0 B7R1.3 C=C1CCNCC1 Z1124146875 [0,0,0,0,0,0|2,0,1]=3 1 B7R1.3 CC1=CCCNC1 Z2143573194 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.3 CC1CNCCN1 Z104480242 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.3 CC1CNCCO1 Z204013884 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.3 CC1CNCCS1 Z334686272 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.3 CC1COCCN1 Z336087928 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.3 CC1CSCCN1 Z334686282 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.3 CN1CCNCC1 Z57834041 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.3 C[C@H]1CCCNC1 Z1895741201 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.3 C[C@H]1CNCCN1 Z1187834254 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.3 FC1=CCCNC1 Z1570657372 [0,0,0,0,0,0|2,0,2]=4 11 B7R1.3 FC1CCNCC1 Z1741960061 [0,0,0,0,0,0|2,0,0]=2 12 B7R1.3 NC1=NCCCC1 Z1723418848 [0,0,0,0,0,0|2,0,1]=3 13 B7R1.3 NC1=NCCCN1 Z1259041088 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.3 NC1=NCCCS1 Z2211231389 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.3 NC1C=CCCC1 Z1203579654 [0,0,0,0,0,0|1,0,2]=3 16 B7R1.3 NC1CCCCC1 Z1945707495 [0,0,0,0,0,0|1,0,0]=1 17 B7R1.3 NC1CCCOC1 Z1013492300 [0,0,0,0,0,0|2,0,0]=2 18 B7R1.3 NC1CCCSC1 Z1029463244 [0,0,0,0,0,0|2,0,0]=2 19 B7R1.3 NC1CCOCC1 Z600428352 [0,0,0,0,0,0|2,0,0]=2 20 B7R1.3 NC1CCSCC1 Z992716928 [0,0,0,0,0,0|2,0,0]=2 21 B7R1.3 O=C1C=CCCC1 Z295197140 [0,0,0,0,0,0|0,0,4]=4 22 B7R1.3 O=C1CCCCC1 Z104474256 [0,0,0,0,0,0|0,0,2]=2 23 B7R1.3 O=C1CCCCN1 Z168817684 [0,0,0,0,0,0|1,0,2]=3 24 B7R1.3 O=C1CCCCO1 Z432085120 [0,0,0,0,0,0|1,0,2]=3 25 B7R1.3 O=C1CCCCS1 Z1726147018 [0,0,0,0,0,0|1,0,2]=3 26 B7R1.3 O=C1CCCNC1 Z3063726909 [0,0,0,0,0,0|1,0,2]=3 27 B7R1.3 O=C1CCCNN1 Z1416174508 [0,0,0,0,0,0|2,0,2]=4 28 B7R1.3 O=C1CCCSC1 Z979714552 [0,0,0,0,0,0|1,0,2]=3 29 B7R1.3 O=C1CCNCC1 Z1741959513 [0,0,0,0,0,0|1,0,2]=3 30 B7R1.3 O=C1CNCCN1 Z56968535 [0,0,0,0,0,0|2,0,2]=4 31 B7R1.3 O=C1CSCCN1 Z337709368 [0,0,0,0,0,0|2,0,2]=4 32 B7R1.3 O=C1CSCSC1 Z1251333166 [0,0,0,0,0,0|2,0,2]=4 33 B7R1.3 O=C1NCCCN1 Z1203730774 [0,0,0,0,0,0|2,0,2]=4 34 B7R1.3 O=C1NCCCO1 Z1198312172 [0,0,0,0,0,0|2,0,2]=4 35 B7R1.3 O=S1CCNCC1 Z1263714072 [0,0,0,0,0,0|2,0,1]=3 36 B7R1.3 OC1CCCCC1 Z104473498 [0,0,0,0,0,0|0,0,0]=0 37 B7R1.3 OC1CCCSC1 Z993818972 [0,0,0,0,0,0|1,0,0]=1 38 B7R1.3 OC1CCNCC1 Z56347197 [0,0,0,0,0,0|1,0,0]=1 39 B7R1.3 OC1CCOCC1 Z1359429523 [0,0,0,0,0,0|1,0,0]=1 40 B7R1.3 OC1CCONC1 Z3325124334 [0,0,0,0,0,0|2,0,0]=2 41 B7R1.3 OC1CNCCO1 Z1428160315 [0,0,0,0,0,0|2,0,0]=2 42 B7R1.3 OC1COCOC1 Z431564488 [0,0,0,0,0,0|2,0,0]=2 43 B6R1.1 C1=CCCCC1 Z104474726 [1,0,0,0,0,0|0,0,2]=3 44 B6R1.1 C1=CCNCC1 Z1623864216 [1,0,0,0,0,0|1,0,2]=4 45 B6R1.1 C1=NCCCN1 Z1198163087 [1,0,0,0,0,0|2,0,1]=4 46 B6R1.1 C1CCONC1 Z1787355355 [1,0,0,0,0,0|2,0,0]=3 47 B6R1.1 C1CNCCN1 Z1245537944 [1,0,0,0,0,0|2,0,0]=3 48 B6R1.1 C1COCCN1 Z57127568 [1,0,0,0,0,0|2,0,0]=3 49 B6R1.1 C1CSCCN1 Z352252014 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.2 BrC=C1CCNCC1 Z4355559318 [0,1,0,0,0,0|2,0,1]=4 51 B8R1.2 BrCC1CCCCO1 Z104484248 [0,1,0,0,0,0|2,0,0]=3 52 B8R1.2 C#CC1CCCCC1 Z1255457380 [0,1,0,0,0,0|1,0,0]=2 53 B8R1.2 C#CC1CCCCN1 Z2940715353 [0,1,0,0,0,0|2,0,0]=3 54 B8R1.2 C#CC1CCCNC1 Z1741980183 [0,1,0,0,0,0|2,0,0]=3 55 B8R1.2 C#CC1CCNCC1 Z2418193722 [0,1,0,0,0,0|2,0,0]=3 56 B8R1.2 C#CC1COCCN1 Z2235775085 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.2 C=CC1CCCCN1 Z2142036752 [0,1,0,0,0,0|2,0,0]=3 58 B8R1.2 C=CC1CCCNC1 Z2740400893 [0,1,0,0,0,0|2,0,0]=3 59 B8R1.2 C=CC1CCNCC1 Z1266933822 [0,1,0,0,0,0|2,0,0]=3 60 B8R1.2 CCC1CCCCN1 Z839028612 [0,1,0,0,0,0|2,0,0]=3 61 B8R1.2 CCC1CCCNC1 Z381019246 [0,1,0,0,0,0|2,0,0]=3 62 B8R1.2 CCC1CCNCC1 Z1198394219 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.2 CCC1CNCCN1 Z3234914816 [0,1,0,0,0,0|3,0,0]=4 64 B8R1.2 CCC1CNCCO1 Z283724556 [0,1,0,0,0,0|3,0,0]=4 65 B8R1.2 CCC1CNCCS1 Z1203735378 [0,1,0,0,0,0|3,0,0]=4 66 B8R1.2 CCC1COCCN1 Z405749950 [0,1,0,0,0,0|3,0,0]=4 67 B8R1.2 CCN1CCNCC1 Z104472630 [0,1,0,0,0,0|3,0,0]=4 68 B8R1.2 CNC1=NCCCC1 Z1744713171 [0,1,0,0,0,0|2,0,1]=4 69 B8R1.2 CNC1CCCSC1 Z1873867368 [0,1,0,0,0,0|2,0,0]=3 70 B8R1.2 CNC1CCNCC1 Z1511513954 [0,1,0,0,0,0|2,0,0]=3 71 B8R1.2 CNC1CCOCC1 Z440603550 [0,1,0,0,0,0|2,0,0]=3 72 B8R1.2 CNC1CCSCC1 Z3234882084 [0,1,0,0,0,0|2,0,0]=3 73 B8R1.2 COC1=NCCCC1 Z729471270 [0,1,0,0,0,0|1,0,1]=3 74 B8R1.2 COC1C=CCNC1 Z3615520660 [0,1,0,0,0,0|1,0,2]=4 75 B8R1.2 COC1CCC=CO1 Z995169098 [0,1,0,0,0,0|1,0,2]=4 76 B8R1.2 COC1CCNCC1 Z169511496 [0,1,0,0,0,0|1,0,0]=2 77 B8R1.2 COC1CNCCO1 Z1203748232 [0,1,0,0,0,0|2,0,0]=3 78 B8R1.2 CSC1CCNCC1 Z1201627011 [0,1,0,0,0,0|1,1,0]=3 79 B8R1.2 ClCC1CCOCO1 Z56932992 [0,1,0,0,0,0|3,0,0]=4 80 B8R1.2 ClCC1CNCCO1 Z1198749808 [0,1,0,0,0,0|3,0,0]=4 81 B8R1.2 FCC1CCCNC1 Z2768770399 [0,1,0,0,0,0|2,0,0]=3 82 B8R1.2 FCC1CNCCO1 Z1262569974 [0,1,0,0,0,0|3,0,0]=4 83 B8R1.2 N#CC1CCCCC1 Z210803886 [0,1,0,0,0,0|1,0,0]=2 84 B8R1.2 N#CC1CCCCN1 Z205012332 [0,1,0,0,0,0|2,0,0]=3 85 B8R1.2 N#CC1CCCCS1 Z1413800329 [0,1,0,0,0,0|2,0,0]=3 86 B8R1.2 N#CC1CCCNC1 Z1198184383 [0,1,0,0,0,0|2,0,0]=3 87 B8R1.2 N#CC1CCCOC1 Z1079179226 [0,1,0,0,0,0|2,0,0]=3 88 B8R1.2 N#CC1CCNCC1 Z969559998 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.2 N#CC1CCOCC1 Z440605452 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.2 N#CC1CNCCN1 Z1741976055 [0,1,0,0,0,0|3,0,0]=4 91 B8R1.2 N#CC1CNCCO1 Z1263820378 [0,1,0,0,0,0|3,0,0]=4 92 B8R1.2 N#CC1COCCN1 Z1198234963 [0,1,0,0,0,0|3,0,0]=4 93 B8R1.2 N#CC1CSCCO1 Z1356110445 [0,1,0,0,0,0|3,0,0]=4 94 B8R1.2 N#CC1CSCCS1 Z1201618343 [0,1,0,0,0,0|3,0,0]=4 95 B8R1.2 N#CN1CCOCC1 Z1255457411 [0,1,0,0,0,0|3,0,0]=4 96 B8R1.2 NCC1=CCCCC1 Z2230911155 [0,1,0,0,0,0|1,0,2]=4 97 B8R1.2 NCC1CCCCC1 Z235354645 [0,1,0,0,0,0|1,0,0]=2 98 B8R1.2 NCC1CCCCO1 Z839575544 [0,1,0,0,0,0|2,0,0]=3 99 B8R1.2 NCC1CCCCS1 Z1318217220 [0,1,0,0,0,0|2,0,0]=3 100 B8R1.2 NCC1CCOCC1 Z440605454 [0,1,0,0,0,0|2,0,0]=3 101 B8R1.2 NCC1CCOCO1 Z1431005851 [0,1,0,0,0,0|3,0,0]=4 102 B8R1.2 NCC1COCCN1 Z2768165249 [0,1,0,0,0,0|3,0,0]=4 103 B8R1.2 NCC1CSCCN1 Z1203585142 [0,1,0,0,0,0|3,0,0]=4 104 B8R1.2 NCC1CSCCS1 Z1198167851 [0,1,0,0,0,0|3,0,0]=4 105 B8R1.2 NC[C@H]1CCCNC1 Z2686452674 [0,1,0,0,0,0|2,0,0]=3 106 B8R1.2 NOC1CCCCO1 Z968560364 [0,1,0,0,0,0|1,0,0]=2 107 B8R1.2 O=CC1=CCCCC1 Z1190318865 [0,1,0,0,0,0|0,0,3]=4 108 B8R1.2 O=CC1CC=CCC1 Z57936862 [0,1,0,0,0,0|0,0,3]=4 109 B8R1.2 O=CC1CCCCC1 Z104478974 [0,1,0,0,0,0|0,0,1]=2 110 B8R1.2 O=CC1CCCCO1 Z1079442734 [0,1,0,0,0,0|1,0,1]=3 111 B8R1.2 O=CC1CCCOC1 Z1065877672 [0,1,0,0,0,0|1,0,1]=3 112 B8R1.2 O=CC1CCCSC1 Z1255489365 [0,1,0,0,0,0|1,0,1]=3 113 B8R1.2 O=CC1CCOCC1 Z979759508 [0,1,0,0,0,0|1,0,1]=3 114 B8R1.2 O=CC1CCSCC1 Z1201622265 [0,1,0,0,0,0|1,0,1]=3 115 B8R1.2 O=CN1CCCCC1 Z1255415437 [0,1,0,0,0,0|1,0,1]=3 116 B8R1.2 O=CN1CCNCC1 Z104479110 [0,1,0,0,0,0|2,0,1]=4 117 B8R1.2 O=CN1CCOCC1 Z295197308 [0,1,0,0,0,0|2,0,1]=4 118 B8R1.2 O=NN1CCCCC1 Z1198147906 [0,1,0,0,0,0|1,0,1]=3 119 B8R1.2 O=NN1CCNCC1 Z1198149478 [0,1,0,0,0,0|2,0,1]=4 120 B8R1.2 O=NN1CCOCC1 Z1255360497 [0,1,0,0,0,0|2,0,1]=4 121 B8R1.2 O=NN1CCSCC1 Z1198157610 [0,1,0,0,0,0|2,0,1]=4 122 B8R1.2 OCC1=CCNCC1 Z2310702179 [0,1,0,0,0,0|1,0,2]=4 123 B8R1.2 OCC1C=CCCN1 Z4430264645 [0,1,0,0,0,0|1,0,2]=4 124 B8R1.2 OCC1CC=CCC1 Z104476102 [0,1,0,0,0,0|0,0,2]=3 125 B8R1.2 OCC1CCCCC1 Z104503428 [0,1,0,0,0,0|0,0,0]=1 126 B8R1.2 OCC1CCCCN1 Z104476610 [0,1,0,0,0,0|1,0,0]=2 127 B8R1.2 OCC1CCCCO1 Z104479808 [0,1,0,0,0,0|1,0,0]=2 128 B8R1.2 OCC1CCCNC1 Z104479614 [0,1,0,0,0,0|1,0,0]=2 129 B8R1.2 OCC1CCCOC1 Z445213352 [0,1,0,0,0,0|1,0,0]=2 130 B8R1.2 OCC1CCNCC1 Z380864362 [0,1,0,0,0,0|1,0,0]=2 131 B8R1.2 OCC1CCOCC1 Z979753218 [0,1,0,0,0,0|1,0,0]=2 132 B8R1.2 OCC1CCSCC1 Z1198266791 [0,1,0,0,0,0|1,0,0]=2 133 B8R1.2 OCC1CNCCO1 Z1235945999 [0,1,0,0,0,0|2,0,0]=3 134 B8R1.2 OCC1COCCN1 Z2513335525 [0,1,0,0,0,0|2,0,0]=3 135 B8R1.2 OCC1COCCO1 Z1020816972 [0,1,0,0,0,0|2,0,0]=3 136 B8R1.2 OCC1CSCCN1 Z1203733048 [0,1,0,0,0,0|2,0,0]=3 137 B8R1.2 OC[C@H]1CCCCN1 Z1203731003 [0,1,0,0,0,0|1,0,0]=2 138 B8R1.2 ON=C1CCCCC1 Z49568468 [0,1,0,0,0,0|0,0,1]=2 139 B8R1.2 [C-]#[N+]C1CCOCC1 Z1725967213 [0,1,0,0,0,0|2,0,0]=3 140 B8R1.3 CC1=CCC(CC1)N Z3857655203 [0,1,0,0,0,0|1,0,2]=4 141 B8R1.3 CC1CCC(=O)CC1 Z57073963 [0,1,0,0,0,0|0,0,2]=3 142 B8R1.3 CC1CCC(=O)NC1 Z969194082 [0,1,0,0,0,0|1,0,2]=4 143 B8R1.3 CC1CCC(CC1)O Z104476106 [0,1,0,0,0,0|0,0,0]=1 144 B8R1.3 CC1CCC(CN1)N Z3544167688 [0,1,0,0,0,0|2,0,0]=3 145 B8R1.3 CC1CCC(CN1)O Z2350906968 [0,1,0,0,0,0|1,0,0]=2 146 B8R1.3 CC1CCC(CO1)O Z1898581838 [0,1,0,0,0,0|1,0,0]=2 147 B8R1.3 CC1CNC(CN1)C Z1255523274 [0,1,0,0,0,0|3,0,0]=4 148 B8R1.3 CC1COC(CN1)C Z327218388 [0,1,0,0,0,0|3,0,0]=4 149 B8R1.3 CN1CCC(CC1)N Z89283296 [0,1,0,0,0,0|2,0,0]=3 150 B8R1.3 C[C@@H]1CC[C@@H](CN1)O Z2309899176 [0,1,0,0,0,0|1,0,0]=2 151 B8R1.3 C[C@@H]1CC[C@H](CN1)O Z2327179252 [0,1,0,0,0,0|1,0,0]=2 152 B8R1.3 C[C@H]1CC[C@@H](CC1)N Z1150306734 [0,1,0,0,0,0|1,0,0]=2 153 B8R1.3 NC1CCC(=O)CC1 Z1198169628 [0,1,0,0,0,0|0,0,2]=3 154 B8R1.3 NC1CCC(=O)NC1 Z992717028 [0,1,0,0,0,0|1,0,2]=4 155 B8R1.3 NC1CCC(CC1)N Z104477550 [0,1,0,0,0,0|1,0,0]=2 156 B8R1.3 O=C1CCC(=O)CC1 Z877626718 [0,1,0,0,0,0|0,0,3]=4 157 B8R1.3 O=C1CCS(=O)CC1 Z826531086 [0,1,0,0,0,0|1,0,2]=4 158 B8R1.3 O=C1NCC(CN1)O Z1198163621 [0,1,0,0,0,0|2,0,1]=4 159 B8R1.3 