0 B7R1.3 C=C1CCNCC1 Z1124146875 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.3 CC1=CCCNC1 Z2143573194 [0,0,0,0,0,0|2,0,1]=3 2 B7R1.3 CC1CNCCN1 Z104480242 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.3 CC1CNCCO1 Z204013884 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.3 CC1CNCCS1 Z334686272 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.3 CC1COCCN1 Z336087928 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.3 CC1CSCCN1 Z334686282 [0,0,0,0,0,0|3,0,1]=4 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|2,0,1]=3 9 B7R1.3 C[C@H]1CNCCN1 Z1187834254 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.3 FC1=CCCNC1 Z1570657372 [0,0,0,0,0,0|2,0,1]=3 11 B7R1.3 FC1CCNCC1 Z1741960061 [0,0,0,0,0,0|2,0,1]=3 12 B7R1.3 NC1=NCCCC1 Z1723418848 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.3 NC1=NCCCN1 Z1259041088 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.3 NC1=NCCCS1 Z2211231389 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.3 NC1C=CCCC1 Z1203579654 [0,0,0,0,0,0|1,0,3]=4 16 B7R1.3 NC1CCCCC1 Z1945707495 [0,0,0,0,0,0|1,0,1]=2 17 B7R1.3 NC1CCCOC1 Z1013492300 [0,0,0,0,0,0|2,0,1]=3 18 B7R1.3 NC1CCCSC1 Z1029463244 [0,0,0,0,0,0|2,0,1]=3 19 B7R1.3 NC1CCOCC1 Z600428352 [0,0,0,0,0,0|2,0,1]=3 20 B7R1.3 NC1CCSCC1 Z992716928 [0,0,0,0,0,0|2,0,1]=3 21 B7R1.3 O=C1C=CCCC1 Z295197140 [0,0,0,0,0,0|0,0,2]=2 22 B7R1.3 O=C1C=CCCO1 Z1255402681 [0,0,0,0,0,0|1,0,2]=3 23 B7R1.3 O=C1CCCCC1 Z104474256 [0,0,0,0,0,0|0,0,0]=0 24 B7R1.3 O=C1CCCCN1 Z168817684 [0,0,0,0,0,0|1,0,0]=1 25 B7R1.3 O=C1CCCCO1 Z432085120 [0,0,0,0,0,0|1,0,0]=1 26 B7R1.3 O=C1CCCCS1 Z1726147018 [0,0,0,0,0,0|1,0,0]=1 27 B7R1.3 O=C1CCCNC1 Z3063726909 [0,0,0,0,0,0|1,0,0]=1 28 B7R1.3 O=C1CCCNN1 Z1416174508 [0,0,0,0,0,0|2,0,0]=2 29 B7R1.3 O=C1CCCSC1 Z979714552 [0,0,0,0,0,0|1,0,0]=1 30 B7R1.3 O=C1CCNCC1 Z1741959513 [0,0,0,0,0,0|1,0,0]=1 31 B7R1.3 O=C1CNCCN1 Z56968535 [0,0,0,0,0,0|2,0,0]=2 32 B7R1.3 O=C1CSCCN1 Z337709368 [0,0,0,0,0,0|2,0,0]=2 33 B7R1.3 O=C1CSCSC1 Z1251333166 [0,0,0,0,0,0|2,0,0]=2 34 B7R1.3 O=C1NCCCN1 Z1203730774 [0,0,0,0,0,0|2,0,0]=2 35 B7R1.3 O=C1NCCCO1 Z1198312172 [0,0,0,0,0,0|2,0,0]=2 36 