.2 C[C@@H]1CCC[C@@H](N1)CO Z2738355370 [0,1,0,1,0,0|1,0,0]=3 528 B9R1.2 C[C@@H]1C[C@H](CCS1)CN Z3488455799 [0,1,0,1,0,0|2,0,0]=4 529 B9R1.2 NCC1CCCC(C1)F Z2429425744 [0,1,0,1,0,0|1,0,0]=3 530 B9R1.2 NC[C@@H]1C[C@@H](CCO1)O Z3200658572 [0,1,0,1,0,0|1,0,0]=3 531 B9R1.2 O=C1CCCC(N1)CO Z1198313433 [0,1,0,1,0,0|1,0,1]=4 532 B9R1.7 CC1CCC(C1)CCN Z3271769493 [0,1,0,1,0,0|1,0,0]=3 533 B9R1.7 CCCC1CCC(C1)N Z1233210255 [0,1,0,1,0,0|1,0,0]=3 534 B9R1.7 CCSC1CCC(C1)N Z1245790214 [0,1,0,1,0,0|2,0,0]=4 535 B9R1.7 CNC[C@@H]1C[C@H](CN1)O Z2242008674 [0,1,0,1,0,0|2,0,0]=4 536 B9R1.7 COC[C@@H]1C[C@@H](CN1)O Z2298137791 [0,1,0,1,0,0|2,0,0]=4 537 B9R1.7 N#CC[C@H]1CC[C@H](C1)N Z2327884306 [0,1,0,1,0,0|0,0,2]=4 538 B9R1.8 C#CCC1CCCCN1 Z3036653487 [0,1,0,1,0,0|1,0,0]=3 539 B9R1.8 C#CCC1CCCNC1 Z2379866313 [0,1,0,1,0,0|1,0,1]=4 540 B9R1.8 C#CCC1COCCN1 Z3826375267 [0,1,0,1,0,0|1,0,1]=4 541 B9R1.8 C=CCC1CCCCN1 Z3976272491 [0,1,0,1,0,0|1,0,0]=3 542 B9R1.8 CCCC1CCCCN1 Z1665033554 [0,1,0,1,0,0|1,0,0]=3 543 B9R1.8 CCCC1CCCNC1 Z1404660494 [0,1,0,1,0,0|1,0,0]=3 544 B9R1.8 CCCC1CCNCC1 Z963408928 [0,1,0,1,0,0|2,0,0]=4 545 B9R1.8 CCCC1CNCCN1 Z1203732978 [0,1,0,1,0,0|1,0,0]=3 546 B9R1.8 CCCC1CNCCO1 Z1203829779 [0,1,0,1,0,0|2,0,0]=4 547 B9R1.8 CCCC1COCCN1 Z4607148847 [0,1,0,1,0,0|1,0,0]=3 548 B9R1.8 CCNC1CCCCC1 Z235346963 [0,1,0,1,0,0|2,0,0]=4 549 B9R1.8 CCOC1CCCNC1 Z334959362 [0,1,0,1,0,0|2,0,0]=4 550 B9R1.8 CNCC1CCCCC1 Z102767074 [0,1,0,1,0,0|1,0,0]=3 551 B9R1.8 CNCC1CCNCC1 Z3302817319 [0,1,0,1,0,0|2,0,0]=4 552 B9R1.8 COCC1CCCCN1 Z2238934630 [0,1,0,1,0,0|1,0,0]=3 553 B9R1.8 COCC1CCCNC1 Z317037142 [0,1,0,1,0,0|2,0,0]=4 554 B9R1.8 ClCCN1CCCCC1 Z235354563 [0,1,0,1,0,0|2,0,0]=4 555 B9R1.8 N#CCC1CCCCC1 Z295382924 [0,1,0,1,0,0|1,0,1]=4 556 B9R1.8 N#CCC1CCCNC1 Z2507870625 [0,1,0,1,0,0|0,0,2]=4 557 B9R1.8 N#CCC1CNCCN1 Z3067411060 [0,1,0,1,0,0|0,0,2]=4 558 B9R1.8 NCCC1=CCOCC1 Z1511513665 [0,1,0,1,0,0|1,0,1]=4 559 B9R1.8 NCCC1CCCCC1 Z367451182 [0,1,0,1,0,0|1,0,0]=3 560 B9R1.8 NCCC1CCCCO1 Z432420620 [0,1,0,1,0,0|1,0,0]=3 561 B9R1.8 NCCC1CCNCC1 Z756921054 [0,1,0,1,0,0|1,0,0]=3 562 B9R1.8 NCCC1CCOCC1 Z851015130 [0,1,0,1,0,0|1,0,0]=3 563 B9R1.8 NCCC1CCSCC1 Z2768149804 [0,1,0,1,0,0|1,0,0]=3 564 B9R1.8 NCCN1CCNCC1 Z57127897 [0,1,0,1,0,0|2,0,0]=4 565 B9R1.8 NCCN1CCOCC1 Z104477830 [0,1,0,1,0,0|2,0,0]=4 566 B9R1.8 O=CCC1CCCCC1 Z993017728 [0,1,0,1,0,0|2,0,0]=4 567 B9R1.8 O=CCC1CCCCO1 Z1511748073 [0,1,0,1,0,0|2,0,0]=4 568 B9R1.8 OCCC1CCCCC1 Z397587116 [0,1,0,1,0,0|2,0,0]=4 569 B9R1.8 OCCC1CCCCO1 Z1198184633 [0,1,0,1,0,0|2,0,0]=4 570 B9R1.8 OCCC1CCCNC1 Z1263820461 [0,1,0,1,0,0|1,0,0]=3 571 B9R1.8 OCCC1CCCOC1 Z1198309922 [0,1,0,1,0,0|2,0,0]=4 572 B9R1.8 OCCC1CCNCC1 Z336087886 [0,1,0,1,0,0|2,0,0]=4 573 B9R1.8 OCCC1CCOCC1 Z1178491138 [0,1,0,1,0,0|2,0,0]=4 574 B9R1.8 OCCC1CSCCN1 Z1375026565 [0,1,0,1,0,0|1,0,0]=3 575 B9R1.8 OCCN1CCCCC1 Z104479032 [0,1,0,1,0,0|2,0,0]=4 576 B9R1.9 CC1CC(C1)CCCN Z5102110275 [0,1,0,1,0,0|1,0,0]=3 577 B9R1.9 CSCCC1CC(C1)N Z4800996772 [0,1,0,1,0,0|2,0,0]=4 578 B9R1.12 CCCCC1CCCN1 Z3244909133 [0,1,0,1,0,0|1,0,0]=3 579 B9R1.12 CCCNC1CCCC1 Z1076533152 [0,1,0,1,0,0|2,0,0]=4 580 B9R1.12 CCNCC1CCCO1 Z810541800 [0,1,0,1,0,0|2,0,0]=4 581 B9R1.12 CCOCC1CCNC1 Z976733020 [0,1,0,1,0,0|2,0,0]=4 582 B9R1.12 CNCCC1CCCO1 Z1801307836 [0,1,0,1,0,0|1,0,0]=3 583 B9R1.12 CNCCN1CCCC1 Z138105840 [0,1,0,1,0,0|2,0,0]=4 584 B9R1.12 COCCC1CCNC1 Z1201627339 [0,1,0,1,0,0|2,0,0]=4 585 B9R1.12 NCCCC1CCCC1 Z744843730 [0,1,0,1,0,0|1,0,0]=3 586 B9R1.12 NCCCC1CCOC1 Z1198224817 [0,1,0,1,0,0|1,0,0]=3 587 B9R1.12 NCCNC1CCCC1 Z4158574763 [0,1,0,1,0,0|1,0,0]=3 588 B9R1.12 NCCOC1CCCC1 Z594038064 [0,1,0,1,0,0|1,0,0]=3 589 B9R1.12 NCCSC1CCCC1 Z1263714075 [0,1,0,1,0,0|1,0,0]=3 590 B9R1.12 O=CCCC1CCCC1 Z993017672 [0,1,0,1,0,0|2,0,0]=4 591 B9R1.12 O=CCCC1CCCO1 Z993017666 [0,1,0,1,0,0|2,0,0]=4 592 B9R1.12 OCCCC1CCCN1 Z979444798 [0,1,0,1,0,0|1,0,0]=3 593 B9R1.12 OCCCC1CCCO1 Z993012576 [0,1,0,1,0,0|2,0,0]=4 594 B9R1.12 OCCNC1CCCC1 Z1162448840 [0,1,0,1,0,0|2,0,0]=4 595 B9R1.12 OCCOC1CCCC1 Z362785380 [0,1,0,1,0,0|2,0,0]=4 596 B9R1.15 C#CC1CCCCC1O Z1725997828 [0,1,0,1,0,0|2,0,0]=4 597 B9R1.15 CC1CCCCC1C#N Z415654838 [0,1,0,1,0,0|1,0,1]=4 598 B9R1.15 CC1CCCCC1C=O Z1268606365 [0,1,0,1,0,0|2,0,0]=4 599 B9R1.15 CC1CCCCC1CN Z415655074 [0,1,0,1,0,0|1,0,0]=3 600 B9R1.15 CC1COCCC1CN Z1255367314 [0,1,0,1,0,0|1,0,0]=3 601 B9R1.15 CCC1CCCCC1N Z368844574 [0,1,0,1,0,0|1,0,0]=3 602 B9R1.15 CCC1CCCCC1O Z104476198 [0,1,0,1,0,0|2,0,0]=4 603 B9R1.15 CN1CCCN=C1CN Z2830704597 [0,1,0,1,0,0|1,0,1]=4 604 B9R1.15 CN1CCNCC1CF Z2753009171 [0,1,0,1,0,0|2,0,0]=4 605 B9R1.15 CN1CCNCC1CN Z1255445303 [0,1,0,1,0,0|1,0,0]=3 606 B9R1.15 CN1CCNCC1CO Z2738358229 [0,1,0,1,0,0|2,0,0]=4 607 B9R1.15 CNC1CCCCC1C Z324553050 [0,1,0,1,0,0|1,0,0]=3 608 B9R1.15 CNC1CCOCC1C Z4641453836 [0,1,0,1,0,0|2,0,0]=4 609 B9R1.15 COC1CCCCC1N Z285187676 [0,1,0,1,0,0|1,0,0]=3 610 B9R1.15 COC1CCCCC1O Z425453594 [0,1,0,1,0,0|2,0,0]=4 611 B9R1.15 CO[C@@H]1CCCC[C@@H]1N Z4658510162 [0,1,0,1,0,0|1,0,0]=3 612 B9R1.15 CO[C@@H]1CCCC[C@H]1O Z3344357599 [0,1,0,1,0,0|2,0,0]=4 613 B9R1.15 CO[C@@H]1CCOC[C@H]1N Z2309916425 [0,1,0,1,0,0|2,0,0]=4 614 B9R1.15 CS[C@H]1CCCC[C@@H]1N Z2182116696 [0,1,0,1,0,0|1,0,0]=3 615 B9R1.15 C[C@@H]1CCCN[C@@H]1CO Z2737203189 [0,1,0,1,0,0|1,0,0]=3 616 B9R1.15 C[C@@H]1NCCC[C@@H]1CO