OC1CCC(CC1)O Z1178486717 [0,1,0,0,0,0|0,0,0]=1 160 B8R1.4 CC1=CC(CCC1)N Z3895215954 [0,1,0,0,0,0|1,0,2]=4 161 B8R1.4 CC1=CC(CCC1)O Z1255423437 [0,1,0,0,0,0|0,0,2]=3 162 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [0,1,0,0,0,0|1,0,2]=4 163 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [0,1,0,0,0,0|1,0,2]=4 164 B8R1.4 CC1CC(CCN1)N Z3950506166 [0,1,0,0,0,0|2,0,0]=3 165 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,1,0,0,0,0|0,0,2]=3 166 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [0,1,0,0,0,0|1,0,2]=4 167 B8R1.4 CC1CCCC(C1)N Z367450918 [0,1,0,0,0,0|1,0,0]=2 168 B8R1.4 CC1CCCC(N1)C Z104474330 [0,1,0,0,0,0|2,0,0]=3 169 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,1,0,0,0,0|1,0,2]=4 170 B8R1.4 CC1CN(CCN1)C Z1162470821 [0,1,0,0,0,0|3,0,0]=4 171 B8R1.4 CC1CNCC(C1)C Z104474332 [0,1,0,0,0,0|2,0,0]=3 172 B8R1.4 CC1CNCC(C1)O Z2255082098 [0,1,0,0,0,0|1,0,0]=2 173 B8R1.4 CC1CNCC(N1)C Z916970166 [0,1,0,0,0,0|3,0,0]=4 174 B8R1.4 CC1CNCC(O1)C Z104472602 [0,1,0,0,0,0|3,0,0]=4 175 B8R1.4 CC1CNCC(S1)C Z855784294 [0,1,0,0,0,0|3,0,0]=4 176 B8R1.4 CC1COCC(N1)C Z1255523283 [0,1,0,0,0,0|3,0,0]=4 177 B8R1.4 CC1CS(=O)CCN1 Z1227754708 [0,1,0,0,0,0|2,0,1]=4 178 B8R1.4 CN1CC(CCO1)O Z5948414894 [0,1,0,0,0,0|2,0,0]=3 179 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [0,1,0,0,0,0|1,0,2]=4 180 B8R1.4 CN1CCCC(C1)N Z600584196 [0,1,0,0,0,0|2,0,0]=3 181 B8R1.4 C[C@@H]1CCC[C@H](N1)C Z1925930354 [0,1,0,0,0,0|2,0,0]=3 182 B8R1.4 C[C@@H]1CCN[C@@H](C1)C Z2309899803 [0,1,0,0,0,0|2,0,0]=3 183 B8R1.4 C[C@@H]1CN(CCN1)C Z3379438692 [0,1,0,0,0,0|3,0,0]=4 184 B8R1.4 C[C@@H]1CNC[C@@H](C1)C Z2944520936 [0,1,0,0,0,0|2,0,0]=3 185 B8R1.4 C[C@@H]1CNC[C@@H](C1)O Z2301535259 [0,1,0,0,0,0|1,0,0]=2 186 B8R1.4 C[C@@H]1CNC[C@H](C1)O Z4073561603 [0,1,0,0,0,0|1,0,0]=2 187 B8R1.4 C[C@@H]1C[C@@H](CCN1)O Z2568671386 [0,1,0,0,0,0|1,0,0]=2 188 B8R1.4 C[C@@H]1C[C@H](CCO1)N Z4121905902 [0,1,0,0,0,0|2,0,0]=3 189 B8R1.4 C[C@H]1CCC[C@H](N1)C Z1203730759 [0,1,0,0,0,0|2,0,0]=3 190 B8R1.4 C[C@H]1CNC[C@H](N1)C Z1203730758 [0,1,0,0,0,0|3,0,0]=4 191 B8R1.4 C[C@H]1CNC[C@H](O1)C Z1203730781 [0,1,0,0,0,0|3,0,0]=4 192 B8R1.4 F[C@@H]1CNC[C@@H](C1)F Z4085231057 [0,1,0,0,0,0|2,0,0]=3 193 B8R1.4 NC1CCCC(C1)O Z2724335128 [0,1,0,0,0,0|0,0,0]=1 194 B8R1.4 NC1CNCC(C1)O Z4465943159 [0,1,0,0,0,0|1,0,0]=2 195 B8R1.4 N[C@@H]1CNC[C@@H](C1)N Z3175310488 [0,1,0,0,0,0|2,0,0]=3 196 B8R1.4 N[C@H]1CCC[C@H](C1)O Z1203578804 [0,1,0,0,0,0|0,0,0]=1 197 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,1,0,0,0,0|1,0,1]=3 198 B8R1.4 O[C@@H]1CNC[C@@H](C1)F Z2525157521 [0,1,0,0,0,0|1,0,0]=2 199 B8R1.4 O[C@@H]1CNC[C@@H](C1)O Z1310777672 [0,1,0,0,0,0|1,0,0]=2 200 B8R1.5 CC1CCCCC1=O Z104477192 [0,1,0,0,0,0|0,0,2]=3 201 B8R1.5 CC1CCCCC1O Z104478402 [0,1,0,0,0,0|0,0,0]=1 202 B8R1.5 CC1CCCNC1=O Z1013766916 [0,1,0,0,0,0|1,0,2]=4 203 B8R1.5 CC1CCCNC1C Z959345762 [0,1,0,0,0,0|2,0,0]=3 204 B8R1.5 CC1CCNCC1N Z4351244628 [0,1,0,0,0,0|2,0,0]=3 205 B8R1.5 CC1CCOCC1N Z3035821495 [0,1,0,0,0,0|2,0,0]=3 206 B8R1.5 CC1CNCCC1=O Z1741969235 [0,1,0,0,0,0|1,0,2]=4 207 B8R1.5 CC1CNCCC1O Z1742055068 [0,1,0,0,0,0|1,0,0]=2 208 B8R1.5 CC1CNCCN1C Z2408371461 [0,1,0,0,0,0|3,0,0]=4 209 B8R1.5 CC1COCCC1=O Z1192338803 [0,1,0,0,0,0|1,0,2]=4 210 B8R1.5 CC1COCCC1N Z1868316869 [0,1,0,0,0,0|2,0,0]=3 211 B8R1.5 CC1COCCC1O Z1255390393 [0,1,0,0,0,0|1,0,0]=2 212 B8R1.5 CC1NCCCC1O Z2235409289 [0,1,0,0,0,0|1,0,0]=2 213 B8R1.5 CC1NCCNC1C Z1255428000 [0,1,0,0,0,0|3,0,0]=4 214 B8R1.5 CC1NCCOC1C Z1187835063 [0,1,0,0,0,0|3,0,0]=4 215 B8R1.5 CC1SCCCC1=O Z1359849054 [0,1,0,0,0,0|1,0,2]=4 216 B8R1.5 C[C@@H]1CC=CC[C@H]1N Z2935743479 [0,1,0,0,0,0|1,0,2]=4 217 B8R1.5 C[C@@H]1CCCC[C@H]1O Z1896168809 [0,1,0,0,0,0|0,0,0]=1 218 B8R1.5 C[C@@H]1CCNC[C@@H]1O Z2307368538 [0,1,0,0,0,0|1,0,0]=2 219 B8R1.5 C[C@@H]1NCCC[C@@H]1N Z5041247026 [0,1,0,0,0,0|2,0,0]=3 220 B8R1.5 C[C@@H]1NCCC[C@@H]1O Z2568757708 [0,1,0,0,0,0|1,0,0]=2 221 B8R1.5 C[C@@H]1NCCO[C@@H]1C Z2412195478 [0,1,0,0,0,0|3,0,0]=4 222 B8R1.5 C[C@@H]1NCCO[C@H]1C Z4524514028 [0,1,0,0,0,0|3,0,0]=4 223 B8R1.5 C[C@H]1CCCC[C@@H]1O Z1255486326 [0,1,0,0,0,0|0,0,0]=1 224 B8R1.5 C[C@H]1CCCC[C@H]1N Z3244401660 [0,1,0,0,0,0|1,0,0]=2 225 B8R1.5 NC1CCCCC1=O Z2186882796 [0,1,0,0,0,0|0,0,2]=3 226 B8R1.5 NC1CCCCC1N Z104474510 [0,1,0,0,0,0|1,0,0]=2 227 B8R1.5 NC1CCCNC1=O Z993991168 [0,1,0,0,0,0|1,0,2]=4 228 B8R1.5 NC1CCOCC1O Z2688974552 [0,1,0,0,0,0|1,0,0]=2 229 B8R1.5 NN1CCCCC1=O Z976663668 [0,1,0,0,0,0|1,0,2]=4 230 B8R1.5 N[C@@H]1CCCC[C@@H]1F Z2724313717 [0,1,0,0,0,0|1,0,0]=2 231 B8R1.5 N[C@@H]1CCCC[C@@H]1O Z2235399143 [0,1,0,0,0,0|0,0,0]=1 232 B8R1.5 N[C@@H]1COCC[C@H]1N Z4745609917 [0,1,0,0,0,0|2,0,0]=3 233 B8R1.5 N[C@@H]1COCC[C@H]1O Z2309916421 [0,1,0,0,0,0|1,0,0]=2 234 B8R1.5 N[C@H]1CCCC[C@@H]1N Z1147137780 [0,1,0,0,0,0|1,0,0]=2 235 B8R1.5 N[C@H]1CCCC[C@H]1N Z1203577984 [0,1,0,0,0,0|1,0,0]=2 236 B8R1.5 O=C1CCCCC1=O Z90122041 [0,1,0,0,0,0|0,0,3]=4 237 B8R1.5 O=C1CCCCC1Cl Z94598693 [0,1,0,0,0,0|0,0,2]=3 238 B8R1.5 O=C1NCCCC1F Z1203749514 [0,1,0,0,0,0|1,0,2]=4 239 B8R1.5 OC1CCCCC1O Z600453486 [0,1,0,0,0,0|0,0,0]=1 240 B8R1.5 OC1CCNCC1F Z1416168950 [0,1,0,0,0,0|1,0,0]=2 241 B8R1.5 OC1NCCCC1F Z3995268169 [0,1,0,0,0,0|1,0,0]=2 242 B8R1.5 O[C@@H]1CCCC[C@H]1O Z2240998867 [0,1,0,0,0,0|0,0,0]=1 243 B8R1.5 O[C@@H]1CNCC[C@H]1F Z2307343627 [0,1,0,0,0,0|1,0,0]=2 244 B8R1.5 O[C@H]1CONC[C@H]1O Z3073361071 [0,1,0,0,0,0|2,0,0]=3 245 B8R1.72 CC1(C=CCCC1)O Z1691624687 [0,1,0,0,0,0|0,0,2]=3 246 B8R1.72 CC1(CC=CCC1)N Z2286631083 [0,1,0,0,0,0|1,0,2]=4 247 B8R1.72 CC1(CCCCC1)N Z752370810 [0,1,0,0,0,0|1,0,0]=2 248 B8R1.72 CC1(CCCCC1)O Z449370586 [0,1,0,0,0,0|0,0,0]=1 249 B8R1.72 CC1(CCCCN1)C Z3243651326 [0,1,0,0,0,0|2,0,0]=3 250 B8R1.72 CC1(CCCNC1)C Z1182379631 [0,1,0,0,0,0|2,0,0]=3 251 B8R1.72 CC1(CCCOC1)N Z1582263087 [0,1,0,0,0,0|2,0,0]=3 252 B8R1.72 CC1(CCNCC1)C Z1198394222 [0,1,0,0,0,0|2,0,0]=3 253 B8R1.72 CC1(CCNCC1)F Z2738358281 [0,1,0,0,0,0|2,0,0]=3 254 B8R1.72 CC1(CCNCC1)O Z1416200885 [0,1,0,0,0,0|1,0,0]=2 255 B8R1.72 CC1(CNCCO1)C Z374049350 [0,1,0,0,0,0|3,0,0]=4 256 B8R1.72 CC1(CNCCS1)C Z1203749178 [0,1,0,0,0,0|3,0,0]=4 257 B8R1.72 CC1(COCOC1)C Z1198147441 [0,1,0,0,0,0|3,0,0]=4 258 B8R1.72 CC1(CSCCN1)C Z1203747824 [0,1,0,0,0,0|3,0,0]=4 259 B8R1.72 FC1(CCCNC1)F Z1203161889 [0,1,0,0,0,0|2,0,0]=3 260 B8R1.72 FC1(CCNCC1)F Z1741959990 [0,1,0,0,0,0|2,0,0]=3 261 B8R1.72 N=S1(=O)CCCCC1 Z2941529962 [0,1,0,0,0,0|1,0,1]=3 262 B8R1.72 N=S1(=O)CCNCC1 Z4658857975 [0,1,0,0,0,0|2,0,1]=4 263 B8R1.72 N=S1(=O)CCOCC1 Z1198235499 [0,1,0,0,0,0|2,0,1]=4 264 B8R1.72 O=S1(=O)CCCCN1 Z1201622708 [0,1,0,0,0,0|2,0,1]=4 265 B8R1.72 O=S1(=O)CCNCC1 Z1263529638 [0,1,0,0,0,0|2,0,1]=4 266 B8R1.72 O=S1(=O)CCOCC1 Z992614860 [0,1,0,0,0,0|2,0,1]=4 267 B6R0.1 C#CCC(N)CC Z969111798 [0,0,1,0,0,0|1,0,2]=4 268 B6R0.1 C#CCC(O)CN Z2491498074 [0,0,1,0,0,0|1,0,2]=4 269 B6R0.1 C=CCC(N)CC Z1981870426 [0,0,1,0,0,0|1,0,2]=4 270 B6R0.1 C=CCC(O)CC Z808662120 [0,0,1,0,0,0|0,0,2]=3 271 B6R0.1 CC(CN)CCO Z1203581915 [0,0,1,0,0,0|3,0,0]=4 272 B6R0.1 CC(CO)CCN Z5410631465 [0,0,1,0,0,0|3,0,0]=4 273 B6R0.1 CCC(=O)COC Z825742020 [0,0,1,0,0,0|1,0,2]=4 274 B6R0.1 CCC(C)CNC Z1266854907 [0,0,1,0,0,0|2,0,0]=3 275 B6R0.1 CCC(N)CCO Z1258578227 [0,0,1,0,0,0|2,0,0]=3 276 B6R0.1 CCC(N)COC Z825742260 [0,0,1,0,0,0|2,0,0]=3 277 B6R0.1 CCC(O)CCN Z406342052 [0,0,1,0,0,0|1,0,0]=2 278 B6R0.1 CCC(O)CCO Z1198157972 [0,0,1,0,0,0|1,0,0]=2 279 B6R0.1 CCCC(=O)CN Z1203579017 [0,0,1,0,0,0|1,0,2]=4 280 B6R0.1 CCCC(C)C#N Z415654768 [0,0,1,0,0,0|2,0,1]=4 281 B6R0.1 CCCC(C)NC Z394693580 [0,0,1,0,0,0|2,0,0]=3 282 B6R0.1 CCCC(N)C#N Z398513448 [0,0,1,0,0,0|2,0,1]=4 283 B6R0.1 CCCC(N)CC Z1642389626 [0,0,1,0,0,0|1,0,0]=2 284 B6R0.1 CCCC(N)CN Z425861040 [0,0,1,0,0,0|2,0,0]=3 285 B6R0.1 CCCC(O)CN Z419084742 [0,0,1,0,0,0|1,0,0]=2 286 B6R0.1 CCNC(C)CC Z2509351098 [0,0,1,0,0,0|2,0,0]=3 287 B6R0.1 CCOC(=N)CC Z3033961910 [0,0,1,0,0,0|2,0,1]=4 288 B6R0.1 CCOC(C)CN Z844631802 [0,0,1,0,0,0|3,0,0]=4 289 B6R0.1 CCS(=O)CCN Z1266854910 [0,0,1,0,0,0|2,0,1]=4 290 B6R0.1 CNC(C)CCO Z1198266877 [0,0,1,0,0,0|3,0,0]=4 291 B6R0.1 CNC(C)COC Z815264298 [0,0,1,0,0,0|3,0,0]=4 292 B6R0.1 CNC(C)CSC Z995116552 [0,0,1,0,0,0|3,0,0]=4 293 B6R0.1 CNCC(C)OC Z2065788390 [0,0,1,0,0,0|3,0,0]=4 294 B6R0.1 CNC[C@H](O)CO Z600533638 [0,0,1,0,0,0|2,0,0]=3 295 B6R0.1 COC(C)CCN Z802903932 [0,0,1,0,0,0|3,0,0]=4 296 B6R0.1 COCC(C)CO Z1192375999 [0,0,1,0,0,0|3,0,0]=4 297 B6R0.1 COCC(N)CN Z1203580237 [0,0,1,0,0,0|3,0,0]=4 298 B6R0.1 COCC(N)CO Z1945984156 [0,0,1,0,0,0|3,0,0]=4 299 B6R0.1 COCC(O)CN Z271097108 [0,0,1,0,0,0|2,0,0]=3 300 B6R0.1 CSC(C)CCN Z732208464 [0,0,1,0,0,0|3,0,0]=4 301 B6R0.1 CSC(C)CCO Z1262258908 [0,0,1,0,0,0|3,0,0]=4 302 B6R0.1 CSCC(C)CN Z732208434 [0,0,1,0,0,0|3,0,0]=4 303 B6R0.1 CSCC(C)CO Z1270310211 [0,0,1,0,0,0|3,0,0]=4 304 B6R0.1 CSCC(O)CO Z1126770422 [0,0,1,0,0,0|2,0,0]=3 305 B6R0.1 NCC[C@H](F)CN Z4607150940 [0,0,1,0,0,0|3,0,0]=4 306 B6R0.4 C#CCCC(C)O Z854048672 [0,0,1,0,0,0|0,0,2]=3 307 B6R0.4 C=CCCC(C)N Z3681295487 [0,0,1,0,0,0|1,0,2]=4 308 B6R0.4 CC#CCC(C)N Z975788700 [0,0,1,0,0,0|1,0,2]=4 309 B6R0.4 CC(C)CCCN Z992716898 [0,0,1,0,0,0|2,0,0]=3 310 B6R0.4 CC(C)NCCN Z3375885739 [0,0,1,0,0,0|3,0,0]=4 311 B6R0.4 CC(C)NCCO Z137800940 [0,0,1,0,0,0|3,0,0]=4 312 B6R0.4 CC(C)OCCN Z1688198421 [0,0,1,0,0,0|3,0,0]=4 313 B6R0.4 CC(C)OCCO Z104478444 [0,0,1,0,0,0|3,0,0]=4 314 B6R0.4 CC(C)SCCN