Z5613103409 [0,1,0,1,0,0|2,0,0]=4 617 B9R1.15 NCC1CCCCC1O Z409444222 [0,1,0,1,0,0|1,0,0]=3 618 B9R1.15 NCC1CCCNC1=O Z2289798362 [0,1,0,1,0,0|1,0,1]=4 619 B9R1.15 NC[C@@H]1CCCC[C@@H]1O Z2306746656 [0,1,0,1,0,0|1,0,0]=3 620 B9R1.15 O=CC1CCCCC1F Z1813140630 [0,1,0,1,0,0|2,0,0]=4 621 B9R1.15 OCC1CCCCC1O Z1198163949 [0,1,0,1,0,0|2,0,0]=4 622 B9R1.33 C=CCC1CCCC1N Z993059006 [0,1,0,1,0,0|1,0,0]=3 623 B9R1.33 CCN[C@@H]1CCC[C@H]1O Z1796000613 [0,1,0,1,0,0|2,0,0]=4 624 B9R1.33 CCSC1CCCC1N Z1238713136 [0,1,0,1,0,0|1,0,0]=3 625 B9R1.33 CN1CCCC1CCN Z1255415415 [0,1,0,1,0,0|0,0,0]=2 626 B9R1.33 CN1CCCC1CCO Z607750234 [0,1,0,1,0,0|1,0,0]=3 627 B9R1.33 CNCC1CCCC1O Z1268477814 [0,1,0,1,0,0|1,0,0]=3 628 B9R1.33 CNCC1CCCN1C Z827158786 [0,1,0,1,0,0|2,0,0]=4 629 B9R1.33 NC1CCCC1CCO Z1509036975 [0,1,0,1,0,0|1,0,0]=3 630 B9R1.33 NCC[C@@H]1CCC[C@@H]1O Z4317048669 [0,1,0,1,0,0|1,0,0]=3 631 B9R1.33 NCC[C@@H]1CCC[C@H]1O Z3272980752 [0,1,0,1,0,0|1,0,0]=3 632 B9R1.33 O=C1CCCC1CCF Z1416228589 [0,1,0,1,0,0|2,0,0]=4 633 B9R1.49 CC1CCCC(NC1)C Z1203830904 [0,1,0,1,0,0|1,0,0]=3 634 B9R1.49 CC1CCS(=O)CCN1 Z1868316872 [0,1,0,1,0,0|2,0,0]=4 635 B9R1.49 CN1CCCC(CC1)N Z2310677587 [0,1,0,1,0,0|2,0,0]=4 636 B9R1.49 C[C@@H]1CCO[C@@H](CN1)C Z3025866678 [0,1,0,1,0,0|2,0,0]=4 637 B9R1.49 O=C1CCCC(CN1)O Z1255401193 [0,1,0,1,0,0|1,0,1]=4 638 B9R1.50 CC1CCCCCCN1 Z3487835965 [0,1,0,1,0,0|1,0,0]=3 639 B9R1.50 CN1CCCNCCC1 Z2310677612 [0,1,0,1,0,0|2,0,0]=4 640 B9R1.50 NC1CCCCCCC1 Z104478188 [0,1,0,1,0,0|1,0,0]=3 641 B9R1.50 O=C1CCCCCCC1 Z104474712 [0,1,0,1,0,0|2,0,0]=4 642 B9R1.50 O=C1CCCCNCC1 Z5186715583 [0,1,0,1,0,0|1,0,1]=4 643 B9R1.50 O=C1CCNCCCN1 Z1262578602 [0,1,0,1,0,0|1,0,1]=4 644 B9R1.50 OC1CCCCCCC1 Z104472780 [0,1,0,1,0,0|2,0,0]=4 645 B9R1.58 COC1CC(C1)CCN Z2488962449 [0,1,0,1,0,0|2,0,0]=4 646 B9R1.58 CO[C@H]1C[C@H](C1)CCN Z4457865940 [0,1,0,1,0,0|2,0,0]=4 647 B9R1.69 CC1CC(CCC1O)N Z1203641685 [0,1,0,1,0,0|2,0,0]=4 648 B9R1.69 CC1CCC(C(C1)C)N Z854046330 [0,1,0,1,0,0|1,0,0]=3 649 B9R1.69 CC1CCC(C(C1)C)O Z854051758 [0,1,0,1,0,0|2,0,0]=4 650 B9R1.69 CC1CCC(C(C1)O)C Z1201617039 [0,1,0,1,0,0|2,0,0]=4 651 B9R1.69 CC1CCC(CC1C)O Z1201617040 [0,1,0,1,0,0|2,0,0]=4 652 B9R1.69 CC1CN(CCC1N)C Z825754008 [0,1,0,1,0,0|2,0,0]=4 653 B9R1.69 NC1CC[C@H]([C@H](C1)O)O Z2936002015 [0,1,0,1,0,0|2,0,0]=4 654 B9R1.73 CCCC(N)C1CCC1 Z1198737987 [0,1,0,1,0,0|2,0,0]=4 655 B9R1.73 NC(CCO)C1CCC1 Z3287661201 [0,1,0,1,0,0|2,0,0]=4 656 B9R1.117 CC1(CCC1)OCCN Z1511513664 [0,1,0,1,0,0|2,0,0]=4 657 B9R1.134 COCC1(CCCN1)C Z4499747807 [0,1,0,1,0,0|2,0,0]=4 658 B9R1.134 NCCC1(CCCC1)O Z2517097572 [0,1,0,1,0,0|1,0,0]=3 659 B9R1.4 CNC[C@@H]1CC[C@H]1OC Z5183373543 [0,1,0,1,0,0|2,0,0]=4 660 B9R1.5 CC1CCCCNC1=O Z1198181151 [0,1,0,1,0,0|1,0,1]=4 661 B9R1.5 NC1CCCCCC1=O Z2213893401 [0,1,0,1,0,0|1,0,0]=3 662 B9R1.5 NC1CCCCNC1=O Z281895050 [0,1,0,1,0,0|1,0,1]=4 663 B9R1.5 N[C@@H]1CCCCC[C@H]1O Z1198180675 [0,1,0,1,0,0|1,0,0]=3 664 B9R1.5 N[C@H]1CCCCC[C@H]1N Z2895202592 [0,1,0,1,0,0|0,0,0]=2 665 B9R1.5 O=C1CCCCCC1Cl Z223607164 [0,1,0,1,0,0|2,0,0]=4 666 B9R1.5 O=C1NCCCCC1Br Z220343714 [0,1,0,1,0,0|1,0,1]=4 667 B9R1.5 O[C@H]1CCNCC[C@H]1O Z3681811836 [0,1,0,1,0,0|2,0,0]=4 668 B9R1.14 CNC1CCCC1SC Z1238736794 [0,1,0,1,0,0|2,0,0]=4 669 B9R1.14 NC[C@@H]1CCC[C@H]1CF Z5489491630 [0,1,0,1,0,0|1,0,0]=3 670 B9R1.16 CC1CC1CCCC=O Z3271342479 [0,1,0,1,0,0|2,0,0]=4 671 B9R1.17 NCCCCC1CCC1 Z5398432947 [0,1,0,1,0,0|1,0,0]=3 672 B9R1.17 NCCOCC1CCC1 Z1263592136 [0,1,0,1,0,0|1,0,0]=3 673 B9R1.17 OCCCNC1CCC1 Z859816160 [0,1,0,1,0,0|2,0,0]=4 674 B9R1.17 OCCOCC1CCC1 Z2256067074 [0,1,0,1,0,0|2,0,0]=4 675 B9R1.83 C=CCCCCC1CO1 Z1255356056 [0,1,0,1,0,0|2,0,0]=4 676 B9R1.83 CCCCCCC1CO1 Z1020680070 [0,1,0,1,0,0|2,0,0]=4 677 B9R1.83 CCCCOCC1CO1 Z409191626 [0,1,0,1,0,0|2,0,0]=4 678 B9R1.83 CNCCOCC1CC1 Z839536900 [0,1,0,1,0,0|2,0,0]=4 679 B9R1.83 NCCOCCC1CC1 Z3629170058 [0,1,0,1,0,0|1,0,0]=3 680 B9R1.83 O=CCCCCC1CC1 Z3002702510 [0,1,0,1,0,0|2,0,0]=4 681 B9R1.83 OCCCCNC1CC1 Z839096664 [0,1,0,1,0,0|2,0,0]=4 682 B9R1.83 OCCCOCC1CO1 Z4201876111 [0,1,0,1,0,0|2,0,0]=4 683 B9R1.89 C#CC1CCCCNC1 Z2768767729 [0,1,0,1,0,0|1,0,1]=4 684 B9R1.89 CCC1CCCCCN1 Z992736884 [0,1,0,1,0,0|1,0,0]=3 685 B9R1.89 CCC1CCCNCC1 Z425362302 [0,1,0,1,0,0|2,0,0]=4 686 B9R1.89 CCC1CCNCCO1 Z3275232542 [0,1,0,1,0,0|2,0,0]=4 687 B9R1.89 CCC1CCOCCN1 Z3275231194 [0,1,0,1,0,0|1,0,0]=3 688 B9R1.89 CNC1CCCCCC1 Z102766800 [0,1,0,1,0,0|1,0,0]=3 689 B9R1.89 CNC1CCCNCC1 Z1171155633 [0,1,0,1,0,0|2,0,0]=4 690 B9R1.89 CNC1CCCOCC1 Z5794487564 [0,1,0,1,0,0|2,0,0]=4 691 B9R1.89 CSC1CCCCNC1 Z1462950888 [0,1,0,1,0,0|2,0,0]=4 692 B9R1.89 FCC1CNCCCO1 Z2295370275 [0,1,0,1,0,0|2,0,0]=4 693 B9R1.89 NCC1C=CCCCC1 Z3443270742 [0,1,0,1,0,0|1,0,0]=3 694 B9R1.89 NCC1CCC=CCC1 Z2895896095 [0,1,0,1,0,0|1,0,1]=4 695 B9R1.89 NCC1CCCCCC1 Z415655096 [0,1,0,1,0,0|1,0,0]=3 696 B9R1.89 NCC1CCCOCC1 Z4438964521 [0,1,0,1,0,0|1,0,0]=3 697 B9R1.89 NCC1CCCSCC1 Z3037487975 [0,1,0,1,0,0|1,0,0]=3 698 B9R1.89 NCC1COCCOC1 Z2310678775 [0,1,0,1,0,0|2,0,0]=4 699 B9R1.89 O/N=C\1/CCCCCN1 Z56928892 [0,1,0,1,0,0|0,0,2]=4 700 B9R1.89 O=CC1CCCCCC1 Z1079442748 [0,1,0,1,0,0|2,0,0]=4 701 B9R1.89 OCC1CCCCCC1 Z992928672 [0,1,0,1,0,0|2,0,0]=4 702 B9R1.89 OCC1CCCCNC1 Z1318147457 [0,1,0,1,0,0|1,0,0]=3 703 B9R1.103 C1CCCCNCCC1 Z1203730912 [0,1,0,1,0,0|1,0,0]=3 704 