Z2092369402 [0,0,1,0,0,0|3,0,0]=4 315 B6R0.4 CC(N)CCCN Z2230911100 [0,0,1,0,0,0|2,0,0]=3 316 B6R0.4 CC(N)CCCO Z1203578676 [0,0,1,0,0,0|2,0,0]=3 317 B6R0.4 CC(O)CCCN Z1198178891 [0,0,1,0,0,0|1,0,0]=2 318 B6R0.4 CCCCB(O)O Z1147227739 [0,0,1,0,0,0|2,0,0]=3 319 B6R0.4 CCCCC(=N)N Z1723418909 [0,0,1,0,0,0|2,0,1]=4 320 B6R0.4 CCCCC(=O)N Z104476278 [0,0,1,0,0,0|1,0,2]=4 321 B6R0.4 CCCCC(=O)O Z104473312 [0,0,1,0,0,0|1,0,1]=3 322 B6R0.4 CCCCC(C)N Z3300506318 [0,0,1,0,0,0|1,0,0]=2 323 B6R0.4 CCCNC(=O)C Z33030314 [0,0,1,0,0,0|1,0,2]=4 324 B6R0.4 CCNCC(=O)O Z744593094 [0,0,1,0,0,0|2,0,1]=4 325 B6R0.4 CCNCC(C)C Z380844664 [0,0,1,0,0,0|2,0,0]=3 326 B6R0.4 CCNCC(C)O Z138692768 [0,0,1,0,0,0|1,0,0]=2 327 B6R0.4 CCNCC(F)F Z1691545150 [0,0,1,0,0,0|3,0,0]=4 328 B6R0.4 CCOCC(=O)O Z104495232 [0,0,1,0,0,0|2,0,1]=4 329 B6R0.4 CCOCC(C)N Z839575202 [0,0,1,0,0,0|2,0,0]=3 330 B6R0.4 CCSCC(C)N Z1203641186 [0,0,1,0,0,0|2,0,0]=3 331 B6R0.4 CNCCC(=O)C Z1536943318 [0,0,1,0,0,0|1,0,2]=4 332 B6R0.4 CNCCC(C)C Z607822512 [0,0,1,0,0,0|2,0,0]=3 333 B6R0.4 CNCCC(C)O Z1203731868 [0,0,1,0,0,0|1,0,0]=2 334 B6R0.4 CNCCN(C)C Z138123106 [0,0,1,0,0,0|3,0,0]=4 335 B6R0.4 COCCC(=O)C Z362119682 [0,0,1,0,0,0|1,0,2]=4 336 B6R0.4 COCCC(=O)O Z285184634 [0,0,1,0,0,0|2,0,1]=4 337 B6R0.4 COCCC(C)N Z361881180 [0,0,1,0,0,0|2,0,0]=3 338 B6R0.4 COCCC(C)O Z818738042 [0,0,1,0,0,0|1,0,0]=2 339 B6R0.4 COCCN(C)C Z5121096537 [0,0,1,0,0,0|3,0,0]=4 340 B6R0.4 CSCCC(=O)O Z54719251 [0,0,1,0,0,0|2,0,1]=4 341 B6R0.4 NCCCC(=O)O Z104475620 [0,0,1,0,0,0|2,0,1]=4 342 B6R0.4 NCCCC(F)F Z1198165810 [0,0,1,0,0,0|3,0,0]=4 343 B6R0.4 NCCCS(=O)O Z1203579399 [0,0,1,0,0,0|3,0,0]=4 344 B6R0.4 O=C(O)CCCS Z147642510 [0,0,1,0,0,0|2,0,1]=4 345 B6R0.6 C#CCCCCN Z1431002697 [0,0,1,0,0,0|1,0,2]=4 346 B6R0.6 C#CCNCCC Z815264308 [0,0,1,0,0,0|2,0,1]=4 347 B6R0.6 C=CCCCCN Z1198160046 [0,0,1,0,0,0|1,0,2]=4 348 B6R0.6 C=CCNCCO Z137800938 [0,0,1,0,0,0|1,0,2]=4 349 B6R0.6 CCC#CCCN Z1203585246 [0,0,1,0,0,0|1,0,2]=4 350 B6R0.6 CCCCCCO Z104473568 [0,0,1,0,0,0|0,0,0]=1 351 B6R0.6 CCCCN=C=S Z104473876 [0,0,1,0,0,0|1,1,1]=4 352 B6R0.6 CCCNCC#N Z235653524 [0,0,1,0,0,0|2,0,1]=4 353 B6R0.6 CCCOCCN Z4449042604 [0,0,1,0,0,0|2,0,0]=3 354 B6R0.6 CCNCCCF Z1203824341 [0,0,1,0,0,0|2,0,0]=3 355 B6R0.6 CCNCCCO Z138139914 [0,0,1,0,0,0|1,0,0]=2 356 B6R0.6 CCNCCSC Z2412193591 [0,0,1,0,0,0|3,0,0]=4 357 B6R0.6 CCOCCCO Z1080358490 [0,0,1,0,0,0|1,0,0]=2 358 B6R0.6 CNCCCCN Z2939606540 [0,0,1,0,0,0|2,0,0]=3 359 B6R0.6 CNCCCCO Z839096662 [0,0,1,0,0,0|1,0,0]=2 360 B6R0.6 CNCCCOC Z137847932 [0,0,1,0,0,0|3,0,0]=4 361 B6R0.6 CNCCCSC Z102766932 [0,0,1,0,0,0|3,0,0]=4 362 B6R0.6 COCCCC#N Z295205400 [0,0,1,0,0,0|2,0,1]=4 363 B6R0.6 COCCCCO Z431605254 [0,0,1,0,0,0|1,0,0]=2 364 B6R0.6 CONCCCN Z2492414217 [0,0,1,0,0,0|3,0,0]=4 365 B6R0.6 ClCCNCCCl Z57388616 [0,0,1,0,0,0|3,0,0]=4 366 B6R0.6 FCCNCCF Z4880681336 [0,0,1,0,0,0|3,0,0]=4 367 B6R0.6 N#CCCCCN Z823279224 [0,0,1,0,0,0|2,0,1]=4 368 B6R0.6 N#CCCCCO Z431952150 [0,0,1,0,0,0|1,0,1]=3 369 B6R0.6 NCC#CCCO Z1203639371 [0,0,1,0,0,0|1,0,2]=4 370 B6R0.6 NCCC#CCO Z4947584692 [0,0,1,0,0,0|1,0,2]=4 371 B6R0.6 NCCCCCF Z3524160733 [0,0,1,0,0,0|2,0,0]=3 372 B6R0.6 NCCCCCN Z951173830 [0,0,1,0,0,0|2,0,0]=3 373 B6R0.6 NCCNCCN Z104475186 [0,0,1,0,0,0|3,0,0]=4 374 B6R0.6 OCCNCCO Z104475196 [0,0,1,0,0,0|2,0,0]=3 375 B8R2.2 C[C@@]12CNC[C@@H]1C2 Z2961068041 [0,0,0,1,0,0|2,0,0]=3 376 B8R2.2 C[C@]12CCC[C@H]1O2 Z4597543898 [0,0,0,1,0,0|2,0,0]=3 377 B8R2.2 NC12CSCC1C2 Z5976232934 [0,0,0,1,0,0|2,0,0]=3 378 B8R2.2 N[C@@]12CCC[C@@H]1C2 Z2896162962 [0,0,0,1,0,0|1,0,0]=2 379 B8R2.2 N[C@@]12COC[C@@H]1C2 Z2755982948 [0,0,0,1,0,0|2,0,0]=3 380 B8R2.5 NC1CC2C1CC2 Z4081406539 [0,0,0,1,0,0|1,0,0]=2 381 B8R2.5 O=C1N[C@H]2[C@@H]1CC2 Z3977166567 [0,0,0,1,0,0|1,0,2]=4 382 B8R2.11 C[C@H]1[C@H]2[C@@H]1CNC2 Z2740752678 [0,0,0,1,0,0|2,0,0]=3 383 B8R2.11 NC1[C@@H]2[C@H]1CCC2 Z1891701563 [0,0,0,1,0,0|1,0,0]=2 384 B8R2.25 C1=CCC2OC2C1 Z2375612263 [0,0,0,1,0,0|0,0,2]=3 385 B8R2.25 C1CC2CC2CN1 Z2568751757 [0,0,0,1,0,0|2,0,0]=3 386 B8R2.25 C1CC2OC2CO1 Z440605384 [0,0,0,1,0,0|1,0,0]=2 387 B8R2.25 C1CCC2OC2C1 Z239871664 [0,0,0,1,0,0|0,0,0]=1 388 B8R2.25 C1CNC2CC2C1 Z2429425564 [0,0,0,1,0,0|2,0,0]=3 389 B8R2.25 C1COC2CC2N1 Z2238336531 [0,0,0,1,0,0|3,0,0]=4 390 B8R2.34 C1CC2CC1CN2 Z744843462 [0,0,0,1,0,0|2,0,0]=3 391 B8R2.34 C1CC2CCC1N2 Z235340117 [0,0,0,1,0,0|1,0,0]=2 392 B8R2.34 C1NC2CNC1C2 Z2466331627 [0,0,0,1,0,0|3,0,0]=4 393 B8R2.34 C1O[C@@H]2CN[C@H]1C2 Z1198157093 [0,0,0,1,0,0|3,0,0]=4 394 B8R2.38 N[C@@H]1CC[C@H]2[C@@H]1C2 Z5104202649 [0,0,0,1,0,0|1,0,0]=2 395 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 Z2871939424 [0,0,0,1,0,0|1,0,2]=4 396 B6R1.2 C=C1CCNC1 Z3019986853 [0,0,0,0,1,0|2,0,1]=4 397 B6R1.2 CC1CCCN1 Z1274177652 [0,0,0,0,1,0|2,0,0]=3 398 B6R1.2 CC1CCNC1 Z729771722 [0,0,0,0,1,0|2,0,0]=3 399 B6R1.2 CC1CNNC1 Z4953319766 [0,0,0,0,1,0|3,0,0]=4 400 B6R1.2 FC1CCNC1 Z1139751347 [0,0,0,0,1,0|2,0,0]=3 401 B6R1.2 N=C1CCCN1 Z204007506 [0,0,0,0,1,0|2,0,1]=4 402 B6R1.2 NC1C=CCC1 Z2679312470 [0,0,0,0,1,0|1,0,2]=4 403 B6R1.2 NC1CC=CC1 Z1416200863 [0,0,0,0,1,0|1,0,2]=4 404 B6R1.2 NC1CCOC1 Z802544198 [0,0,0,0,1,0|2,0,0]=3 405 B6R1.2 NC1CCSC1 Z1267885911 [0,0,0,0,1,0|2,0,0]=3 406 B6R1.2 N[C@@H]1C=CCC1 Z1203585093 [0,0,0,0,1,0|1,0,2]=4 407 B6R1.2 O=C1CCCN1 Z104472846 [0,0,0,0,1,0|1,0,2]=4 408 B6R1.2 O=C1CCNC1 Z1741976513 [0,0,0,0,1,0|1,0,2]=4 409 B6R1.2 O=C1CCSC1 Z104495638 [0,0,0,0,1,0|1,0,2]=4 410 B6R1.2 O=S1CCCC1 Z278052312 [0,0,0,0,1,0|1,0,1]=3 411 B6R1.2 OC1C=CCC1 Z1255485846 [0,0,0,0,1,0|0,0,2]=3 412 B6R1.2 OC1CCOC1 Z1124541349 [0,0,0,0,1,0|1,0,0]=2 413 B6R1.2 OC1CCSC1 Z335244836 [0,0,0,0,1,0|1,0,0]=2 414 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [0,0,0,0,1,0|1,0,0]=2 415 B6R1.2 O[C@H]1CCNC1 Z1263714116 [0,0,0,0,1,0|1,0,0]=2 416 B8R1.22 CC1CCCCNC1 Z1723849152 [0,0,0,0,0,1|1,0,0]=2 417 B8R1.22 CC1CCCNCC1 Z425362298 [0,0,0,0,0,1|1,0,0]=2 418 B8R1.22 CC1CCNCCN1 Z3006266627 [0,0,0,0,0,1|2,0,0]=3 419 B8R1.22 CC1CCNCCO1 Z2855997854 [0,0,0,0,0,1|2,0,0]=3 420 B8R1.22 CC1CCNCCS1 Z1270499064 [0,0,0,0,0,1|2,0,0]=3 421 B8R1.22 CC1CCOCCN1 Z2940715295 [0,0,0,0,0,1|2,0,0]=3 422 B8R1.22 CC1CCSCCN1 Z1839475384 [0,0,0,0,0,1|2,0,0]=3 423 B8R1.22 CC1CNCCCN1 Z1203732447 [0,0,0,0,0,1|2,0,0]=3 424 B8R1.22 CC1CNCCCO1 Z425722880 [0,0,0,0,0,1|2,0,0]=3 425 B8R1.22 CC1CNCCOC1 Z1216819166 [0,0,0,0,0,1|2,0,0]=3 426 B8R1.22 CC1CNCCSC1 Z1270496770 [0,0,0,0,0,1|2,0,0]=3 427 B8R1.22 CC1COCCCN1 Z1216819161 [0,0,0,0,0,1|2,0,0]=3 428 B8R1.22 CC1CSCCCN1 Z2895198847 [0,0,0,0,0,1|2,0,0]=3 429 B8R1.22 CN1CCCNCC1 Z104479254 [0,0,0,0,0,1|2,0,0]=3 430 B8R1.22 FC1CCCNCC1 Z1255416656 [0,0,0,0,0,1|1,0,0]=2 431 B8R1.22 FC1CNCCOC1 Z4924614783 [0,0,0,0,0,1|2,0,0]=3 432 B8R1.22 NC1CCC=CCC1 Z2824346881 [0,0,0,0,0,1|1,0,1]=3 433 B8R1.22 NC1CCCCCC1 Z104477488 [0,0,0,0,0,1|1,0,0]=2 434 B8R1.22 NC1CCCSCC1 Z3102941972 [0,0,0,0,0,1|1,0,0]=2 435 B8R1.22 NC1COCCOC1 Z1463350443 [0,0,0,0,0,1|2,0,0]=3 436 B8R1.22 NC1CSCCSC1 Z4628238517 [0,0,0,0,0,1|2,0,0]=3 437 B8R1.22 O=C1CCCCCC1 Z104473100 [0,0,0,0,0,1|0,0,2]=3 438 B8R1.22 O=C1CCNCCN1 Z119989554 [0,0,0,0,0,1|1,0,2]=4 439 B8R1.22 O=C1CCOCCN1 Z821098578 [0,0,0,0,0,1|1,0,2]=4 440 B8R1.22 O=C1CCSCCN1 Z1198315286 [0,0,0,0,0,1|1,0,2]=4 441 B8R1.22 O=C1CNCCCN1 Z2756332573 [0,0,0,0,0,1|1,0,2]=4 442 B8R1.22 O=C1COCCCN1 Z1203733065 [0,0,0,0,0,1|1,0,2]=4 443 B8R1.22 OC1CCCNCC1 Z1198309797 [0,0,0,0,0,1|0,0,0]=1 444 B8R1.22 OC1CNCCOC1 Z2234631219 [0,0,0,0,0,1|1,0,0]=2 445 B5R0.1 C#CCC(C)O Z969111576 [1,0,1,0,0,0|0,0,2]=4 446 B5R0.1 CC(C)CCO Z104473558 [1,0,1,0,0,0|2,0,0]=4 447 B5R0.1 CC(N)CCO Z385458430 [1,0,1,0,0,0|2,0,0]=4 448 B5R0.1 CC(O)CC#N Z847151284 [1,0,1,0,0,0|1,0,1]=4 449 B5R0.1 CC(O)CCN Z802904114 [1,0,1,0,0,0|1,0,0]=3 450 B5R0.1 CC(O)CCO Z104473530 [1,0,1,0,0,0|1,0,0]=3 451 B5R0.1 CCCC(=O)O Z104495380 [1,0,1,0,0,0|1,0,1]=4 452 B5R0.1 CCCC(C)N Z2417819590 [1,0,1,0,0,0|1,0,0]=3 453 B5R0.1 CNCC(C)C Z951367674 [1,0,1,0,0,0|2,0,0]=4 454 B5R0.1 CNCC(C)N Z1413780485 [1,0,1,0,0,0|2,0,0]=4 455 B5R0.1 CNCC(C)O Z138692700 [1,0,1,0,0,0|1,0,0]=3 456 B5R0.1 COCC(C)O Z825742124 [1,0,1,0,0,0|1,0,0]=3 457 B5R0.1 COC[C@@H](C)N Z1270482298 [1,0,1,0,0,0|2,0,0]=4 458 B5R0.1 COC[C@H](C)N Z1270502316 [1,0,1,0,0,0|2,0,0]=4 459 B5R0.1 CSCC(C)O Z732208306 [1,0,1,0,0,0|1,0,0]=3 460 B5R0.1 C[C@@H](N)CCO Z1526453858 [1,0,1,0,0,0|2,0,0]=4 461 B5R0.1 C[C@@H](O)CCN Z1860991703 [1,0,1,0,0,0|1,0,0]=3 462 B5R0.2 CC#CCCO Z1033337288 [1,0,1,0,0,0|0,0,2]=4 463 B5R0.2 CCCCC=O Z104472992 [1,0,1,0,0,0|0,0,2]=4 464 B5R0.2 CCCCCN Z104472246 [1,0,1,0,0,0|1,0,0]=3 465 B5R0.2 CCCNCC Z138446288 [1,0,1,0,0,0|1,0,0]=3 466 B5R0.2 CCNCCF Z1198305484 [1,0,1,0,0,0|2,0,0]=4 467 B5R0.2 CCNCCO Z1258992395 [1,0,1,0,0,0|1,0,0]=3 468 B5R0.2 CCNOCC Z223690220 [1,0,1,0,0,0|2,0,0]=4 469 B5R0.2 CCOCCN Z271005962 [1,0,1,0,0,0|2,0,0]=4 470 B5R0.2 CCOCCO Z104473122 [1,0,1,0,0,0|1,0,0]=3 471 B5R0.2 CCSCCN Z3061111063 [1,0,1,0,0,0|2,0,0]=4 472 B5R0.2 CNCCCO Z104756980 [1,0,1,0,0,0|1,0,0]=3 473 B5R0.2 CNCCOC Z1259162131 [1,0,1,0,0,0|2,0,0]=4 474 B5R0.2 CNCCSC Z1398461959 [1,0,1,0,0,0|2,0,0]=4 475 B5R0.2 COCCCO Z431517702 [1,0,1,0,0,0|1,0,0]=3 476 B5R0.2 COCCOC Z104473014 [1,0,1,0,0,0|2,0,0]=4 477 B5R0.2 N#CCCCO Z385458622 [1,0,1,0,0,0|1,0,1]=4 478 B5R0.2 NCCCCF Z2177031126 [1,0,1,0,0,0|2,0,0]=4 479 B5R0.2 NCCCCN Z104472592 [1,0,1,0,0,0|2,0,0]=4 480 B5R0.3 CCC(=O)CC Z104476878 [1,0,1,0,0,0|0,0,2]=4 481 B5R0.3 CCC(C)CN Z2350903977 [1,0,1,0,0,0|2,0,0]=4 482 B5R0.3 CCC(C)NC Z594038230 [1,0,1,0,0,0|2,0,0]=4 483 B5R0.3 CCC(N)CN Z1263714131 [1,0,1,0,0,0|2,0,0]=4 484 B5R0.3 CCC(N)CO Z104474862 [1,0,1,0,0,0|2,0,0]=4 485 B5R0.3 CCC(O)C#N Z419078094 [1,0,1,0,0,0|1,0,1]=4 486 B5R0.3 CCC(O)CN Z419084746 [1,0,1,0,0,0|1,0,0]=3 487 B5R0.3 CCC(O)CO Z600450538 [1,0,1,0,0,0|1,0,0]=3 488 B5R0.3 CC[C@@H](N)CO Z1203162359 [1,0,1,0,0,0|2,0,0]=4 489 B5R0.3 CC[C@H](N)CO Z1203162358 [1,0,1,0,0,0|2,0,0]=4 490 B5R0.3 NCC(O)CF Z2311274712 [1,0,1,0,0,0|2,0,0]=4 491 B5R0.3 OCC(O)CO Z104473548 [1,0,1,0,0,0|2,0,0]=4 492 B5R0.3 OCC(O)CS Z1255382958 [1,0,1,0,0,0|2,0,0]=4 493 B7R0.2 CC(C)CC(C)CO Z1198147790 [0,1,1,0,0,0|2,0,0]=4 494 B7R0.2 CC(C)CC(N)CN Z425861052 [0,1,1,0,0,0|2,0,0]=4 495 B7R0.2 CC(C)CC(N)CO Z734151210 [0,1,1,0,0,0|2,0,0]=4 496 B7R0.2 CC(C)CC(O)CN Z1259162114 [0,1,1,0,0,0|1,0,0]=3 497 B7R0.2 CC(O)CC(C)CN Z1245536559 [0,1,1,0,0,0|2,0,0]=4 498 B7R0.2 CCC(C)CC(C)N Z2472857681 [0,1,1,0,0,0|1,0,0]=3 499 B7R0.2 CN(C)CC(O)CN Z270894906 [0,1,1,0,0,0|2,0,0]=4 500 B7R0.3 CC(CN)CCCO Z2234185702 [0,1,1,0,0,0|2,0,0]=4 501 B7R0.3 CCC(C)NCCO Z335251014 [0,1,1,0,0,0|2,0,0]=4 502 B7R0.3 CCC(N)CCOC Z818738108 [0,1,1,0,0,0|1,0,0]=3 503 B7R0.3 CCC(O)CCCN Z1259162031 [0,1,1,0,0,0|0,0,0]=2 504 B7R0.3 CCCCC(=O)CC Z406378226 [0,1,1,0,0,0|0,0,2]=4 505 B7R0.3 CCCCC(C)NC Z446022384 [0,1,1,0,0,0|2,0,0]=4 506 B7R0.3 CCCCC(N)CC Z3303777618 [0,1,1,0,0,0|1,0,0]=3 507 B7R0.3 CCCCC(N)CN Z756921038 [0,1,1,0,0,0|2,0,0]=4 508 B7R0.3 CCCNC(=O)CC Z33030426 [0,1,1,0,0,0|0,0,2]=4 509 B7R0.3 CCNCC(C)CC Z335456758 [0,1,1,0,0,0|1,0,0]=3 510 B7R0.3 CCNCC(O)CC Z600449680 [0,1,1,0,0,0|0,0,0]=2 511 B7R0.3 CCOCC(O)CN Z271097110 [0,1,1,0,0,0|1,0,0]=3 512 B7R0.3 CCOCC(O)CO Z1178483452 [0,1,1,0,0,0|1,0,0]=3 513 B7R0.3 CCSCC(C)NC Z1238713281 [0,1,1,0,0,0|2,0,0]=4 514 B7R0.3 COCCC(C)CN Z879061310 [0,1,1,0,0,0|2,0,0]=4 515 B7R0.5 C#CCC(O)C(C)C Z969111562 [0,1,1,0,0,0|0,0,2]=4 516 B7R0.5 CC(C)C(C)CCN Z4760484132 [0,1,1,0,0,0|2,0,0]=4 517 B7R0.5 CC(C)C(N)CCO Z979743766 [0,1,1,0,0,0|2,0,0]=4 518 B7R0.5 CC(C)C(O)CC#N Z1255499091 [0,1,1,0,0,0|1,0,1]=4 519 B7R0.5 CC(C)C(O)CCN Z1203588096 [0,1,1,0,0,0|1,0,0]=3 520 B7R0.5 CC(C)C(O)CCO Z1532770488 [0,1,1,0,0,0|1,0,0]=3 521 B7R0.5 CCCC(C)C(C)N Z2737299926 [0,1,1,0,0,0|1,0,0]=3 522 B7R0.5 CCNC(C)C(C)C Z910842872 [0,1,1,0,0,0|2,0,0]=4 523 B7R0.5 CNCC(C)C(C)C Z3894049929 [0,1,1,0,0,0|2,0,0]=4 524 B7R0.5 CNCC(N)C(C)C Z756920458 [0,1,1,0,0,0|2,0,0]=4 525 B7R0.5 COCC(N)C(C)C Z825742262 [0,1,1,0,0,0|2,0,0]=4 526 B7R0.7 CCCC(C)CCN Z2768767726 [0,1,1,0,0,0|1,0,0]=3 527 B7R0.7 CCCC(C)CNC Z3214687920 [0,1,1,0,0,0|1,0,0]=3 528 B7R0.7 CCCC(O)CCO Z1198158209 [0,1,1,0,0,0|0,0,0]=2 529 B7R0.7 CCNC(C)COC Z1245537976 [0,1,1,0,0,0|2,0,0]=4 530 B7R0.7 CCOC(C)OCC Z104476998 [0,1,1,0,0,0|2,0,0]=4 531 B7R0.7 CNCC(C)COC Z905006554 [0,1,1,0,0,0|2,0,0]=4 532 B7R0.7 CNCC(O)COC Z406679976 [0,1,1,0,0,0|1,0,0]=3 533 B7R0.7 COCC(N)CCO Z1238548168 [0,1,1,0,0,0|2,0,0]=4 534 B7R0.7 COCC(O)CCN Z1182310348 [0,1,1,0,0,0|1,0,0]=3 535 B7R0.7 NCCC(N)CCN Z4461966452 [0,1,1,0,0,0|2,0,0]=4 536 B7R0.7 NCCC(O)CCN Z4497194547 [0,1,1,0,0,0|1,0,0]=3 537 B7R0.10 CCC(C)C(N)CO Z1255523308 [0,1,1,0,0,0|2,0,0]=4 538 B7R0.10 CCC(C)C(O)CC Z1138194601 [0,1,1,0,0,0|0,0,0]=2 539 B7R0.10 CCC(C)C(O)CN Z802901690 [0,1,1,0,0,0|1,0,0]=3 540 B7R0.10 OC[C@H](O)[C@H](O)CO Z1203161930 [0,1,1,0,0,0|2,0,0]=4 541 B7R0.11 C#CCC(C)(O)CC Z1098923702 [0,1,1,0,0,0|0,0,2]=4 542 B7R0.11 CC(O)(CO)CCO Z1238572721 [0,1,1,0,0,0|2,0,0]=4 543 B7R0.11 CCC(C)(C)CCN Z2724442932 [0,1,1,0,0,0|2,0,0]=4 544 B7R0.11 CCC(C)(C)CCO Z1198160090 [0,1,1,0,0,0|2,0,0]=4 545 B7R0.11 CCC(C)(N)COC Z4185518785 [0,1,1,0,0,0|2,0,0]=4 546 B7R0.11 CCC(F)(F)CCN Z4655824632 [0,1,1,0,0,0|2,0,0]=4 547 B7R0.11 CCCC(C)(N)CO Z734150846 [0,1,1,0,0,0|2,0,0]=4 548 B7R0.11 COCC(C)(O)CN Z992449016 [0,1,1,0,0,0|2,0,0]=4 549 B7R0.11 CSCC(C)(O)CN Z1235968368 [0,1,1,0,0,0|2,0,0]=4 550 B7R0.12 CCC(CC)CCO Z1198174469 [0,1,1,0,0,0|2,0,0]=4 551 B7R0.12 CCCC(CO)OC Z2050356185 [0,1,1,0,0,0|1,0,0]=3 552 B7R0.12 CCNC(C#N)CC Z2858786062 [0,1,1,0,0,0|2,0,0]=4 553 B7R0.12 CCNC(CC)CC Z2130642482 [0,1,1,0,0,0|2,0,0]=4 554 B7R0.12 COCC(CN)OC Z1820007612 [0,1,1,0,0,0|2,0,0]=4 555 B7R0.4 CC(C)CCCCN Z1250132304 [0,1,1,0,0,0|1,0,0]=3 556 B7R0.4 CC(C)CNCCO Z3269089575 [0,1,1,0,0,0|2,0,0]=4 557 B7R0.4 CC(C)COCCN Z594038266 [0,1,1,0,0,0|2,0,0]=4 558 B7R0.4 CC(C)CSCCN Z1520645037 [0,1,1,0,0,0|2,0,0]=4 559 B7R0.4 CC(C)NCCCO Z56799938 [0,1,1,0,0,0|2,0,0]=4 560 B7R0.4 CC(C)OCCCN Z2677507870 [0,1,1,0,0,0|2,0,0]=4 561 B7R0.4 CC(C)OCCCO Z1080358780 [0,1,1,0,0,0|2,0,0]=4 562 B7R0.4 CC(N)CCCCN Z2186882580 [0,1,1,0,0,0|1,0,0]=3 563 B7R0.4 CC(N)CCCCO Z2234185667 [0,1,1,0,0,0|1,0,0]=3 564 B7R0.4 CCCCCC(=O)O Z104503532 [0,1,1,0,0,0|1,0,1]=4 565 B7R0.4 CCCCCC(C)N Z104495176 [0,1,1,0,0,0|1,0,0]=3 566 B7R0.4 CCCNCC(=O)O Z744582718 [0,1,1,0,0,0|1,0,1]=4 567 B7R0.4 CCCNCC(C)C Z90518190 [0,1,1,0,0,0|1,0,0]=3 568 B7R0.4 CCCNCC(F)F Z1262250827 [0,1,1,0,0,0|2,0,0]=4 569 B7R0.4 CCCOCC(=O)O Z406677750 [0,1,1,0,0,0|1,0,1]=4 570 B7R0.4 CCCSCC(=O)C Z447929234 [0,1,1,0,0,0|0,0,2]=4 571 B7R0.4 CCCSCC(=O)O Z228425458 [0,1,1,0,0,0|1,0,1]=4 572 B7R0.4 CCNCCC(=O)O Z1869802098 [0,1,1,0,0,0|1,0,1]=4 573 B7R0.4 CCOCCC(=O)O Z316258938 [0,1,1,0,0,0|1,0,1]=4 574 B7R0.4 CCSCCC(=O)O Z197206046 [0,1,1,0,0,0|1,0,1]=4 575 B7R0.4 CN(C)CCCCN Z285162754 [0,1,1,0,0,0|2,0,0]=4 576 B7R0.4 CNCCCC(=O)O Z57043473 [0,1,1,0,0,0|1,0,1]=4 577 B7R0.4 CNCCCN(C)C Z138118060 [0,1,1,0,0,0|2,0,0]=4 578 B7R0.4 COCCCC(=O)C Z406376722 [0,1,1,0,0,0|0,0,2]=4 579 B7R0.4 COCCCC(=O)O Z316258912 [0,1,1,0,0,0|1,0,1]=4 580 B7R0.4 COCCCC(C)O Z854048762 [0,1,1,0,0,0|0,0,0]=2 581 B7R0.4 COCCCN(C)C Z2894648941 [0,1,1,0,0,0|2,0,0]=4 582 B7R0.4 CSCCCC(=O)O Z54602911 [0,1,1,0,0,0|1,0,1]=4 583 B7R0.4 NCCCCC(=O)O Z271111992 [0,1,1,0,0,0|1,0,1]=4 584 B7R0.4 NCCCCC(F)F Z4580667156 [0,1,1,0,0,0|2,0,0]=4 585 B7R0.4 O=C(O)CCCCBr Z104479696 [0,1,1,0,0,0|1,0,1]=4 586 B7R0.4 O=C(O)CCCCS Z808230828 [0,1,1,0,0,0|1,0,1]=4 587 B7R0.6 CC(=O)NCC(C)O Z353603952 [0,1,1,0,0,0|1,0,1]=4 588 B7R0.6 CC(C)CCC(=O)O Z56347204 [0,1,1,0,0,0|1,0,1]=4 589 B7R0.6 CC(C)CNC(C)C Z361996484 [0,1,1,0,0,0|2,0,0]=4 590 B7R0.6 CC(N)CCC(=O)O Z1235963367 [0,1,1,0,0,0|1,0,1]=4 591 B7R0.6 CC(N)CCC(F)F Z2737504348 [0,1,1,0,0,0|2,0,0]=4 592 B7R0.6 CC(N)CCN(C)C Z316119490 [0,1,1,0,0,0|2,0,0]=4 593 B7R0.6 CC(N)CCS(=O)C Z1269750451 [0,1,1,0,0,0|1,0,1]=4 594 B7R0.6 CC(O)CCC(=O)O Z838959470 [0,1,1,0,0,0|1,0,1]=4 595 B7R0.6 CC(O)CNC(C)C Z138692704 [0,1,1,0,0,0|1,0,0]=3 596 B7R0.8 CC(C)(C)CCCN Z819989370 [0,1,1,0,0,0|2,0,0]=4 597 B7R0.8 CC(C)(C)CCCO Z1183459256 [0,1,1,0,0,0|2,0,0]=4 598 B7R0.8 CC(C)(N)CCCN Z1184860919 [0,1,1,0,0,0|2,0,0]=4 599 B7R0.8 CC(C)(O)CCCO Z1255438724 [0,1,1,0,0,0|1,0,0]=3 600 B7R0.8 CC(F)(F)CCCN Z2230911371 [0,1,1,0,0,0|2,0,0]=4 601 B7R0.8 CCCCC(C)(C)N Z4437707785 [0,1,1,0,0,0|1,0,0]=3 602 B7R0.8 CCCNC(C)(C)C Z744754558 [0,1,1,0,0,0|2,0,0]=4 603 B7R0.8 CCNCC(C)(C)O Z600453556 [0,1,1,0,0,0|1,0,0]=3 604 B7R0.8 CNCCC(C)(C)C Z2380417739 [0,1,1,0,0,0|2,0,0]=4 605 B7R0.8 CNCCC(C)(C)N Z2313105672 [0,1,1,0,0,0|2,0,0]=4 606 B7R0.8 COCCC(C)(C)N Z879061970 [0,1,1,0,0,0|2,0,0]=4 607 B7R0.1 CC#CCCCCO Z1233226212 [0,1,1,0,0,0|0,0,1]=3 608 B7R0.1 CCCCCCCO Z104473596 [0,1,1,0,0,0|0,0,0]=2 609 B7R0.1 CCCCCCNC Z5419328797 [0,1,1,0,0,0|1,0,0]=3 610 B7R0.1 CCCCOCCN Z409191398 [0,1,1,0,0,0|1,0,0]=3 611 B7R0.1 CCCOCCCO Z1080358966 [0,1,1,0,0,0|0,0,0]=2 612 B7R0.1 CCNCCOCC Z138138014 [0,1,1,0,0,0|2,0,0]=4 613 B7R0.1 CCOCCCC#N Z295205414 [0,1,1,0,0,0|1,0,1]=4 614 B7R0.1 CCOCCCCO Z993012560 [0,1,1,0,0,0|0,0,0]=2 615 B7R0.1 CCSCCCC#N Z332378682 [0,1,1,0,0,0|1,0,1]=4 616 B7R0.1 CNCCCCCN Z4097840720 [0,1,1,0,0,0|1,0,0]=3 617 B7R0.1 CNCCCCOC Z875082126 [0,1,1,0,0,0|1,0,0]=3 618 B7R0.1 COCCCCC#N Z815260498 [0,1,1,0,0,0|1,0,1]=4 619 B7R0.1 COCCCCCN Z608347192 [0,1,1,0,0,0|1,0,0]=3 620 B7R0.1 COCCCCCO Z993012416 [0,1,1,0,0,0|0,0,0]=2 621 B7R0.1 COCCNCCF Z2512872814 [0,1,1,0,0,0|2,0,0]=4 622 B7R0.1 COCCNCCN Z2940670642 [0,1,1,0,0,0|2,0,0]=4 623 B7R0.1 COCCNCCO Z266088374 [0,1,1,0,0,0|1,0,0]=3 624 B7R0.1 COCCOCCN Z285178622 [0,1,1,0,0,0|2,0,0]=4 625 B7R0.1 COCCOCCO Z849748688 [0,1,1,0,0,0|1,0,0]=3 626 B7R0.1 CSCCCCC#N Z823282284 [0,1,1,0,0,0|1,0,1]=4 627 B7R0.1 CSCCCCCN Z823285026 [0,1,1,0,0,0|1,0,0]=3 628 B7R0.1 CSCCCCCO Z968557058 [0,1,1,0,0,0|0,0,0]=2 629 B7R0.1 CSCCCCSC Z1198148193 [0,1,1,0,0,0|1,1,0]=4 630 B7R0.1 ClCCCNCCCl Z2242062238 [0,1,1,0,0,0|2,0,0]=4 631 B7R0.1 N#CCCNCCO Z53116581 [0,1,1,0,0,0|1,0,1]=4 632 B7R0.1 NCCCCCCN Z104473514 [0,1,1,0,0,0|1,0,0]=3 633 B7R0.1 NCCOCCCO Z2044949087 [0,1,1,0,0,0|1,0,0]=3 634 B7R0.1 NCCSCCCO Z406685362 [0,1,1,0,0,0|1,0,0]=3 635 B7R0.1 OCCCCCCBr Z1255398867 [0,1,1,0,0,0|0,0,0]=2 636 B7R0.1 OCCCCCCO Z104473540 [0,1,1,0,0,0|0,0,0]=2 637 B7R0.1 OCCCNCCO Z104654390 [0,1,1,0,0,0|1,0,0]=3 638 B7R0.1 OCCCOCCO Z1373668758 [0,1,1,0,0,0|1,0,0]=3 639 B7R0.1 OCCCSCCO Z149155194 [0,1,1,0,0,0|1,0,0]=3 640 B7R0.1 OCCSSCCO Z1255415413 [0,1,1,0,0,0|2,0,0]=4 641 B7R1.1 BrCC1CCCO1 Z90660999 [0,1,0,0,1,0|2,0,0]=4 642 B7R1.1 C#CC1CCCN1 Z1203832764 [0,1,0,0,1,0|2,0,0]=4 643 B7R1.1 CCC1CCCN1 Z281773802 [0,1,0,0,1,0|2,0,0]=4 644 B7R1.1 CCC1CCNC1 Z1407004100 [0,1,0,0,1,0|2,0,0]=4 645 B7R1.1 CNC1CCCC1 Z102766802 [0,1,0,0,1,0|1,0,0]=3 