B9R1.103 C1COCCOCCN1 Z3477416729 [0,1,0,1,0,0|2,0,0]=4 705 B9R1.1 C=C1CCC(CC1)CN Z2889982961 [0,1,0,1,0,0|1,0,1]=4 706 B9R1.1 CC1CCC(CC1)NN Z927192058 [0,1,0,1,0,0|2,0,0]=4 707 B9R1.1 CC1CCC(NC1)CN Z3492445324 [0,1,0,1,0,0|0,0,0]=2 708 B9R1.1 CC1COC(CO1)CN Z4984374432 [0,1,0,1,0,0|2,0,0]=4 709 B9R1.1 CCC1COC(CN1)C Z56968897 [0,1,0,1,0,0|2,0,0]=4 710 B9R1.1 CC[C@H]1CC[C@@H](CC1)N Z2205958759 [0,1,0,1,0,0|2,0,0]=4 711 B9R1.1 C[C@@H]1CC[C@H](OC1)CN Z3770977955 [0,1,0,1,0,0|1,0,0]=3 712 B9R1.1 C[C@@H]1CO[C@H](CO1)CN Z4918953814 [0,1,0,1,0,0|2,0,0]=4 713 B9R1.1 N[C@H]1CC[C@@H](CC1)CF Z3035094917 [0,1,0,1,0,0|2,0,0]=4 714 B9R1.1 N[C@H]1CC[C@@H](CC1)CO Z1203582309 [0,1,0,1,0,0|2,0,0]=4 715 B9R1.1 N[C@H]1CC[C@H](CC1)CO Z1203579954 [0,1,0,1,0,0|2,0,0]=4 716 B9R1.1 OCC1CCC(CC1)O Z1255451065 [0,1,0,1,0,0|2,0,0]=4 717 B9R1.3 CC1CCCC(C1C)N Z104478930 [0,1,0,1,0,0|1,0,0]=3 718 B9R1.3 CC1CCCC(C1N)C Z359419654 [0,1,0,1,0,0|1,0,0]=3 719 B9R1.3 CC1CCCC(C1N)O Z1509035391 [0,1,0,1,0,0|1,0,0]=3 720 B9R1.3 CC1CCCC(C1O)C Z335244846 [0,1,0,1,0,0|2,0,0]=4 721 B9R1.3 N[C@@H]1CCC[C@H]([C@H]1O)O Z4497061557 [0,1,0,1,0,0|1,0,0]=3 722 B9R1.11 CC(CN)N1CCCC1 Z228571104 [0,1,0,1,0,0|2,0,0]=4 723 B9R1.11 CCC(C)C1CCCN1 Z3752630998 [0,1,0,1,0,0|1,0,0]=3 724 B9R1.11 CCC(N)C1CCCC1 Z513797602 [0,1,0,1,0,0|2,0,0]=4 725 B9R1.11 CCC(N)C1CCCO1 Z1259145227 [0,1,0,1,0,0|2,0,0]=4 726 B9R1.11 C[C@@H](CN)N1CCCC1 Z4663210446 [0,1,0,1,0,0|2,0,0]=4 727 B9R1.11 NCC(O)C1CCOC1 Z2418537435 [0,1,0,1,0,0|2,0,0]=4 728 B9R1.21 CCN1CCC(C1)CN Z234895457 [0,1,0,1,0,0|2,0,0]=4 729 B9R1.21 NC[C@H]1CC[C@H](C1)CN Z1203591890 [0,1,0,1,0,0|0,0,0]=2 730 B9R1.21 OC[C@@H]1CC[C@H](N1)CO Z2309988693 [0,1,0,1,0,0|2,0,0]=4 731 B9R1.79 NC(CO)CC1CCC1 Z1263593952 [0,1,0,1,0,0|2,0,0]=4 732 B9R1.79 NCC(O)CC1CCC1 Z5787667532 [0,1,0,1,0,0|1,0,0]=3 733 B9R1.118 CC1(C=CCCC1)CN Z3020211238 [0,1,0,1,0,0|1,0,1]=4 734 B9R1.118 CC1(CCCCC1)CN Z1413780464 [0,1,0,1,0,0|1,0,0]=3 735 B9R1.118 CC1(CCCCC1)CO Z1201620047 [0,1,0,1,0,0|2,0,0]=4 736 B9R1.118 CC1(CCCCN1)CO Z1255397122 [0,1,0,1,0,0|1,0,0]=3 737 B9R1.118 CCC1(CCCCC1)N Z2235790648 [0,1,0,1,0,0|2,0,0]=4 738 B9R1.118 CCC1(CCCCC1)O Z449370576 [0,1,0,1,0,0|2,0,0]=4 739 B9R1.118 CCC1(COCCN1)C Z1235974651 [0,1,0,1,0,0|2,0,0]=4 740 B9R1.118 NC1(CCCCC1)CO Z2417556977 [0,1,0,1,0,0|2,0,0]=4 741 B9R1.118 NCC1(CCCCC1)Br Z1982417702 [0,1,0,1,0,0|1,0,0]=3 742 B9R1.118 NCC1(CCCCC1)N Z235344715 [0,1,0,1,0,0|1,0,0]=3 743 B9R1.118 NCC1(CCCCC1)O Z363991148 [0,1,0,1,0,0|1,0,0]=3 744 B9R1.118 NCC1(CCCSC1)O Z4951242636 [0,1,0,1,0,0|2,0,0]=4 745 B9R1.118 NCC1(CCNCC1)O Z778383858 [0,1,0,1,0,0|2,0,0]=4 746 B9R1.118 NCC1(CCOCC1)F