646 B7R1.1 CNC1CCOC1 Z1079260566 [0,1,0,0,1,0|2,0,0]=4 647 B7R1.1 CNC1CCSC1 Z102767000 [0,1,0,0,1,0|2,0,0]=4 648 B7R1.1 COC1=NCCC1 Z147641734 [0,1,0,0,1,0|1,0,1]=4 649 B7R1.1 CO[C@@H]1CCNC1 Z1335657682 [0,1,0,0,1,0|1,0,0]=3 650 B7R1.1 CO[C@H]1CCNC1 Z1335657810 [0,1,0,0,1,0|1,0,0]=3 651 B7R1.1 ClCC1CCCO1 Z56893271 [0,1,0,0,1,0|2,0,0]=4 652 B7R1.1 FCC1CCCN1 Z2216711551 [0,1,0,0,1,0|2,0,0]=4 653 B7R1.1 N#CC1CCCC1 Z285131394 [0,1,0,0,1,0|1,0,0]=3 654 B7R1.1 N#CC1CCCO1 Z1079178976 [0,1,0,0,1,0|2,0,0]=4 655 B7R1.1 N#CC1CCCS1 Z1201681638 [0,1,0,0,1,0|2,0,0]=4 656 B7R1.1 N#CC1CCNC1 Z2679312473 [0,1,0,0,1,0|2,0,0]=4 657 B7R1.1 N#CC1CCOC1 Z605647006 [0,1,0,0,1,0|2,0,0]=4 658 B7R1.1 NCC1CCCC1 Z367452206 [0,1,0,0,1,0|1,0,0]=3 659 B7R1.1 NCC1CCCS1 Z1201677924 [0,1,0,0,1,0|2,0,0]=4 660 B7R1.1 NC[C@@H]1CCCN1 Z3235020468 [0,1,0,0,1,0|2,0,0]=4 661 B7R1.1 NC[C@H]1CCCN1 Z1483956794 [0,1,0,0,1,0|2,0,0]=4 662 B7R1.1 NNC1CCCC1 Z285139110 [0,1,0,0,1,0|1,0,0]=3 663 B7R1.1 O=CC1CCCC1 Z875036058 [0,1,0,0,1,0|0,0,1]=3 664 B7R1.1 O=CC1CCOC1 Z199056102 [0,1,0,0,1,0|1,0,1]=4 665 B7R1.1 O=CC1CCSC1 Z1201681645 [0,1,0,0,1,0|1,0,1]=4 666 B7R1.1 O=CN1CCCC1 Z1255394997 [0,1,0,0,1,0|1,0,1]=4 667 B7R1.1 OCC1CC=CC1 Z1201622687 [0,1,0,0,1,0|0,0,2]=4 668 B7R1.1 OCC1CCCC1 Z397587414 [0,1,0,0,1,0|0,0,0]=2 669 B7R1.1 OCC1CCCN1 Z825308062 [0,1,0,0,1,0|1,0,0]=3 670 B7R1.1 OCC1CCCS1 Z1201679857 [0,1,0,0,1,0|1,0,0]=3 671 B7R1.1 OCC1CCNC1 Z976722188 [0,1,0,0,1,0|1,0,0]=3 672 B7R1.1 OCC1CCOC1 Z335245192 [0,1,0,0,1,0|1,0,0]=3 673 B7R1.1 OCC1CCSC1 Z1201679855 [0,1,0,0,1,0|1,0,0]=3 674 B7R1.1 OC[C@@H]1CCCN1 Z1123715411 [0,1,0,0,1,0|1,0,0]=3 675 B7R1.2 CC1CC(CN1)O Z1201051000 [0,1,0,0,1,0|1,0,0]=3 676 B7R1.2 CC1CC(CO1)N Z2418414350 [0,1,0,0,1,0|2,0,0]=4 677 B7R1.2 CC1CC(CS1)N Z1203639702 [0,1,0,0,1,0|2,0,0]=4 678 B7R1.2 CC1CCC(C1)O Z1233224917 [0,1,0,0,1,0|0,0,0]=2 679 B7R1.2 CC1CCC(N1)C Z1413780490 [0,1,0,0,1,0|2,0,0]=4 680 B7R1.2 CC1CNC(C1)C Z1250222491 [0,1,0,0,1,0|2,0,0]=4 681 B7R1.2 C[C@H]1CC[C@H](N1)C Z3244812696 [0,1,0,0,1,0|2,0,0]=4 682 B7R1.2 NC1CCS(=O)C1 Z1267860904 [0,1,0,0,1,0|1,0,1]=4 683 B7R1.2 N[C@H]1CC[C@H](C1)N Z2752749810 [0,1,0,0,1,0|1,0,0]=3 684 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,1,0,0,1,0|1,0,1]=4 685 B7R1.4 CC1CCCC1=O Z813018382 [0,1,0,0,1,0|0,0,2]=4 686 B7R1.4 CC1CCCC1N Z1219738990 [0,1,0,0,1,0|1,0,0]=3 687 B7R1.4 CC1CCNC1C Z1335657674 [0,1,0,0,1,0|2,0,0]=4 688 B7R1.4 CC1CNCC1C Z1281657986 [0,1,0,0,1,0|2,0,0]=4 689 B7R1.4 CC1SCCC1N Z2408712737 [0,1,0,0,1,0|2,0,0]=4 690 B7R1.4 C[C@@H]1CCC[C@@H]1N Z2309845262 [0,1,0,0,1,0|1,0,0]=3 691 B7R1.4 C[C@@H]1CCC[C@H]1N Z2568757690 [0,1,0,0,1,0|1,0,0]=3 692 B7R1.4 C[C@@H]1CNC[C@@H]1O Z2309845194 [0,1,0,0,1,0|1,0,0]=3 693 B7R1.4 C[C@@H]1NCC[C@H]1O Z2235678880 [0,1,0,0,1,0|1,0,0]=3 694 B7R1.4 C[C@H]1OCC[C@H]1N Z2186882122 [0,1,0,0,1,0|2,0,0]=4 695 B7R1.4 N[C@@H]1CCC[C@@H]1O Z2306841441 [0,1,0,0,1,0|0,0,0]=2 696 B7R1.4 N[C@@H]1CCC[C@H]1N Z2786079696 [0,1,0,0,1,0|1,0,0]=3 697 B7R1.4 N[C@@H]1CCC[C@H]1O Z2256393934 [0,1,0,0,1,0|0,0,0]=2 698 B7R1.4 N[C@@H]1COC[C@@H]1F Z2756848808 [0,1,0,0,1,0|2,0,0]=4 699 B7R1.4 N[C@@H]1COC[C@H]1F Z4185697479 [0,1,0,0,1,0|2,0,0]=4 700 B7R1.4 N[C@@H]1COC[C@H]1N Z2306914123 [0,1,0,0,1,0|2,0,0]=4 701 B7R1.4 N[C@@H]1CSC[C@@H]1O Z3068057819 [0,1,0,0,1,0|1,0,0]=3 702 B7R1.4 N[C@H]1CCC[C@@H]1O Z1197994837 [0,1,0,0,1,0|0,0,0]=2 703 B7R1.4 N[C@H]1CNC[C@H]1N Z4670285097 [0,1,0,0,1,0|2,0,0]=4 704 B7R1.4 O=C1CCCC1Cl Z104492966 [0,1,0,0,1,0|0,0,2]=4 705 B7R1.4 OC1CCCC1O Z600452564 [0,1,0,0,1,0|0,0,0]=2 706 B7R1.4 OC1CNCC1O Z1147229592 [0,1,0,0,1,0|1,0,0]=3 707 B7R1.4 O[C@@H]1CNC[C@H]1F Z2307368320 [0,1,0,0,1,0|1,0,0]=3 708 B7R1.4 O[C@@H]1CNC[C@H]1O Z2309778206 [0,1,0,0,1,0|1,0,0]=3 709 B7R1.4 O[C@H]1CNC[C@H]1O Z1318268689 [0,1,0,0,1,0|1,0,0]=3 710 B7R1.14 CC1(CCCC1)O Z449370856 [0,1,0,0,1,0|0,0,0]=2 711 B7R1.14 CC1(CCCN1)C Z1259335892 [0,1,0,0,1,0|2,0,0]=4 712 B7R1.14 CC1(CCNC1)C Z1270207926 [0,1,0,0,1,0|2,0,0]=4 713 B7R1.14 CC1(CCNC1)O Z1139194384 [0,1,0,0,1,0|1,0,0]=3 714 B7R1.14 CC1(CCOC1)N Z1895741238 [0,1,0,0,1,0|2,0,0]=4 715 B7R1.14 CC1(CCSC1)N Z4990294346 [0,1,0,0,1,0|2,0,0]=4 716 B7R1.14 CC1(CCSC1)O Z1359841674 [0,1,0,0,1,0|1,0,0]=3 717 B7R1.14 CC1(CNOC1)O Z3035808330 [0,1,0,0,1,0|2,0,0]=4 718 B7R1.14 N=S1(=O)CCCC1 Z1862022759 [0,1,0,0,1,0|1,0,1]=4 719 B9R1.5 CC1CCCCNC1=O Z1198181151 [0,1,0,0,0,1|0,0,2]=4 720 B9R1.5 CC1CCNCCS1=O Z1860991527 [0,1,0,0,0,1|1,0,1]=4 721 B9R1.5 NC1CCCCCC1=O Z2213893401 [0,1,0,0,0,1|1,0,0]=3 722 B9R1.5 NC1CCCCNC1=O Z281895050 [0,1,0,0,0,1|0,0,2]=4 723 B9R1.5 N[C@@H]1CCCCC[C@H]1O Z1198180675 [0,1,0,0,0,1|0,0,0]=2 724 B9R1.5 N[C@H]1CCCCC[C@H]1N Z2895202592 [0,1,0,0,0,1|1,0,0]=3 725 B9R1.5 O=C1CCCCCC1Cl Z223607164 [0,1,0,0,0,1|1,0,0]=3 726 B9R1.5 O=C1NCCCCC1Br Z220343714 [0,1,0,0,0,1|0,0,2]=4 727 B9R1.5 O[C@H]1CCNCC[C@H]1O Z3681811836 [0,1,0,0,0,1|0,0,0]=2 728 B9R1.48 CC1CNCCN(C1)C Z825716170 [0,1,0,0,0,1|2,0,0]=4 729 B9R1.48 CC1CNCCS(=O)C1 Z1868316786 [0,1,0,0,0,1|1,0,1]=4 730 B9R1.48 CN1CCNCC(C1)O Z2310716518 [0,1,0,0,0,1|1,0,0]=3 731 B9R1.48 C[C@@H]1CCNC[C@@H](C1)C Z2865591915 [0,1,0,0,0,1|1,0,0]=3 732 B9R1.48 O=C1CCCCC(=O)C1 Z607750376 [0,1,0,0,0,1|0,0,2]=4 733 B9R1.49 CC1CCCC(NC1)C Z1203830904 [0,1,0,0,0,1|1,0,0]=3 734 B9R1.49 CC1CCS(=O)CCN1 Z1868316872 [0,1,0,0,0,1|1,0,1]=4 735 B9R1.49 CN1CCCC(CC1)N Z2310677587 [0,1,0,0,0,1|1,0,0]=3 736 B9R1.49 C[C@@H]1CCO[C@@H](CN1)C Z3025866678 [0,1,0,0,0,1|2,0,0]=4 737 B9R1.49 O=C1CCCC(CN1)O Z1255401193 [0,1,0,0,0,1|0,0,1]=3 738 B9R1.89 C#CC1CCCCNC1 Z2768767729 [0,1,0,0,0,1|1,0,0]=3 739 B9R1.89 C#CC1CCCNCC1 Z2740753678 [0,1,0,0,0,1|1,0,0]=3 740 B9R1.89 CCC1CCCCCN1 Z992736884 [0,1,0,0,0,1|1,0,0]=3 741 B9R1.89 CCC1CCCNCC1 Z425362302 [0,1,0,0,0,1|1,0,0]=3 742 B9R1.89 CCC1CCNCCO1 Z3275232542 [0,1,0,0,0,1|2,0,0]=4 743 B9R1.89 CCC1CCOCCN1 Z3275231194 [0,1,0,0,0,1|2,0,0]=4 744 B9R1.89 CCN1CCCNCC1 Z239604554 [0,1,0,0,0,1|2,0,0]=4 745 B9R1.89 CNC1CCCCCC1 Z102766800 [0,1,0,0,0,1|1,0,0]=3 746 B9R1.89 CNC1CCCNCC1 Z1171155633 [0,1,0,0,0,1|1,0,0]=3 747 B9R1.89 CNC1CCCOCC1 Z5794487564 [0,1,0,0,0,1|1,0,0]=3 748 B9R1.89 COC1CCCNCC1 Z2492774475 [0,1,0,0,0,1|0,0,0]=2 749 B9R1.89 CSC1CCCCNC1 Z1462950888 [0,1,0,0,0,1|0,1,0]=3 750 B9R1.89 FCC1CNCCCO1 Z2295370275 [0,1,0,0,0,1|2,0,0]=4 751 B9R1.89 NCC1C=CCCCC1 Z3443270742 [0,1,0,0,0,1|1,0,1]=4 752 B9R1.89 NCC1CCC=CCC1 Z2895896095 [0,1,0,0,0,1|1,0,1]=4 753 B9R1.89 NCC1CCCCCC1 Z415655096 [0,1,0,0,0,1|1,0,0]=3 754 B9R1.89 NCC1CCCOCC1 Z4438964521 [0,1,0,0,0,1|1,0,0]=3 755 B9R1.89 NCC1CCCSCC1 Z3037487975 [0,1,0,0,0,1|1,0,0]=3 756 B9R1.89 NCC1COCCOC1 Z2310678775 [0,1,0,0,0,1|2,0,0]=4 757 B9R1.89 O/N=C\1/CCCCCN1 Z56928892 [0,1,0,0,0,1|0,0,1]=3 758 B9R1.89 O=CC1=CCCCCC1 Z1190318867 [0,1,0,0,0,1|0,0,2]=4 759 B9R1.89 O=CC1CCCCCC1 Z1079442748 [0,1,0,0,0,1|0,0,1]=3 760 B9R1.89 O=CC1CCCOCC1 Z1268606450 [0,1,0,0,0,1|0,0,1]=3 761 B9R1.89 O=CC1COCCOC1 Z1813175634 [0,1,0,0,0,1|1,0,1]=4 762 B9R1.89 O=CN1CCCNCC1 Z104510266 [0,1,0,0,0,1|1,0,1]=4 763 B9R1.89 OCC1CCCCCC1 Z992928672 [0,1,0,0,0,1|0,0,0]=2 764 B9R1.89 OCC1CCCCNC1 Z1318147457 [0,1,0,0,0,1|0,0,0]=2 765 B9R1.148 CC1(CCCCCC1)N Z1210869367 [0,1,0,0,0,1|1,0,0]=3 766 B9R1.148 CC1(CCCCCC1)O Z449370874 [0,1,0,0,0,1|0,0,0]=2 767 B9R1.148 CC1(CCCCNC1)C Z1504672380 [0,1,0,0,0,1|1,0,0]=3 768 B9R1.148 CC1(CCCNCC1)C Z1258846913 [0,1,0,0,0,1|1,0,0]=3 769 B9R1.148 CC1(CCCNCC1)O Z1945705132 [0,1,0,0,0,1|0,0,0]=2 770 B9R1.148 CC1(CCNCCO1)C Z3033662169 [0,1,0,0,0,1|2,0,0]=4 771 B9R1.148 CC1(CCNCCS1)C Z1681349216 [0,1,0,0,0,1|2,0,0]=4 772 B9R1.148 CC1(CNCCCO1)C Z1269638431 [0,1,0,0,0,1|2,0,0]=4 773 B9R1.148 CC1(CNCCNC1)O Z3606270690 [0,1,0,0,0,1|1,0,0]=3 774 B9R1.148 CC1(CNCCOC1)C Z2310678918 [0,1,0,0,0,1|2,0,0]=4 775 B9R1.148 CC1(CNCCOC1)O Z1999520497 [0,1,0,0,0,1|1,0,0]=3 776 B9R1.148 FC1(CNCCNC1)F Z3071128834 [0,1,0,0,0,1|2,0,0]=4 777 B9R1.148 FC1(CNCCSC1)F Z4358372440 [0,1,0,0,0,1|2,0,0]=4 778 B9R1.148 N=S1(=O)CCCCCC1 Z3307350620 [0,1,0,0,0,1|1,0,1]=4 779 B9R1.148 O=S1(=O)CCCNCC1 Z1165168006 [0,1,0,0,0,1|1,0,1]=4 780 B9R1.1 C#CC1CCN(CC1)C Z3301768750 [0,2,0,0,0,0|2,0,0]=4 781 B9R1.1 C=C1CCC(CC1)CN Z2889982961 [0,2,0,0,0,0|1,0,1]=4 782 B9R1.1 CC1CCC(=NO)CC1 Z49568435 [0,2,0,0,0,0|0,0,1]=3 783 B9R1.1 CC1CCC(CC1)C#N Z415654864 [0,2,0,0,0,0|1,0,0]=3 784 B9R1.1 CC1CCC(CC1)C=O Z1250055138 [0,2,0,0,0,0|0,0,1]=3 785 B9R1.1 CC1CCC(CC1)NN Z927192058 [0,2,0,0,0,0|1,0,0]=3 786 B9R1.1 CC1CCC(NC1)CN Z3492445324 [0,2,0,0,0,0|2,0,0]=4 787 B9R1.1 CC1COC(CN1)CO Z1430538108 [0,2,0,0,0,0|2,0,0]=4 788 B9R1.1 CCC1CCC(=O)CC1 Z104475572 [0,2,0,0,0,0|0,0,2]=4 789 B9R1.1 CCN1CCC(CC1)N Z96092729 [0,2,0,0,0,0|2,0,0]=4 790 B9R1.1 CCN1CCC(CC1)O Z197264618 [0,2,0,0,0,0|1,0,0]=3 791 B9R1.1 CC[C@@H]1CC[C@H](NC1)C Z3337244239 [0,2,0,0,0,0|2,0,0]=4 792 B9R1.1 CC[C@H]1CC[C@@H](CC1)N Z2205958759 [0,2,0,0,0,0|1,0,0]=3 793 B9R1.1 CN1CCC(=NO)CC1 Z119992494 [0,2,0,0,0,0|1,0,1]=4 794 B9R1.1 CN1CCC(CC1)C=O Z372839344 [0,2,0,0,0,0|1,0,1]=4 795 B9R1.1 CN1CCC(CC1)CO Z594219182 [0,2,0,0,0,0|1,0,0]=3 796 B9R1.1 CNC1CCC(CC1)O Z138503904 [0,2,0,0,0,0|0,0,0]=2 797 B9R1.1 CNC1CCN(CC1)C Z102766804 [0,2,0,0,0,0|2,0,0]=4 798 B9R1.1 CNC1CCS(=O)CC1 Z1259162055 [0,2,0,0,0,0|1,0,1]=4 799 B9R1.1 CN[C@H]1CC[C@H](CC1)O Z3241259883 [0,2,0,0,0,0|0,0,0]=2 800 B9R1.1 COC1CCC(CC1)N Z2284394857 [0,2,0,0,0,0|0,0,0]=2 801 B9R1.1 COC1CCC(CC1)O Z904962746 [0,2,0,0,0,0|0,0,0]=2 802 B9R1.1 C[C@@H]1CC[C@H](OC1)CN Z3770977955 [0,2,0,0,0,0|2,0,0]=4 803 B9R1.1 C[C@H]1CC[C@@H](CC1)C=O Z1511765971 [0,2,0,0,0,0|0,0,1]=3 804 B9R1.1 N#CN1CCC(CC1)O Z1255400579 [0,2,0,0,0,0|1,0,0]=3 805 B9R1.1 N#C[C@H]1CC[C@@H](CC1)N Z1262687451 [0,2,0,0,0,0|1,0,0]=3 806 B9R1.1 N#C[C@H]1CC[C@H](CC1)N Z1486032476 [0,2,0,0,0,0|1,0,0]=3 807 B9R1.1 N[C@H]1CC[C@@H](CC1)CF Z3035094917 [0,2,0,0,0,0|1,0,0]=3 808 B9R1.1 N[C@H]1CC[C@@H](CC1)CO Z1203582309 [0,2,0,0,0,0|0,0,0]=2 809 B9R1.1 N[C@H]1CC[C@H](CC1)CO Z1203579954 [0,2,0,0,0,0|0,0,0]=2 810 B9R1.1 O=CC1CCC(=O)CC1 Z1198165293 [0,2,0,0,0,0|0,0,2]=4 811 B9R1.1 O=CC1CCC(CC1)F Z1813155376 [0,2,0,0,0,0|0,0,1]=3 812 B9R1.1 OCC1CCC(CC1)O Z1255451065 [0,2,0,0,0,0|0,0,0]=2 813 B9R1.2 C#CC1CCCN(C1)C Z3303704823 [0,2,0,0,0,0|2,0,0]=4 814 B9R1.2 C=C[C@@H]1CCC[C@H](C1)N Z3071811850 [0,2,0,0,0,0|1,0,0]=3 815 B9R1.2 CC1CC(CCO1)C#N Z1192344036 [0,2,0,0,0,0|2,0,0]=4 816 B9R1.2 CC1CC(CCO1)C=O Z1268606322 [0,2,0,0,0,0|1,0,1]=4 817 B9R1.2 CC1CC(CCO1)CO Z1268632086 [0,2,0,0,0,0|1,0,0]=3 818 B9R1.2 CC1CC(CCS1)CN Z3481572483 [0,2,0,0,0,0|2,0,0]=4 819 B9R1.2 CC1CCCC(C1)C#N Z415654834 [0,2,0,0,0,0|1,0,0]=3 820 B9R1.2 CC1CCCC(C1)C=O Z1217182161 [0,2,0,0,0,0|0,0,1]=3 821 B9R1.2 CC1CNCC(O1)CO Z1509113623 [0,2,0,0,0,0|2,0,0]=4 822 B9R1.2 CCC1CCCC(=O)C1 Z1201627363 [0,2,0,0,0,0|0,0,2]=4 823 B9R1.2 CCC1CCCC(C1)N Z1210580079 [0,2,0,0,0,0|1,0,0]=3 824 B9R1.2 CCC1CCCC(C1)O Z1192057272 [0,2,0,0,0,0|0,0,0]=2 825 B9R1.2 CCC1CNCC(C1)C Z5611307807 [0,2,0,0,0,0|2,0,0]=4 826 B9R1.2 CCN1CCCC(C1)N Z736883394 [0,2,0,0,0,0|2,0,0]=4 827 B9R1.2 CCN1CCCC(C1)O Z104478102 [0,2,0,0,0,0|1,0,0]=3 828 B9R1.2 CC[C@@H]1C[C@@H](CCO1)N Z2568676427 [0,2,0,0,0,0|2,0,0]=4 829 B9R1.2 CN1CCCC(C1)CCl Z1449592184 [0,2,0,0,0,0|2,0,0]=4 830 B9R1.2 CN1CCCC(C1)CO Z103740616 [0,2,0,0,0,0|1,0,0]=3 831 B9R1.2 CN1CCOC(C1)CO Z1255388024 [0,2,0,0,0,0|2,0,0]=4 832 B9R1.2 CNC1CCCC(C1)C Z367452444 [0,2,0,0,0,0|1,0,0]=3 833 B9R1.2 CNC1CCCC(C1)O Z3064472236 [0,2,0,0,0,0|0,0,0]=2 834 B9R1.2 CNC1CCOC(C1)C Z4657959047 [0,2,0,0,0,0|2,0,0]=4 835 B9R1.2 COC1CCCC(=O)N1 Z1203731823 [0,2,0,0,0,0|1,0,1]=4 836 B9R1.2 COC1CCCC(C1)N Z1192179498 [0,2,0,0,0,0|0,0,0]=2 837 B9R1.2 COC1CCCC(C1)O Z104476334 [0,2,0,0,0,0|0,0,0]=2 838 B9R1.2 COC1CCNC(C1)C Z1998636807 [0,2,0,0,0,0|1,0,0]=3 839 B9R1.2 CO[C@@H]1CCN[C@@H](C1)C Z2375645089 [0,2,0,0,0,0|1,0,0]=3 840 B9R1.2 CSC1CCCC(C1)N Z1219048788 [0,2,0,0,0,0|0,1,0]=3 841 B9R1.2 C[C@@H]1CCC[C@@H](N1)CN Z3617085231 [0,2,0,0,0,0|2,0,0]=4 842 B9R1.2 C[C@@H]1CCC[C@@H](N1)CO Z2738355370 [0,2,0,0,0,0|1,0,0]=3 843 B9R1.2 C[C@@H]1C[C@@H](CCN1)ON Z2379866757 [0,2,0,0,0,0|1,0,0]=3 844 B9R1.2 C[C@@H]1C[C@H](CCS1)CN Z3488455799 [0,2,0,0,0,0|2,0,0]=4 845 B9R1.2 C[C@H]1C[C@H](CCN1)CO Z2102741286 [0,2,0,0,0,0|1,0,0]=3 846 B9R1.2 N#CC1CCCC(=O)C1 Z907709920 [0,2,0,0,0,0|0,0,2]=4 847 B9R1.2 NCC1CCCC(C1)F Z2429425744 [0,2,0,0,0,0|1,0,0]=3 848 B9R1.2 NC[C@@H]1C[C@@H](CCO1)O Z3200658572 [0,2,0,0,0,0|1,0,0]=3 849 B9R1.2 O=C1CC(CCN1)CO Z1255502253 [0,2,0,0,0,0|1,0,1]=4 850 B9R1.2 O=C1CCCC(N1)CO Z1198313433 [0,2,0,0,0,0|1,0,1]=4 851 B9R1.2 O=CC1CCCC(C1)F Z1813182338 [0,2,0,0,0,0|0,0,1]=3 852 B9R1.6 CC(=O)C1CCCCN1 Z1954800414 [0,2,0,0,0,0|1,0,1]=4 853 B9R1.6 CC(=O)C1CCCOC1 Z1259153006 [0,2,0,0,0,0|1,0,1]=4 854 B9R1.6 CC(=O)C1CCNCC1 Z1741977299 [0,2,0,0,0,0|1,0,1]=4 855 B9R1.6 CC(=O)C1CCOCC1 Z1178490124 [0,2,0,0,0,0|1,0,1]=4 856 B9R1.6 CC(=O)[C@@H]1CCCCN1 Z1618016835 [0,2,0,0,0,0|1,0,1]=4 857 B9R1.6 CC(=O)[C@H]1CCCCN1 Z2234185612 [0,2,0,0,0,0|1,0,1]=4 858 B9R1.6 CC(C)C1CCCCN1 Z1269638432 [0,2,0,0,0,0|2,0,0]=4 859 B9R1.6 CC(C)C1CCCNC1 Z1201627016 [0,2,0,0,0,0|2,0,0]=4 860 B9R1.6 CC(C)C1CCNCC1 Z1262398542 [0,2,0,0,0,0|2,0,0]=4 861 B9R1.6 CC(N)C1CCCCC1 Z446020926 [0,2,0,0,0,0|1,0,0]=3 862 B9R1.6 CC(N)C1CCOCC1 Z1178490395 [0,2,0,0,0,0|2,0,0]=4 863 B9R1.6 CC(O)C1CCCCC1 Z445987098 [0,2,0,0,0,0|0,0,0]=2 864 B9R1.6 CC(O)C1CCCCN1 Z995042172 [0,2,0,0,0,0|1,0,0]=3 865 B9R1.6 CC(O)C1CCCNC1 Z431526982 [0,2,0,0,0,0|1,0,0]=3 866 B9R1.6 CC(O)C1CCNCC1 Z995042164 [0,2,0,0,0,0|1,0,0]=3 867 B9R1.6 CC(O)C1CCOCC1 Z1171215247 [0,2,0,0,0,0|1,0,0]=3 868 B9R1.6 CC(O)C1CNCCO1 Z1203734763 [0,2,0,0,0,0|2,0,0]=4 869 B9R1.6 CN(C)C1CCCNC1 Z415658510 [0,2,0,0,0,0|2,0,0]=4 870 B9R1.6 CN(C)C1CCNCC1 Z317268642 [0,2,0,0,0,0|2,0,0]=4 871 B9R1.6 C[C@@H](O)C1CCCCC1 Z959151676 [0,2,0,0,0,0|0,0,0]=2 872 B9R1.6 FC(F)C1CCCCN1 Z1222423573 [0,2,0,0,0,0|2,0,0]=4 873 B9R1.6 FC(F)C1CCCNC1 Z3036775855 [0,2,0,0,0,0|2,0,0]=4 874 B9R1.6 FC(F)C1CCNCC1 Z1436472853 [0,2,0,0,0,0|2,0,0]=4 875 B9R1.6 N=C(N)C1CCCCC1 Z317027412 [0,2,0,0,0,0|1,0,0]=3 876 B9R1.6 N=C(N)C1CCCCN1 Z1269145449 [0,2,0,0,0,0|2,0,0]=4 877 B9R1.6 N=C(N)C1CCCOC1 Z5597542232 [0,2,0,0,0,0|2,0,0]=4 878 B9R1.6 N=C(N)C1CCOCC1 Z1582263016 [0,2,0,0,0,0|2,0,0]=4 879 B9R1.6 N=C(N)N1CCCCC1 Z1582263025 [0,2,0,0,0,0|2,0,0]=4 880 B9R1.6 NC(=O)C1CCCCC1 Z33546516 [0,2,0,0,0,0|0,0,1]=3 881 B9R1.6 NC(=O)C1CCCCN1 Z90122010 [0,2,0,0,0,0|1,0,1]=4 882 B9R1.6 NC(=O)C1CCCNC1 Z85932258 [0,2,0,0,0,0|1,0,1]=4 883 B9R1.6 NC(=O)C1CCNCC1 Z1450533743 [0,2,0,0,0,0|1,0,1]=4 884 B9R1.6 NC(=O)C1CCOCC1 Z82670321 [0,2,0,0,0,0|1,0,1]=4 885 B9R1.6 NC(=O)N1CCCCC1 Z56917364 [0,2,0,0,0,0|1,0,1]=4 886 B9R1.6 NC(=S)N1CCCCC1 Z56899022 [0,2,0,0,0,0|1,1,0]=4 887 B9R1.6 O=C(O)C1C=CCCC1 Z57127330 [0,2,0,0,0,0|0,0,2]=4 888 B9R1.6 O=C(O)C1CC=CCC1 Z57921336 [0,2,0,0,0,0|0,0,2]=4 889 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [0,2,0,0,0,0|0,0,0]=2 890 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [0,2,0,0,0,0|1,0,0]=3 891 B9R1.6 O=C(O)C1CCCCO1 Z963633098 [0,2,0,0,0,0|1,0,0]=3 892 B9R1.6 O=C(O)C1CCCNC1 Z324553206 [0,2,0,0,0,0|1,0,0]=3 893 B9R1.6 O=C(O)C1CCCOC1 Z445214062 [0,2,0,0,0,0|1,0,0]=3 894 B9R1.6 O=C(O)C1CCCSC1 Z1198485079 [0,2,0,0,0,0|1,0,0]=3 895 B9R1.6 O=C(O)C1CCCSS1 Z1262517456 [0,2,0,0,0,0|2,0,0]=4 896 B9R1.6 O=C(O)C1CCNCC1 Z104474390 [0,2,0,0,0,0|1,0,0]=3 897 B9R1.6 O=C(O)C1CCOCC1 Z85923421 [0,2,0,0,0,0|1,0,0]=3 898 B9R1.6 O=C(O)C1CCSCC1 Z826531634 [0,2,0,0,0,0|1,0,0]=3 899 B9R1.6 O=C(O)C1CCSCN1 Z1235963996 [0,2,0,0,0,0|2,0,0]=4 900 B9R1.6 O=C(O)C1CNCCN1 Z1273089259 [0,2,0,0,0,0|2,0,0]=4 901 B9R1.6 O=C(O)C1COCCN1 Z1255387606 [0,2,0,0,0,0|2,0,0]=4 902 B9R1.6 O=C(O)C1COCCO1 Z362763682 [0,2,0,0,0,0|2,0,0]=4 903 B9R1.6 O=C(O)C1CSCCS1 Z147642878 [0,2,0,0,0,0|2,0,0]=4 904 B9R1.6 O=C(O)C1SCCCS1 Z275241266 [0,2,0,0,0,0|2,0,0]=4 905 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [0,2,0,0,0,0|1,0,0]=3 906 B9R1.6 OB(O)C1CCCCC1 Z56789446 [0,2,0,0,0,0|0,0,0]=2 907 B9R1.8 C#CCC1CCCCN1 Z3036653487 [0,2,0,0,0,0|2,0,0]=4 908 B9R1.8 C#CCC1CCCNC1 Z2379866313 [0,2,0,0,0,0|2,0,0]=4 909 B9R1.8 C#CCC1CCNCC1 Z3048841829 [0,2,0,0,0,0|2,0,0]=4 910 B9R1.8 C#CCN1CCCCC1 Z103698760 [0,2,0,0,0,0|2,0,0]=4 911 B9R1.8 C=CCC1CCCCN1 Z3976272491 [0,2,0,0,0,0|2,0,0]=4 912 B9R1.8 CCCC1CCCCN1 Z1665033554 [0,2,0,0,0,0|2,0,0]=4 913 B9R1.8 CCCC1CCCNC1 Z1404660494 [0,2,0,0,0,0|2,0,0]=4 914 B9R1.8 CCCC1CCNCC1 Z963408928 [0,2,0,0,0,0|2,0,0]=4 915 B9R1.8 CCNC1CCCCC1 Z235346963 [0,2,0,0,0,0|1,0,0]=3 916 B9R1.8 CCNC1CCCOC1 Z2432621390 [0,2,0,0,0,0|2,0,0]=4 917 B9R1.8 CCOC1CCCNC1 Z334959362 [0,2,0,0,0,0|1,0,0]=3 918 B9R1.8 CCOC1CCNCC1 Z274503162 [0,2,0,0,0,0|1,0,0]=3 919 B9R1.8 CNCC1CCCCC1 Z102767074 [0,2,0,0,0,0|1,0,0]=3 920 B9R1.8 CNCC1CCNCC1 Z3302817319 [0,2,0,0,0,0|2,0,0]=4 921 B9R1.8 COCC1CCCCN1 Z2238934630 [0,2,0,0,0,0|1,0,0]=3 922 B9R1.8 COCC1CCCNC1 Z317037142 [0,2,0,0,0,0|1,0,0]=3 923 B9R1.8 COCC1CCNCC1 Z1267773745 [0,2,0,0,0,0|1,0,0]=3 924 B9R1.8 COCC1CNCCO1 Z1171972187 [0,2,0,0,0,0|2,0,0]=4 925 B9R1.8 ClCCN1CCCCC1 Z235354563 [0,2,0,0,0,0|2,0,0]=4 926 B9R1.8 N#CCC1CCCCC1 Z295382924 [0,2,0,0,0,0|1,0,0]=3 927 B9R1.8 N#CCC1CCCNC1 Z2507870625 [0,2,0,0,0,0|2,0,0]=4 928 B9R1.8 N#CCC1CCNCC1 Z1642389481 [0,2,0,0,0,0|2,0,0]=4 929 B9R1.8 N#CCC1CCOCC1 Z979763954 [0,2,0,0,0,0|2,0,0]=4 930 B9R1.8 N#CCN1CCCCC1 Z169223032 [0,2,0,0,0,0|2,0,0]=4 931 B9R1.8 NCCC1CCCCC1 Z367451182 [0,2,0,0,0,0|1,0,0]=3 932 B9R1.8 NCCC1CCCCO1 Z432420620 [0,2,0,0,0,0|2,0,0]=4 933 B9R1.8 NCCC1CCNCC1 Z756921054 [0,2,0,0,0,0|2,0,0]=4 934 B9R1.8 NCCC1CCOCC1 Z851015130 [0,2,0,0,0,0|2,0,0]=4 935 B9R1.8 NCCC1CCSCC1 Z2768149804 [0,2,0,0,0,0|2,0,0]=4 936 B9R1.8 O=C=NC1CCOCC1 Z1037339760 [0,2,0,0,0,0|1,0,1]=4 937 B9R1.8 O=CC=C1CCCCC1 Z1251356876 [0,2,0,0,0,0|0,0,2]=4 938 B9R1.8 O=CCC1CCCCC1 Z993017728 [0,2,0,0,0,0|0,0,1]=3 939 B9R1.8 O=CCC1CCCCO1 Z1511748073 [0,2,0,0,0,0|1,0,1]=4 940 B9R1.8 O=CCC1CCCOC1 Z1198309923 [0,2,0,0,0,0|1,0,1]=4 941 B9R1.8 O=CCC1CCOCC1 Z1178491139 [0,2,0,0,0,0|1,0,1]=4 942 B9R1.8 OCCC1CCCCC1 Z397587116 [0,2,0,0,0,0|0,0,0]=2 943 B9R1.8 OCCC1CCCCO1 Z1198184633 [0,2,0,0,0,0|1,0,0]=3 944 B9R1.8 OCCC1CCCNC1 Z1263820461 [0,2,0,0,0,0|1,0,0]=3 945 B9R1.8 OCCC1CCCOC1 Z1198309922 [0,2,0,0,0,0|1,0,0]=3 946 B9R1.8 OCCC1CCNCC1 Z336087886 [0,2,0,0,0,0|1,0,0]=3 947 B9R1.8 OCCC1CCOCC1 Z1178491138 [0,2,0,0,0,0|1,0,0]=3 948 B9R1.8 OCCC1CSCCN1 Z1375026565 [0,2,0,0,0,0|2,0,0]=4 949 B9R1.8 OCCN1CCCCC1 Z104479032 [0,2,0,0,0,0|1,0,0]=3 950 B9R1.8 OCCN1CCNCC1 Z104477190 [0,2,0,0,0,0|2,0,0]=4 951 B9R1.8 OCCN1CCOCC1 Z104474266 [0,2,0,0,0,0|2,0,0]=4 952 B9R1.8 OCCN1CCSCC1 Z425793720 [0,2,0,0,0,0|2,0,0]=4 953 B9R1.15 C#CC1CCCCC1O Z1725997828 [0,2,0,0,0,0|0,0,0]=2 954 B9R1.15 CC1CC=CCC1CO Z104479344 [0,2,0,0,0,0|0,0,2]=4 955 B9R1.15 CC1CCCCC1C#N Z415654838 [0,2,0,0,0,0|1,0,0]=3 956 B9R1.15 