Z1216819322 [0,1,0,1,0,0|2,0,0]=4 747 B9R1.118 NCC1(CCOCC1)N Z440604832 [0,1,0,1,0,0|2,0,0]=4 748 B9R1.118 NCC1(CCSCC1)O Z803080496 [0,1,0,1,0,0|2,0,0]=4 749 B9R1.202 CC1(CCCC1N)CO Z1255430902 [0,1,0,1,0,0|1,0,0]=3 750 B9R1.6 CC(=O)C1CCCCN1 Z1954800414 [0,1,0,1,0,0|1,0,1]=4 751 B9R1.6 CC(=O)[C@@H]1CCCCN1 Z1618016835 [0,1,0,1,0,0|1,0,1]=4 752 B9R1.6 CC(=O)[C@H]1CCCCN1 Z2234185612 [0,1,0,1,0,0|1,0,1]=4 753 B9R1.6 CC(C)C1CCCCN1 Z1269638432 [0,1,0,1,0,0|1,0,0]=3 754 B9R1.6 CC(C)C1CNCCN1 Z1198172518 [0,1,0,1,0,0|2,0,0]=4 755 B9R1.6 CC(C)[C@@H]1COCCN1 Z3185478350 [0,1,0,1,0,0|2,0,0]=4 756 B9R1.6 CC(N)C1CCCCC1 Z446020926 [0,1,0,1,0,0|1,0,0]=3 757 B9R1.6 CC(N)C1CCOCC1 Z1178490395 [0,1,0,1,0,0|2,0,0]=4 758 B9R1.6 CC(N)C1COCCO1 Z3482741168 [0,1,0,1,0,0|2,0,0]=4 759 B9R1.6 CC(O)C1CCCCC1 Z445987098 [0,1,0,1,0,0|2,0,0]=4 760 B9R1.6 CC(O)C1CCCCN1 Z995042172 [0,1,0,1,0,0|1,0,0]=3 761 B9R1.6 C[C@@H](O)C1CCCCC1 Z959151676 [0,1,0,1,0,0|2,0,0]=4 762 B9R1.6 FC(F)C1CCCCN1 Z1222423573 [0,1,0,1,0,0|1,0,0]=3 763 B9R1.6 N=C(N)C1CCCCC1 Z317027412 [0,1,0,1,0,0|1,0,1]=4 764 B9R1.6 N=C(N)C1CCCCN1 Z1269145449 [0,1,0,1,0,0|0,0,1]=3 765 B9R1.6 NC(=O)C1CCCCC1 Z33546516 [0,1,0,1,0,0|1,0,1]=4 766 B9R1.6 NC(=O)C1CCCCN1 Z90122010 [0,1,0,1,0,0|0,0,1]=3 767 B9R1.6 NC(=O)C1CNCCN1 Z203041340 [0,1,0,1,0,0|1,0,1]=4 768 B9R1.6 NC(=O)C1CSCCN1 Z1198160722 [0,1,0,1,0,0|1,0,1]=4 769 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [0,1,0,1,0,0|1,0,1]=4 770 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [0,1,0,1,0,0|1,0,1]=4 771 B9R1.13 CC(C)CC1CCCN1 Z2301511576 [0,1,0,1,0,0|1,0,0]=3 772 B9R1.13 CC(N)CC1CCCO1 Z513796812 [0,1,0,1,0,0|1,0,0]=3 773 B9R1.13 CC(O)CC1CCCN1 Z1203731942 [0,1,0,1,0,0|1,0,0]=3 774 B9R1.13 N=C(N)CC1CCCC1 Z2092177104 [0,1,0,1,0,0|1,0,1]=4 775 B9R1.13 NC(=O)CC1CCCC1 Z33546662 [0,1,0,1,0,0|1,0,1]=4 776 B9R1.13 NC(=O)CC1CCCN1 Z1459435572 [0,1,0,1,0,0|0,0,1]=3 777 B9R1.13 O=C(O)CC1CCCN1 Z1480642793 [0,1,0,1,0,0|1,0,1]=4 778 B9R1.24 CC1(CCCC1CN)C Z1203586019 [0,1,0,1,0,0|1,0,0]=3 779 B9R1.24 CC1(COCC1CN)C Z4913143803 [0,1,0,1,0,0|2,0,0]=4 780 B9R1.24 CC1(OCCC1CN)C Z2575036803 [0,1,0,1,0,0|2,0,0]=4 781 B9R1.24 CC1(SCCC1CN)C Z3070893276 [0,1,0,1,0,0|2,0,0]=4 782 B9R1.24 NCC1CCCC1(F)F Z2235681446 [0,1,0,1,0,0|1,0,0]=3 783 B9R1.24 NCC1CCCS1(=O)=O Z1203586543 [0,1,0,1,0,0|2,0,0]=4 784 B9R1.40 CC1(CCCCC1N)C Z1203579141 [0,1,0,1,0,0|1,0,0]=3 785 B9R1.40 CC1(CCCCC1O)C Z1350656299 [0,1,0,1,0,0|2,0,0]=4 786 B9R1.40 CC1CCCCC1(C)O Z449370784 [0,1,0,1,0,0|2,0,0]=4 787 B9R1.40 NC1CCCCC1(F)F Z1415893909 [0,1,0,1,0,0|1,0,0]=3 788 B9R1.40 NC1COCCC1(F)F Z3244401912 [0,1,0,1,0,0|2,0,0]=4 789 B9R1.41 CC(C)C1CCCC1N