CC1CCCCC1C=O Z1268606365 [0,2,0,0,0,0|0,0,1]=3 957 B9R1.15 CC1CCCCC1CN Z415655074 [0,2,0,0,0,0|1,0,0]=3 958 B9R1.15 CC1COCCC1C#N Z1638513443 [0,2,0,0,0,0|2,0,0]=4 959 B9R1.15 CC1COCCC1CN Z1255367314 [0,2,0,0,0,0|2,0,0]=4 960 B9R1.15 CCC1CCCCC1N Z368844574 [0,2,0,0,0,0|1,0,0]=3 961 B9R1.15 CCC1CCCCC1O Z104476198 [0,2,0,0,0,0|0,0,0]=2 962 B9R1.15 CN1CCNCC1CO Z2738358229 [0,2,0,0,0,0|2,0,0]=4 963 B9R1.15 CNC1CCCCC1C Z324553050 [0,2,0,0,0,0|1,0,0]=3 964 B9R1.15 CNC1CCOCC1C Z4641453836 [0,2,0,0,0,0|2,0,0]=4 965 B9R1.15 COC1CCCCC1N Z285187676 [0,2,0,0,0,0|0,0,0]=2 966 B9R1.15 COC1CCCCC1O Z425453594 [0,2,0,0,0,0|0,0,0]=2 967 B9R1.15 COC1CCNCC1C Z2235681426 [0,2,0,0,0,0|1,0,0]=3 968 B9R1.15 COC1CNCCC1C Z1778561134 [0,2,0,0,0,0|1,0,0]=3 969 B9R1.15 CO[C@@H]1CCCC[C@@H]1N Z4658510162 [0,2,0,0,0,0|0,0,0]=2 970 B9R1.15 CO[C@@H]1CCCC[C@H]1O Z3344357599 [0,2,0,0,0,0|0,0,0]=2 971 B9R1.15 CO[C@@H]1CCCN[C@@H]1C Z3379439443 [0,2,0,0,0,0|1,0,0]=3 972 B9R1.15 CO[C@@H]1CCOC[C@H]1N Z2309916425 [0,2,0,0,0,0|1,0,0]=3 973 B9R1.15 CSC1CCCCC1=O Z732208578 [0,2,0,0,0,0|0,0,2]=4 974 B9R1.15 CS[C@H]1CCCC[C@@H]1N Z2182116696 [0,2,0,0,0,0|0,1,0]=3 975 B9R1.15 C[C@@H]1CCCN[C@@H]1CO Z2737203189 [0,2,0,0,0,0|1,0,0]=3 976 B9R1.15 C[C@@H]1NCCC[C@@H]1CO Z5613103409 [0,2,0,0,0,0|1,0,0]=3 977 B9R1.15 N#CC1CCCCC1=O Z1137167009 [0,2,0,0,0,0|0,0,2]=4 978 B9R1.15 NCC1CCCCC1O Z409444222 [0,2,0,0,0,0|0,0,0]=2 979 B9R1.15 NC[C@@H]1CCCC[C@@H]1O Z2306746656 [0,2,0,0,0,0|0,0,0]=2 980 B9R1.15 O=C1NCCCC1CO Z1203732010 [0,2,0,0,0,0|1,0,1]=4 981 B9R1.15 O=CC1CCCCC1F Z1813140630 [0,2,0,0,0,0|0,0,1]=3 982 B9R1.15 OCC1CCCCC1O Z1198163949 [0,2,0,0,0,0|0,0,0]=2 983 B9R1.118 C#CC1(CCCNC1)O Z2740389421 [0,2,0,0,0,0|1,0,0]=3 984 B9R1.118 C#CC1(CCNCC1)F Z5608185760 [0,2,0,0,0,0|2,0,0]=4 985 B9R1.118 C#CC1(CCNCC1)O Z2679940955 [0,2,0,0,0,0|1,0,0]=3 986 B9R1.118 C#CC1(CCOCC1)N Z4658148877 [0,2,0,0,0,0|2,0,0]=4 987 B9R1.118 C=CC1(CCOCC1)N Z3092386482 [0,2,0,0,0,0|2,0,0]=4 988 B9R1.118 CC1(CCCCC1)C#N Z1255495336 [0,2,0,0,0,0|1,0,0]=3 989 B9R1.118 CC1(CCCCC1)C=O Z1198343650 [0,2,0,0,0,0|0,0,1]=3 990 B9R1.118 CC1(CCCCC1)CN Z1413780464 [0,2,0,0,0,0|1,0,0]=3 991 B9R1.118 CC1(CCCCC1)CO Z1201620047 [0,2,0,0,0,0|0,0,0]=2 992 B9R1.118 CC1(CCCCN1)CO Z1255397122 [0,2,0,0,0,0|1,0,0]=3 993 B9R1.118 CC1(CCCCO1)C=O Z2178581866 [0,2,0,0,0,0|1,0,1]=4 994 B9R1.118 CC1(CCCNC1)C#N Z1255396423 [0,2,0,0,0,0|2,0,0]=4 995 B9R1.118 CC1(CCCNC1)CO Z1198184762 [0,2,0,0,0,0|1,0,0]=3 996 B9R1.118 CC1(CCNCC1)CO Z1683068092 [0,2,0,0,0,0|1,0,0]=3 997 B9R1.118 CC1(CCOCC1)C=O Z1255452107 [0,2,0,0,0,0|1,0,1]=4 998 B9R1.118 CC1(CCOCC1)CO Z1255447679 [0,2,0,0,0,0|1,0,0]=3 999 B9R1.118 CCC1(CCCCC1)N Z2235790648 [0,2,0,0,0,0|1,0,0]=3 1000 B9R1.118 CCC1(CCCCC1)O Z449370576 [0,2,0,0,0,0|0,0,0]=2 1001 B9R1.118 CCC1(CCCNC1)C Z1198369368 [0,2,0,0,0,0|2,0,0]=4 1002 B9R1.118 CCC1(CCNCC1)C Z979713968 [0,2,0,0,0,0|2,0,0]=4 1003 B9R1.118 CCC1(CCNCC1)O Z1267885912 [0,2,0,0,0,0|1,0,0]=3 1004 B9R1.118 CNC1(CCCCC1)C Z4646023133 [0,2,0,0,0,0|1,0,0]=3 1005 B9R1.118 CNC1(CCOCC1)C Z3813478225 [0,2,0,0,0,0|2,0,0]=4 1006 B9R1.118 COC1(CCCNC1)C Z1569788502 [0,2,0,0,0,0|1,0,0]=3 1007 B9R1.118 COC1(CCNCC1)C Z1203732561 [0,2,0,0,0,0|1,0,0]=3 1008 B9R1.118 N#CC1(CCCCC1)N Z56968513 [0,2,0,0,0,0|1,0,0]=3 1009 B9R1.118 N#CC1(CCNCC1)F Z2418537235 [0,2,0,0,0,0|2,0,0]=4 1010 B9R1.118 N#CC1(CCOCC1)N Z440604874 [0,2,0,0,0,0|2,0,0]=4 1011 B9R1.118 N#CC1(CCOCC1)O Z440604900 [0,2,0,0,0,0|1,0,0]=3 1012 B9R1.118 NC1(CCCCC1)CO Z2417556977 [0,2,0,0,0,0|0,0,0]=2 1013 B9R1.118 NC1(CCOCC1)CO Z234898275 [0,2,0,0,0,0|1,0,0]=3 1014 B9R1.118 NC1(CCSCC1)CO Z2256111066 [0,2,0,0,0,0|1,0,0]=3 1015 B9R1.118 NCC1(CCCCC1)Br Z1982417702 [0,2,0,0,0,0|1,0,0]=3 1016 B9R1.118 NCC1(CCCCC1)N Z235344715 [0,2,0,0,0,0|1,0,0]=3 1017 B9R1.118 NCC1(CCCCC1)O Z363991148 [0,2,0,0,0,0|0,0,0]=2 1018 B9R1.118 NCC1(CCCSC1)O Z4951242636 [0,2,0,0,0,0|1,0,0]=3 1019 B9R1.118 NCC1(CCNCC1)O Z778383858 [0,2,0,0,0,0|1,0,0]=3 1020 B9R1.118 NCC1(CCOCC1)F Z1216819322 [0,2,0,0,0,0|2,0,0]=4 1021 B9R1.118 NCC1(CCOCC1)N Z440604832 [0,2,0,0,0,0|2,0,0]=4 1022 B9R1.118 NCC1(CCSCC1)O Z803080496 [0,2,0,0,0,0|1,0,0]=3 1023 B9R1.118 O=CC1(CCCCC1)Br Z1255439614 [0,2,0,0,0,0|0,0,1]=3 1024 B9R1.118 O=CC1(CCCCC1)Cl Z1251357068 [0,2,0,0,0,0|0,0,1]=3 1025 B9R1.118 O=CC1(CCOCC1)Cl Z1511915339 [0,2,0,0,0,0|1,0,1]=4 1026 B9R1.118 OCC1(CCCNC1)O Z2284393168 [0,2,0,0,0,0|1,0,0]=3 1027 B9R1.118 OCC1(CCNCC1)F Z2941371989 [0,2,0,0,0,0|1,0,0]=3 1028 B9R1.118 OCC1(CCNCC1)O Z2522871031 [0,2,0,0,0,0|1,0,0]=3 1029 B9R1.118 OCC1(CCOCC1)O Z1537124723 [0,2,0,0,0,0|1,0,0]=3 1030 B9R1.10 CC1(CCC(=O)CC1)O Z1255440285 [0,2,0,0,0,0|0,0,1]=3 1031 B9R1.10 CC1(CCC(CC1)N)C Z1198179746 [0,2,0,0,0,0|1,0,0]=3 1032 B9R1.10 CC1(CCC(CC1)O)N Z3216195539 [0,2,0,0,0,0|0,0,0]=2 1033 B9R1.10 CC1(CCC(CC1)O)O Z1813153932 [0,2,0,0,0,0|0,0,0]=2 1034 B9R1.10 CC1(CCC(CN1)O)C Z3614373501 [0,2,0,0,0,0|1,0,0]=3 1035 B9R1.10 CC1CCC(CC1)(C)N Z1201055255 [0,2,0,0,0,0|1,0,0]=3 1036 B9R1.10 CC1CCC(CN1)(C)C Z3244598361 [0,2,0,0,0,0|2,0,0]=4 1037 B9R1.10 CN1CCC(CC1)(C)N Z1688198419 [0,2,0,0,0,0|2,0,0]=4 1038 B9R1.10 CN1CCC(CC1)(C)O Z600507484 [0,2,0,0,0,0|1,0,0]=3 1039 B9R1.10 C[C@@]1(CC[C@H](CC1)N)F Z3790481810 [0,2,0,0,0,0|1,0,0]=3 1040 B9R1.10 N=S1(=O)CCC(CC1)N Z4761632957 [0,2,0,0,0,0|1,0,1]=4 1041 B9R1.10 N=S1(=O)CCC(CC1)O Z4202670484 [0,2,0,0,0,0|1,0,0]=3 1042 B9R1.10 O=S1(=O)CCC(CC1)O Z501749164 [0,2,0,0,0,0|1,0,0]=3 1043 B9R1.10 O=S1(=O)CCN(CC1)O Z1198266896 [0,2,0,0,0,0|2,0,0]=4 1044 B9R1.10 OC1CCC(CC1)(F)F Z1198272328 [0,2,0,0,0,0|0,0,0]=2 1045 B9R1.69 CC1CC(CCC1O)N Z1203641685 [0,2,0,0,0,0|0,0,0]=2 1046 B9R1.69 CC1CC(CCN1C)N Z825754018 [0,2,0,0,0,0|2,0,0]=4 1047 B9R1.69 CC1CCC(=O)C(C1)C Z854046072 [0,2,0,0,0,0|0,0,2]=4 1048 B9R1.69 CC1CCC(C(=O)C1)C Z1238548176 [0,2,0,0,0,0|0,0,2]=4 1049 B9R1.69 CC1CCC(C(C1)C)N Z854046330 [0,2,0,0,0,0|1,0,0]=3 1050 B9R1.69 CC1CCC(C(C1)C)O Z854051758 [0,2,0,0,0,0|0,0,0]=2 1051 B9R1.69 CC1CCC(C(C1)O)C Z1201617039 [0,2,0,0,0,0|0,0,0]=2 1052 B9R1.69 CC1CCC(CC1C)O Z1201617040 [0,2,0,0,0,0|0,0,0]=2 1053 B9R1.69 CC1CN(CCC1N)C Z825754008 [0,2,0,0,0,0|2,0,0]=4 1054 B9R1.69 CC1CNC(C(C1)C)C Z1741798374 [0,2,0,0,0,0|2,0,0]=4 1055 B9R1.69 CN1CC(CCC1=O)O Z1504678538 [0,2,0,0,0,0|1,0,1]=4 1056 B9R1.69 NC1CC[C@H]([C@H](C1)O)O Z2936002015 [0,2,0,0,0,0|0,0,0]=2 1057 B9R1.3 CC1CCCC(=O)C1C Z1198319146 [0,2,0,0,0,0|0,0,2]=4 1058 B9R1.3 CC1CCCC(C1C)N Z104478930 [0,2,0,0,0,0|1,0,0]=3 1059 B9R1.3 CC1CCCC(C1N)C Z359419654 [0,2,0,0,0,0|1,0,0]=3 1060 B9R1.3 CC1CCCC(C1N)O Z1509035391 [0,2,0,0,0,0|0,0,0]=2 1061 B9R1.3 CC1CCCC(C1O)C Z335244846 [0,2,0,0,0,0|0,0,0]=2 1062 B9R1.3 CC1CNCC(C1O)C Z1509063911 [0,2,0,0,0,0|1,0,0]=3 1063 B9R1.3 NC1CCCN(C1=O)O Z1203581684 [0,2,0,0,0,0|1,0,1]=4 1064 B9R1.3 N[C@@H]1CCC[C@H]([C@H]1O)O Z4497061557 [0,2,0,0,0,0|0,0,0]=2 1065 B9R1.3 O[C@H]1CNC[C@H]([C@H]1O)O Z1203732389 [0,2,0,0,0,0|1,0,0]=3 1066 B9R1.34 CC1CC(CC(C1)N)C Z1203580437 [0,2,0,0,0,0|1,0,0]=3 1067 B9R1.34 CC1CC(CC(C1)O)C Z1147526321 [0,2,0,0,0,0|0,0,0]=2 1068 B9R1.34 CC1CC(CC(N1)C)O Z1198154849 [0,2,0,0,0,0|1,0,0]=3 1069 B9R1.34 CC1CC(CC(S1)C)N Z2740389323 [0,2,0,0,0,0|2,0,0]=4 1070 B9R1.34 C[C@H]1C[C@H](C[C@H](N1)C)C Z3050333410 [0,2,0,0,0,0|2,0,0]=4 1071 B9R1.34 N[C@@H]1C[C@@H](C[C@@H](C1)O)O Z4512858324 [0,2,0,0,0,0|0,0,0]=2 1072 B9R1.34 N[C@H]1C[C@H](C[C@H](C1)N)N Z4632759870 [0,2,0,0,0,0|1,0,0]=3 1073 B9R1.66 CC1(CC(CCN1)O)C Z3234810851 [0,2,0,0,0,0|1,0,0]=3 1074 B9R1.66 CC1(CC(CCO1)O)C Z1192342111 [0,2,0,0,0,0|1,0,0]=3 1075 B9R1.66 CC1(CC(CCS1)N)C Z2740389324 [0,2,0,0,0,0|2,0,0]=4 1076 B9R1.66 CC1(CCCC(C1)O)C Z1198148603 [0,2,0,0,0,0|0,0,0]=2 1077 B9R1.66 CC1(CNCC(C1)O)C Z2754447857 [0,2,0,0,0,0|1,0,0]=3 1078 B9R1.66 CC1CC(CCN1)(C)O Z1813192877 [0,2,0,0,0,0|1,0,0]=3 1079 B9R1.66 CC1CC(CCO1)(C)N Z2740753677 [0,2,0,0,0,0|2,0,0]=4 1080 B9R1.66 CC1CCCC(C1)(C)O Z449370622 [0,2,0,0,0,0|0,0,0]=2 1081 B9R1.66 CC1CCCC(N1)(C)C Z2939852869 [0,2,0,0,0,0|2,0,0]=4 1082 B9R1.66 NC1CCCC(C1)(F)F Z1443588486 [0,2,0,0,0,0|1,0,0]=3 1083 B9R1.66 NC1CCCS(=O)(=O)C1 Z1266933919 [0,2,0,0,0,0|1,0,1]=4 1084 B9R1.66 O=S1(=O)CCCC(C1)O Z1172097926 [0,2,0,0,0,0|1,0,0]=3 1085 B9R1.40 CC1(CCCCC1=O)C Z1238550479 [0,2,0,0,0,0|0,0,2]=4 1086 B9R1.40 CC1(CCCCC1N)C Z1203579141 [0,2,0,0,0,0|1,0,0]=3 1087 B9R1.40 CC1(CCCCC1O)C Z1350656299 [0,2,0,0,0,0|0,0,0]=2 1088 B9R1.40 CC1(CNCCC1O)C Z1198307024 [0,2,0,0,0,0|1,0,0]=3 1089 B9R1.40 CC1(NCCCC1O)C Z2733321182 [0,2,0,0,0,0|1,0,0]=3 1090 B9R1.40 CC1CCCCC1(C)O Z449370784 [0,2,0,0,0,0|0,0,0]=2 1091 B9R1.40 CC1CCNCC1(C)C Z1665098520 [0,2,0,0,0,0|2,0,0]=4 1092 B9R1.40 CC1CNCCC1(F)F Z2146515100 [0,2,0,0,0,0|2,0,0]=4 1093 B9R1.40 C[C@@H]1CCNC[C@]1(C)O Z2309893888 [0,2,0,0,0,0|1,0,0]=3 1094 B9R1.40 C[C@]1(CCNC[C@@H]1O)O Z4437808787 [0,2,0,0,0,0|1,0,0]=3 1095 B9R1.40 C[C@]1(CNCC[C@@H]1O)O Z3333750066 [0,2,0,0,0,0|1,0,0]=3 1096 B9R1.40 FC1CNCCC1(F)F Z1999525421 [0,2,0,0,0,0|2,0,0]=4 1097 B9R1.40 NC1CCCCC1(F)F Z1415893909 [0,2,0,0,0,0|1,0,0]=3 1098 B9R1.40 NC1COCCC1(F)F Z3244401912 [0,2,0,0,0,0|2,0,0]=4 1099 B9R1.40 OC1CCNCC1(F)F Z2513333566 [0,2,0,0,0,0|1,0,0]=3 1100 B9R1.40 OC1CNCCC1(F)F Z1962223535 [0,2,0,0,0,0|1,0,0]=3 1101 B7R1.5 CC1CC1CCN Z4888675966 [0,0,1,1,0,0|2,0,0]=4 1102 B7R1.5 CCC[C@@H]1C[C@H]1N Z2298098035 [0,0,1,1,0,0|2,0,0]=4 1103 B7R1.5 CNCC1CC1C Z3752925195 [0,0,1,1,0,0|2,0,0]=4 1104 B7R1.6 CCCC1CNC1 Z2310679174 [0,0,1,1,0,0|2,0,0]=4 1105 B7R1.6 CCNC1CCC1 Z2144245483 [0,0,1,1,0,0|2,0,0]=4 1106 B7R1.6 CNCC1CCC1 Z1692482598 [0,0,1,1,0,0|2,0,0]=4 1107 B7R1.6 COCC1CCN1 Z2213893372 [0,0,1,1,0,0|2,0,0]=4 1108 B7R1.6 NCCC1CCC1 Z1405445718 [0,0,1,1,0,0|2,0,0]=4 1109 B7R1.8 CN[C@@H]1CC[C@H]1O Z2678247023 [0,0,1,1,0,0|1,0,0]=3 1110 B7R1.8 CO[C@@H]1CC[C@H]1N Z2311224799 [0,0,1,1,0,0|2,0,0]=4 1111 B7R1.9 CC[C@@H]1C[C@H]1CN Z2235810238 [0,0,1,1,0,0|2,0,0]=4 1112 B7R1.9 ClC[C@H]1O[C@H]1CCl Z1205660922 [0,0,1,1,0,0|2,0,0]=4 1113 B7R1.10 CCC1CC(C1)N Z4130021870 [0,0,1,1,0,0|2,0,0]=4 1114 B7R1.11 C[C@H]1C([C@@H]1C)CN Z4165830246 [0,0,1,1,0,0|2,0,0]=4 1115 B7R1.21 CC1(CC1)CCO Z1813155991 [0,0,1,1,0,0|2,0,0]=4 1116 B7R1.21 CCCC1(CC1)N Z3072982019 [0,0,1,1,0,0|1,0,0]=3 1117 B7R1.21 CCCC1(CO1)C Z1020679916 [0,0,1,1,0,0|2,0,0]=4 1118 B7R1.21 CNCC1(CC1)F Z3243520361 [0,0,1,1,0,0|2,0,0]=4 1119 B7R1.21 CNCC1(CC1)N Z5185499776 [0,0,1,1,0,0|2,0,0]=4 1120 B7R1.21 COCC1(CC1)N Z2301519229 [0,0,1,1,0,0|2,0,0]=4 1121 B7R1.21 NC1(CC1)CCO Z2211231673 [0,0,1,1,0,0|2,0,0]=4 1122 B7R1.22 CC(CN)C1CC1 Z1259341042 [0,0,1,1,0,0|2,0,0]=4 1123 B7R1.22 CNC(C)C1CC1 Z270730248 [0,0,1,1,0,0|2,0,0]=4 1124 B7R1.22 NC(CO)C1CC1 Z1362754532 [0,0,1,1,0,0|2,0,0]=4 1125 B7R1.22 NCC(N)C1CC1 Z445154916 [0,0,1,1,0,0|2,0,0]=4 1126 B7R1.22 NCC(O)C1CC1 Z802856322 [0,0,1,1,0,0|1,0,0]=3 1127 B7R1.25 CC1(CCC1)CN Z1357823912 [0,0,1,1,0,0|2,0,0]=4 1128 B7R1.25 CCC1(CCC1)N Z1333043532 [0,0,1,1,0,0|1,0,0]=3 1129 B7R1.25 CNC1(CCC1)C Z1255443634 [0,0,1,1,0,0|2,0,0]=4 1130 B7R1.25 NC1(CCC1)CO Z1203581511 [0,0,1,1,0,0|2,0,0]=4 1131 B7R1.25 NCC1(CCC1)Cl Z4313035783 [0,0,1,1,0,0|2,0,0]=4 1132 B7R1.25 NCC1(CCC1)F Z1862011799 [0,0,1,1,0,0|2,0,0]=4 1133 B7R1.25 NCC1(CCC1)O Z419084774 [0,0,1,1,0,0|1,0,0]=3 1134 B7R1.25 OCC1(CCC1)O Z1537124745 [0,0,1,1,0,0|1,0,0]=3 1135 B7R1.7 C=CCCC1CO1 Z1255485443 [0,0,1,1,0,0|0,0,2]=4 1136 B7R1.7 CCCCC1CO1 Z1020679810 [0,0,1,1,0,0|0,0,0]=2 1137 B7R1.7 CCNCC1CC1 Z1692483163 [0,0,1,1,0,0|2,0,0]=4 1138 B7R1.7 CCOCC1CO1 Z271128258 [0,0,1,1,0,0|1,0,0]=3 1139 B7R1.7 CNCCC1CC1 Z1480642691 [0,0,1,1,0,0|2,0,0]=4 1140 B7R1.7 COCCC1CO1 Z1495386141 [0,0,1,1,0,0|1,0,0]=3 1141 B7R1.7 NCCCC1CC1 Z2465611603 [0,0,1,1,0,0|2,0,0]=4 1142 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,0,1,1,0,0|0,0,2]=4 1143 B7R1.12 CC(C)[C@@H]1C[C@H]1N Z2285053182 [0,0,1,1,0,0|2,0,0]=4 1144 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,0,1,1,0,0|1,0,1]=4 1145 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,0,1,1,0,0|1,0,1]=4 1146 B7R1.17 CC1(CCC1N)C Z1813195196 [0,0,1,1,0,0|2,0,0]=4 1147 B7R1.18 CC(O)C1CCC1 Z1198149695 [0,0,1,1,0,0|0,0,0]=2 1148 B7R1.18 O=C(O)C1CCC1 Z104472264 [0,0,1,1,0,0|1,0,1]=4 1149 B7R1.20 CC(=O)CC1CC1 Z1198160502 [0,0,1,1,0,0|0,0,2]=4 1150 B7R1.20 CC(C)CC1CO1 Z1020679872 [0,0,1,1,0,0|2,0,0]=4 1151 B7R1.20 O=C(O)CC1CC1 Z234893653 [0,0,1,1,0,0|1,0,1]=4 1152 B7R1.23 CC1(CC1CN)C Z1267773739 [0,0,1,1,0,0|2,0,0]=4 1153 B7R1.23 CC1(CC1CO)C Z1198310193 [0,0,1,1,0,0|2,0,0]=4 1154 B7R1.23 CNC1CC1(C)C Z1895742049 [0,0,1,1,0,0|2,0,0]=4 1155 B7R1.24 C1CCCNCC1 Z57127566 [0,0,1,1,0,0|1,0,0]=3 1156 B7R1.24 C1CCNOCC1 Z1824482753 [0,0,1,1,0,0|1,0,0]=3 1157 B7R1.24 C1CNCCOC1 Z359510198 [0,0,1,1,0,0|1,0,0]=3 1158 B7R1.24 C1CNCCSC1 Z1954803255 [0,0,1,1,0,0|1,1,0]=4 1159 B7R2.13 C1CC2CC2N1 Z1964347529 [1,0,0,1,0,0|1,0,0]=3 1160 B7R2.13 C1CC2OC2C1 Z255149904 [1,0,0,1,0,0|1,0,0]=3 1161 B7R2.13 C1NCC2C1C2 Z1270630267 [1,0,0,1,0,0|1,0,0]=3 1162 B7R2.11 C1NC2CC1C2 Z3074473459 [0,0,0,1,1,0|2,0,0]=4 1163 B9R2.6 CC12CCCCC1O2 Z1255380027 [0,0,0,1,0,1|1,0,0]=3 1164 B9R2.6 NC12CCCCC1C2 Z2694811356 [0,0,0,1,0,1|1,0,0]=3 1165 B9R2.6 N[C@@]12CCOC[C@@H]1C2 Z4379876205 [0,0,0,1,0,1|1,0,0]=3 1166 B9R2.7 CC1CC2C1CNC2 Z3035824168 [0,0,0,1,0,1|1,0,0]=3 1167 B9R2.7 NC1CC2C1CCC2 Z2866593007 [0,0,0,1,0,1|1,0,0]=3 1168 B9R2.7 N[C@@H]1C[C@H]2[C@@H]1COC2 Z2953725599 [0,0,0,1,0,1|1,0,0]=3 1169 B9R2.7 O=C1NC2C1CCC2 Z1250169685 [0,0,0,1,0,1|0,0,2]=4 1170 B9R2.7 O=C1N[C@H]2[C@@H]1CCC2 Z2307158154 [0,0,0,1,0,1|0,0,2]=4 1171 B9R2.7 O[C@@H]1C[C@@H]2[C@H]1CCN2 Z4343629833 [0,0,0,1,0,1|0,0,0]=2 1172 B9R2.7 O[C@@H]1C[C@H]2[C@@H]1CCN2 Z5042714030 [0,0,0,1,0,1|0,0,0]=2 1173 B9R2.14 C[C@]12CC[C@H]1CCN2 Z3409517740 [0,0,0,1,0,1|1,0,0]=3 1174 B9R2.14 N[C@]12CC[C@H]1CNC2 Z4989061547 [0,0,0,1,0,1|1,0,0]=3 1175 B9R2.20 O=C1NC[C@H]2[C@@H]1CC2 Z3445405198 [0,0,0,1,0,1|0,0,2]=4 1176 B9R2.21 O=C1CC2CC2CN1 Z2941655402 [0,0,0,1,0,1|0,0,2]=4 1177 B9R2.33 N[C@H]1C[C@@H]2CC[C@@H]2C1 Z4368396323 [0,0,0,1,0,1|1,0,0]=3 1178 B9R2.51 C1CCC2CC(C1)N2 Z5134646662 [0,0,0,1,0,1|1,0,0]=3 1179 B9R2.52 C1=CC2OC2CCC1 Z4464852999 [0,0,0,1,0,1|0,0,1]=3 1180 B9R2.52 C1CCC2CC2NC1 Z4496337315 [0,0,0,1,0,1|1,0,0]=3 1181 B9R2.52 C1CCC2OC2CC1 Z278165186 [0,0,0,1,0,1|0,0,0]=2 1182 B9R2.68 C1CC2CC(N1)CO2 Z3181698309 [0,0,0,1,0,1|2,0,0]=4 1183 B9R2.68 C1CC2CCC(C2)N1 Z3719007183 [0,0,0,1,0,1|1,0,0]=3 1184 B9R2.68 C1CC2CNCC1C2 Z1359881938 [0,0,0,1,0,1|1,0,0]=3 1185 B9R2.68 C1CC2CNCC1N2 Z1741980016 [0,0,0,1,0,1|1,0,0]=3 1186 B9R2.68 C1CC2CNCC1O2 Z1198181219 [0,0,0,1,0,1|0,0,0]=2 1187 B9R2.68 C1CC2COCC1N2 Z1203732330 [0,0,0,1,0,1|1,0,0]=3 1188 B9R2.68 C1CC2CSCC1N2 Z3013893876 [0,0,0,1,0,1|1,0,0]=3 1189 B9R2.68 C1CN2CCC(C2)N1 Z2234631228 [0,0,0,1,0,1|2,0,0]=4 1190 B9R2.68 C1NC2COCC1C2 Z4789051337 [0,0,0,1,0,1|2,0,0]=4 1191 B9R2.68 C1NC2CSCC1C2 Z5013438049 [0,0,0,1,0,1|2,0,0]=4 1192 B9R2.68 C1NCC2CC1CN2 Z3491361794 [0,0,0,1,0,1|2,0,0]=4 1193 B9R2.68 C1NCC2CC1CO2 Z1688198390 [0,0,0,1,0,1|2,0,0]=4 1194 B9R2.123 NC1C2C1CCCC2 Z1335657662 [0,0,0,1,0,1|1,0,0]=3 1195 B9R2.123 NC1C2C1COCC2 Z3053117649 [0,0,0,1,0,1|1,0,0]=3 1196 B9R2.24 O[C@@H]1[C@@H]2CO[C@H]1CN2 Z3379722157 [0,1,0,1,0,0|2,0,0]=4 1197 B9R2.47 N#C[C@@H]1C[C@@H]2O[C@@H]2C1 Z3681332314 [0,1,0,1,0,0|2,0,0]=4 1198 B9R2.47 O=CC1CC2CC2C1 Z1407035097 [0,1,0,1,0,0|0,0,1]=3 1199 B9R2.49 C1=CC2CCC1NO2 Z1255502641 [0,1,0,1,0,0|0,0,2]=4 1200 B9R2.49 C1CC2CCC1NN2 Z2301499854 [0,1,0,1,0,0|1,0,0]=3 1201 B9R2.49 C1CC2CCC1NO2 Z2712744350 [0,1,0,1,0,0|0,0,0]=2 1202 B9R2.49 C1CC2CNC1CN2 Z2301438463 [0,1,0,1,0,0|2,0,0]=4 1203 B9R2.50 C1CC[C@H]2NC[C@H]2C1 Z2309997705 [0,1,0,1,0,0|1,0,0]=3 1204 B9R2.50 C1CN[C@H]2CC[C@H]2C1 Z3072437860 [0,1,0,1,0,0|2,0,0]=4 1205 B9R2.53 OC1C2CNCC1C2 Z1020801268 [0,1,0,1,0,0|1,0,0]=3 1206 B9R2.56 CC[C@@]12CNC[C@@H]1C2 Z3670752320 [0,1,0,1,0,0|2,0,0]=4 1207 B9R2.56 NC[C@@]12CCC[C@@H]1C2 Z2896171841 [0,1,0,1,0,0|1,0,0]=3 1208 B9R2.56 O=C[C@@]12CCC[C@@H]1C2 Z2900769719 [0,1,0,1,0,0|0,0,1]=3 1209 B9R2.65 C#C[C@H]1[C@H]2[C@@H]1CNC2 Z4950238944 [0,1,0,1,0,0|2,0,0]=4 1210 B9R2.65 NCC1C2C1CCC2 Z3676755604 [0,1,0,1,0,0|1,0,0]=3 1211 B9R2.65 O=CC1C2C1CCC2 Z1464130480 [0,1,0,1,0,0|0,0,1]=3 1212 B9R2.65 O=CC1C2C1COC2 Z1511806975 [0,1,0,1,0,0|1,0,1]=4 1213 B9R2.65 O=C[C@@H]1[C@@H]2[C@H]1COC2 Z1511809905 [0,1,0,1,0,0|1,0,1]=4 1214 B9R2.65 OC[C@@H]1[C@@H]2[C@H]1CNC2 Z362759288 [0,1,0,1,0,0|1,0,0]=3 1215 B9R2.174 C1CC2(CCO1)CO2 Z1020679958 [0,1,0,1,0,0|1,0,0]=3 1216 B9R2.174 C1CC2(CCS1)CO2 Z1198313574 [0,1,0,1,0,0|1,0,0]=3 1217 B9R2.174 C1CCC2(CC1)CO2 Z359231458 [0,1,0,1,0,0|0,0,0]=2 1218 B9R2.174 C1CCC2(CC2)NC1 Z3014016765 [0,1,0,1,0,0|2,0,0]=4 1219 B9R2.174 C1CNCC2(C1)CC2 Z1718490696 [0,1,0,1,0,0|2,0,0]=4 1220 B9R2.174 C1CNCC2(C1)N=N2 Z3327959483 [0,1,0,1,0,0|2,0,0]=4 1221 B9R2.174 C1COCC2(C1)CO2 Z1203154403 [0,1,0,1,0,0|1,0,0]=3 1222 B9R2.110 CC12CCC(N1)CC2 Z3212174238 [0,1,0,1,0,0|1,0,0]=3 1223 B9R2.110 NC12CCC(C1)CC2 Z1650039442 [0,1,0,1,0,0|1,0,0]=3 1224 B9R2.110 NC12CCC(C1)OC2 Z3444783709 [0,1,0,1,0,0|2,0,0]=4 1225 B9R2.110 NC12CCN(C1)CC2 Z2724010463 [0,1,0,1,0,0|2,0,0]=4 1226 B9R2.110 OC12CCN(C1)CC2 Z4459532026 [0,1,0,1,0,0|1,0,0]=3 1227 B9R2.8 CN1CC2CC(C1)N2 Z3013893659 [0,1,0,1,0,0|2,0,0]=4 1228 B9R2.39 NC1CC2C=CC1O2 Z1203653967 [0,1,0,1,0,0|0,0,2]=4 1229 B9R2.39 NC1CC2CCC1C2 Z1250132652 [0,1,0,1,0,0|1,0,0]=3 1230 B9R2.39 NC1CC2CCC1O2 Z1203586766 [0,1,0,1,0,0|0,0,0]=2 1231 B9R2.39 NC1CN2CCC1C2 Z3490555917 [0,1,0,1,0,0|2,0,0]=4 1232 B9R2.39 N[C@@H]1C[C@H]2CC[C@@H]1O2 Z2442099637 [0,1,0,1,0,0|0,0,0]=2 1233 B9R2.39 N[C@H]1CC2CCC1O2 Z1270498447 [0,1,0,1,0,0|0,0,0]=2 1234 B9R2.39 OC1CC2CCC1C2 Z104479470 [0,1,0,1,0,0|0,0,0]=2 1235 B9R2.39 OC1CC2CCC1O2 Z1255395449 [0,1,0,1,0,0|0,0,0]=2 1236 B9R2.39 OC1CN2CCC1C2 Z1270446274 [0,1,0,1,0,0|1,0,0]=3 1237 B9R2.39 O[C@@H]1C[C@H]2CN[C@@H]1C2 Z3288510014 [0,1,0,1,0,0|1,0,0]=3 1238 B9R2.96 FC12CNCC(C1)C2 Z3569469644 [0,1,0,1,0,0|2,0,0]=4 1239 B9R2.95 CC1(C2C1CNC2)C Z1262398535 [0,1,0,1,0,0|2,0,0]=4 1240 B9R2.95 FC1(C2C1CNC2)F Z1954802695 [0,1,0,1,0,0|2,0,0]=4 1241 B9R2.119 FC1(C[C@@H]2O[C@@H]2C1)F Z4130020036 [0,1,0,1,0,0|2,0,0]=4 1242 B9R2.120 FC1(CCC2C1O2)F Z3069798393 [0,1,0,1,0,0|2,0,0]=4 1243 B5R1.2 NC1CCC1 Z1266823158 [0,0,0,0,2,0|1,0,0]=3 1244 B5R1.2 NC1COC1 Z317054188 [0,0,0,0,2,0|2,0,0]=4 1245 B5R1.2 OC1CNC1 Z1012638850 [0,0,0,0,2,0|1,0,0]=3 1246 B5R1.2 OC1COC1 Z1123686553 [0,0,0,0,2,0|1,0,0]=3 1247 B9R1.50 CC1CCCCCCN1 Z3487835965 [0,0,0,0,0,2|1,0,0]=3 1248 B9R1.50 CN1CCCNCCC1 Z2310677612 [0,0,0,0,0,2|2,0,0]=4 1249 B9R1.50 NC1CCCCCCC1 Z104478188 [0,0,0,0,0,2|1,0,0]=3 1250 B9R1.50 O=C1CCCCCCC1 Z104474712 [0,0,0,0,0,2|0,0,2]=4 1251 B9R1.50 O=C1CCCCNCC1 Z5186715583 [0,0,0,0,0,2|0,0,2]=4 1252 B9R1.50 O=C1CCNCCCN1 Z1262578602 [0,0,0,0,0,2|0,0,2]=4 1253 B9R1.50 OC1CCCCCCC1 Z104472780 [0,0,0,0,0,2|0,0,0]=2