Z3278384105 [0,1,0,1,0,0|1,0,0]=3 790 B9R1.41 CN(C)C1CCCC1N Z271010464 [0,1,0,1,0,0|2,0,0]=4 791 B9R1.41 CN(C)[C@@H]1CCC[C@H]1N Z3033962105 [0,1,0,1,0,0|2,0,0]=4 792 B9R1.41 CN(C)[C@H]1CCC[C@@H]1N Z1753033013 [0,1,0,1,0,0|2,0,0]=4 793 B9R1.41 NC(=O)C1CCCC1N Z1203642185 [0,1,0,1,0,0|0,0,1]=3 794 B9R1.41 NC(=O)[C@H]1CCC[C@H]1N Z2311233523 [0,1,0,1,0,0|0,0,1]=3 795 B9R1.41 NC(=O)[C@H]1OCC[C@H]1N Z3719404582 [0,1,0,1,0,0|1,0,1]=4 796 B9R1.41 NC1CCCC1C(=O)O Z1250132738 [0,1,0,1,0,0|1,0,1]=4 797 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Z2568674579 [0,1,0,1,0,0|1,0,1]=4 798 B9R1.41 N[C@@H]1COC[C@H]1C(F)F Z5410132307 [0,1,0,1,0,0|2,0,0]=4 799 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Z2327569946 [0,1,0,1,0,0|1,0,1]=4 800 B9R1.67 NC1CCC1CC(=O)O Z4080002320 [0,1,0,1,0,0|1,0,1]=4 801 B9R1.77 NCCCC1CC1(Cl)Cl Z2465610714 [0,1,0,1,0,0|1,0,0]=3 802 B9R1.77 NCCCC1CC1(F)F Z2831442847 [0,1,0,1,0,0|1,0,0]=3 803 B9R1.86 NC[C@@H]1C[C@@H]1CC(=O)O Z4913154380 [0,1,0,1,0,0|1,0,1]=4 804 B9R1.96 NC[C@@H]1CC[C@@H]1C(=O)O Z4659668967 [0,1,0,1,0,0|1,0,1]=4 805 B9R1.148 CC1(CCCCCC1)N Z1210869367 [0,1,0,1,0,0|1,0,0]=3 806 B9R1.148 CC1(CCCCCC1)O Z449370874 [0,1,0,1,0,0|2,0,0]=4 807 B9R2.24 O[C@@H]1[C@@H]2CO[C@H]1CN2 Z3379722157 [0,0,0,2,0,0|2,0,0]=4 808 B9R2.49 C1CC2CCC1NN2 Z2301499854 [0,0,0,2,0,0|2,0,0]=4 809 B9R2.49 C1CC2CCC1NO2 Z2712744350 [0,0,0,2,0,0|2,0,0]=4 810 B9R2.49 C1CC2CNC1CN2 Z2301438463 [0,0,0,2,0,0|0,0,0]=2 811 B9R2.50 C1CC[C@H]2NC[C@H]2C1 Z2309997705 [0,0,0,2,0,0|1,0,0]=3 812 B9R2.50 C1CN[C@H]2CC[C@@H]2N1 Z4996473367 [0,0,0,2,0,0|2,0,0]=4 813 B9R2.50 C1CN[C@H]2CC[C@H]2C1 Z3072437860 [0,0,0,2,0,0|1,0,0]=3 814 B9R2.56 NC[C@@]12CCC[C@@H]1C2 Z2896171841 [0,0,0,2,0,0|1,0,0]=3 815 B9R2.65 NCC1C2C1CCC2 Z3676755604 [0,0,0,2,0,0|1,0,0]=3 816 B9R2.68 C1CC2CC(N1)CO2 Z3181698309 [0,0,0,2,0,0|1,0,0]=3 817 B9R2.68 C1CC2CCC(C2)N1 Z3719007183 [0,0,0,2,0,0|1,0,0]=3 818 B9R2.68 C1CC2CNCC1N2 Z1741980016 [0,0,0,2,0,0|2,0,0]=4 819 B9R2.68 C1CC2COCC1N2 Z1203732330 [0,0,0,2,0,0|2,0,0]=4 820 B9R2.68 C1CC2CSCC1N2 Z3013893876 [0,0,0,2,0,0|2,0,0]=4 821 B9R2.68 C1CN2CCC(C2)N1 Z2234631228 [0,0,0,2,0,0|2,0,0]=4 822 B9R2.68 C1NC2COCC1C2 Z4789051337 [0,0,0,2,0,0|2,0,0]=4 823 B9R2.68 C1NC2CSCC1C2 Z5013438049 [0,0,0,2,0,0|2,0,0]=4 824 B9R2.68 C1NCC2CC1CN2 Z3491361794 [0,0,0,2,0,0|2,0,0]=4 825 B9R2.123 NC1C2C1CCCC2 Z1335657662 [0,0,0,2,0,0|1,0,0]=3 826 B9R2.123 NC1C2C1COCC2 Z3053117649 [0,0,0,2,0,0|2,0,0]=4 827 B9R2.174 C1CCC2(CC1)CO2 Z359231458 [0,0,0,2,0,0|2,0,0]=4 828 B9R2.174 C1CCC2(CC2)NC1 Z3014016765 [0,0,0,2,0,0|1,0,0]=3 829 B9R2.174 C1COCC2(N1)CC2 Z2143576660 [0,0,0,2,0,0|2,0,0]=4 830 B9R2.174 C1CSCC2(N1)CC2 Z5006030900 [0,0,0,2,0,0|2,0,0]=4 831 B9R2.6 CC12CCCCC1O2 Z1255380027 [0,0,0,2,0,0|2,0,0]=4 832 B9R2.6 NC12CCCCC1C2 Z2694811356 [0,0,0,2,0,0|1,0,0]=3 833 B9R2.6 N[C@@]12CCOC[C@@H]1C2 Z4379876205 [0,0,0,2,0,0|2,0,0]=4 834 B9R2.39 CN1C[C@@H]2C[C@H]1CN2 Z3235903377 [0,0,0,2,0,0|2,0,0]=4 835 B9R2.39 NC1CC2C=CC1C2 Z3024172904 [0,0,0,2,0,0|1,0,1]=4 836 B9R2.39 NC1CC2CCC1C2 Z1250132652 [0,0,0,2,0,0|1,0,0]=3 837 B9R2.39 NC1CC2CCC1O2 Z1203586766 [0,0,0,2,0,0|1,0,0]=3 838 B9R2.39 NC1CN2CCC1C2 Z3490555917 [0,0,0,2,0,0|2,0,0]=4 839 B9R2.39 N[C@@H]1C[C@H]2CC[C@@H]1O2 Z2442099637 [0,0,0,2,0,0|1,0,0]=3 840 B9R2.39 N[C@H]1CC2CCC1O2 Z1270498447 [0,0,0,2,0,0|1,0,0]=3 841 B9R2.39 OC1CC2CCC1C2 Z104479470 [0,0,0,2,0,0|2,0,0]=4 842 B9R2.39 OC1CC2CCC1O2 Z1255395449 [0,0,0,2,0,0|2,0,0]=4 843 B9R2.1 NC1CC12CCCC2 Z1863617847 [0,0,0,2,0,0|1,0,0]=3 844 B9R2.2 C1CCC(C1)C2CO2 Z1020679780 [0,0,0,2,0,0|2,0,0]=4 845 B9R2.2 C1CNC(C1)C2CC2 Z1268152305 [0,0,0,2,0,0|1,0,0]=3 846 B9R2.2 C1COC(C1)C2CO2 Z1504674596 [0,0,0,2,0,0|2,0,0]=4 847 B9R2.3 C1CC2CCNC2C1 Z1201627727 [0,0,0,2,0,0|1,0,0]=3 848 B9R2.3 C1CC2CNCC2C1 Z1741974542 [0,0,0,2,0,0|1,0,0]=3 849 B9R2.3 C1C[C@@H]2CNC[C@@H]2O1 Z2235790854 [0,0,0,2,0,0|2,0,0]=4 850 B9R2.3 C1NC[C@H]2[C@@H]1COC2 Z2143573972 [0,0,0,2,0,0|2,0,0]=4 851 B9R2.7 NC1CC2C1CCC2 Z2866593007 [0,0,0,2,0,0|1,0,0]=3 852 B9R2.7 N[C@@H]1C[C@H]2[C@@H]1COC2 Z2953725599 [0,0,0,2,0,0|2,0,0]=4 853 B9R2.7 O=C1NC2C1CCC2 Z1250169685 [0,0,0,2,0,0|1,0,1]=4 854 B9R2.7 O=C1N[C@H]2[C@@H]1CCC2 Z2307158154 [0,0,0,2,0,0|1,0,1]=4 855 B9R2.7 O[C@@H]1C[C@@H]2[C@H]1CCN2 Z4343629833 [0,0,0,2,0,0|1,0,0]=3 856 B9R2.7 O[C@@H]1C[C@H]2[C@@H]1CCN2 Z5042714030 [0,0,0,2,0,0|1,0,0]=3 857 B9R2.173 C1CNC2(C1)CCC2 Z1881598353 [0,0,0,2,0,0|1,0,0]=3 858 B9R2.21 O=C1CC2CC2CN1 Z2941655402 [0,0,0,2,0,0|1,0,1]=4 859 B9R2.52 C1CCC2CC2NC1 Z4496337315 [0,0,0,2,0,0|1,0,0]=3 860 B9R2.52 C1CCC2OC2CC1 Z278165186 [0,0,0,2,0,0|2,0,0]=4 861 B9R2.20 O=C1NC[C@H]2[C@@H]1CC2 Z3445405198 [0,0,0,2,0,0|1,0,1]=4 862 B9R2.51 C1CCC2CC(C1)N2 Z5134646662 [0,0,0,2,0,0|1,0,0]=3 863 B9R2.140 NC1CCC12CCC2 Z3301588621 [0,0,0,2,0,0|1,0,0]=3 864 B9R2.5 F[C@@H]1CCC[C@@]12CO2 Z3006439959 [0,0,0,2,0,0|2,0,0]=4 865 B9R2.5 NC1CCCC12CC2 Z2690412247 [0,0,0,2,0,0|1,0,0]=3 866 B9R2.14 C[C@]12CC[C@H]1CCN2 Z3409517740 [0,0,0,2,0,0|1,0,0]=3 867 B9R2.14 N[C@]12CC[C@H]1CNC2 Z4989061547 [0,0,0,2,0,0|2,0,0]=4 868 B9R2.33 N[C@H]1C[C@@H]2CC[C@@H]2C1 Z4368396323 [0,0,0,2,0,0|1,0,0]=3 869 B9R2.36 NC1CCC1C2CC2 Z1966566405 [0,0,0,2,0,0|1,0,0]=3 870 B9R2.79 NC[C@@H]1C[C@H]1C2CC2 Z2240803949 [0,0,0,2,0,0|1,0,0]=3 871 B9R2.69 C1CC1CCC2CO2 Z2238725689 [0,0,0,2,0,0|2,0,0]=4