B7R1.3 O=C1NCNCN1 Z1255437058 [0,0,0,0,0,0|3,0,0]=3 37 B7R1.3 O=C1NNCCO1 Z2732442016 [0,0,0,0,0,0|3,0,0]=3 38 B7R1.3 O=S1CCNCC1 Z1263714072 [0,0,0,0,0,0|2,0,0]=2 39 B7R1.3 OC1CCCCC1 Z104473498 [0,0,0,0,0,0|0,0,2]=2 40 B7R1.3 OC1CCCSC1 Z993818972 [0,0,0,0,0,0|1,0,2]=3 41 B7R1.3 OC1CCNCC1 Z56347197 [0,0,0,0,0,0|1,0,2]=3 42 B7R1.3 OC1CCOCC1 Z1359429523 [0,0,0,0,0,0|1,0,2]=3 43 B7R1.3 OC1CCONC1 Z3325124334 [0,0,0,0,0,0|2,0,2]=4 44 B7R1.3 OC1CNCCO1 Z1428160315 [0,0,0,0,0,0|2,0,2]=4 45 B7R1.3 OC1COCOC1 Z431564488 [0,0,0,0,0,0|2,0,2]=4 46 B7R1.3 S=C1NCNCN1 Z56756573 [0,0,0,0,0,0|3,1,0]=4 47 B6R1.1 C1=CCCCC1 Z104474726 [1,0,0,0,0,0|0,0,1]=2 48 B6R1.1 C1=CCNCC1 Z1623864216 [1,0,0,0,0,0|1,0,1]=3 49 B6R1.1 C1=CCONC1 Z1486018651 [1,0,0,0,0,0|2,0,1]=4 50 B6R1.1 C1=NCCCN1 Z1198163087 [1,0,0,0,0,0|2,0,0]=3 51 B6R1.1 C1CCONC1 Z1787355355 [1,0,0,0,0,0|2,0,0]=3 52 B6R1.1 C1CNCCN1 Z1245537944 [1,0,0,0,0,0|2,0,0]=3 53 B6R1.1 C1COCCN1 Z57127568 [1,0,0,0,0,0|2,0,0]=3 54 B6R1.1 C1CSCCN1 Z352252014 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.2 BrC=C1CCNCC1 Z4355559318 [0,1,0,0,0,0|2,0,0]=3 56 B8R1.2 BrCC1CCCCO1 Z104484248 [0,1,0,0,0,0|2,0,1]=4 57 B8R1.2 C#CC1CCCCC1 Z1255457380 [0,1,0,0,0,0|1,0,1]=3 58 B8R1.2 C#CC1CCCCN1 Z2940715353 [0,1,0,0,0,0|2,0,1]=4 59 B8R1.2 C#CC1CCCNC1 Z1741980183 [0,1,0,0,0,0|2,0,1]=4 60 B8R1.2 C#CC1CCNCC1 Z2418193722 [0,1,0,0,0,0|2,0,1]=4 61 B8R1.2 C=CC1CCCCN1 Z2142036752 [0,1,0,0,0,0|2,0,1]=4 62 B8R1.2 C=CC1CCCNC1 Z2740400893 [0,1,0,0,0,0|2,0,1]=4 63 B8R1.2 C=CC1CCNCC1 Z1266933822 [0,1,0,0,0,0|2,0,1]=4 64 B8R1.2 CCC1CCCCN1 Z839028612 [0,1,0,0,0,0|2,0,1]=4 65 B8R1.2 CCC1CCCNC1 Z381019246 [0,1,0,0,0,0|2,0,1]=4 66 B8R1.2 CCC1CCNCC1 Z1198394219 [0,1,0,0,0,0|2,0,1]=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|2,0,0]=3 69 B8R1.2 CNC1CCCSC1 Z1873867368 [0,1,0,0,0,0|2,0,1]=4 70 B8R1.2 CNC1CCNCC1 Z1511513954 [0,1,0,0,0,0|2,0,1]=4 71 B8R1.2 CNC1CCOCC1 Z440603550 [0,1,0,0,0,0|2,0,1]=4 72 B8R1.2 CNC1CCSCC1 Z3234882084 [0,1,0,0,0,0|2,0,1]=4 73 B8R1.2 COC1=NCCCC1 Z729471270 [0,1,0,0,0,0|1,0,1]=3 74 B8R1.2 COC1CCNCC1 Z169511496 [0,1,0,0,0,0|1,0,2]=4 75 B8R1.2 CSC1=NCCCN1 Z104341704 [0,1,0,0,0,0|2,1,0]=4 76 B8R1.2 CSC1CCNCC1 Z1201627011 [0,1,0,0,0,0|1,1,1]=4 77 B8R1.2 FCC1CCCNC1 Z2768770399 [0,1,0,0,0,0|2,0,1]=4 78 B8R1.2 N#CC1=COCCC1 Z1134174156 [0,1,0,0,0,0|2,0,1]=4 79 B8R1.2 N#CC1CCCCC1 Z210803886 [0,1,0,0,0,0|1,0,1]=3 80 B8R1.2 N#CC1CCCCN1 Z205012332 [0,1,0,0,0,0|2,0,1]=4 81 B8R1.2 N#CC1CCCCS1 Z1413800329 [0,1,0,0,0,0|2,0,1]=4 82 B8R1.2 N#CC1CCCNC1 Z1198184383 [0,1,0,0,0,0|2,0,1]=4 83 B8R1.2 N#CC1CCCOC1 Z1079179226 [0,1,0,0,0,0|2,0,1]=4 84 B8R1.2 N#CC1CCNCC1 Z969559998 [0,1,0,0,0,0|2,0,1]=4 85 B8R1.2 N#CC1CCOCC1 Z440605452 [0,1,0,0,0,0|2,0,1]=4 86 B8R1.2 N#CN1CCOCC1 Z1255457411 [0,1,0,0,0,0|3,0,0]=4 87 B8R1.2 NCC1=CCCCC1 Z2230911155 [0,1,0,0,0,0|1,0,1]=3 88 B8R1.2 NCC1=CCCOC1 Z2096659348 [0,1,0,0,0,0|2,0,1]=4 89 B8R1.2 NCC1=CCOCC1 Z2234185641 [0,1,0,0,0,0|2,0,1]=4 90 B8R1.2 NCC1=NCCCN1 Z994488026 [0,1,0,0,0,0|3,0,0]=4 91 B8R1.2 NCC1CCCCC1 Z235354645 [0,1,0,0,0,0|1,0,1]=3 92 B8R1.2 NCC1CCCCO1 Z839575544 [0,1,0,0,0,0|2,0,1]=4 93 B8R1.2 NCC1CCCCS1 Z1318217220 [0,1,0,0,0,0|2,0,1]=4 94 B8R1.2 NCC1CCOCC1 Z440605454 [0,1,0,0,0,0|2,0,1]=4 95 B8R1.2 NC[C@H]1CCCNC1 Z2686452674 [0,1,0,0,0,0|2,0,1]=4 96 B8R1.2 NOC1CCCCO1 Z968560364 [0,1,0,0,0,0|1,0,2]=4 97 B8R1.2 O=CC1=CCCCC1 Z1190318865 [0,1,0,0,0,0|0,0,1]=2 98 B8R1.2 O=CC1=CCCOC1 Z979787886 [0,1,0,0,0,0|1,0,1]=3 99 B8R1.2 O=CC1=CCCSC1 Z1255380334 [0,1,0,0,0,0|1,0,1]=3 100 B8R1.2 O=CC1=CCOCC1 Z1511760351 [0,1,0,0,0,0|1,0,1]=3 101 B8R1.2 O=CC1=COCCC1 Z432415080 [0,1,0,0,0,0|1,0,1]=3 102 B8R1.2 O=CC1=COCCO1 Z1198154290 [0,1,0,0,0,0|2,0,1]=4 103 B8R1.2 O=CC1CC=CCC1 Z57936862 [0,1,0,0,0,0|0,0,3]=4 104 B8R1.2 O=CC1CCCCC1 Z104478974 [0,1,0,0,0,0|0,0,1]=2 105 B8R1.2 O=CC1CCCCO1 Z1079442734 [0,1,0,0,0,0|1,0,1]=3 106 B8R1.2 O=CC1CCCOC1 Z1065877672 [0,1,0,0,0,0|1,0,1]=3 107 B8R1.2 O=CC1CCCSC1 Z1255489365 [0,1,0,0,0,0|1,0,1]=3 108 B8R1.2 O=CC1CCOCC1 Z979759508 [0,1,0,0,0,0|1,0,1]=3 109 B8R1.2 O=CC1CCSCC1 Z1201622265 [0,1,0,0,0,0|1,0,1]=3 110 B8R1.2 O=CN1CCCCC1 Z1255415437 [0,1,0,0,0,0|1,0,0]=2 111 B8R1.2 O=CN1CCNCC1 Z104479110 [0,1,0,0,0,0|2,0,0]=3 112 B8R1.2 O=CN1CCOCC1 Z295197308 [0,1,0,0,0,0|2,0,0]=3 113 B8R1.2 O=NN1CCCCC1 Z1198147906 [0,1,0,0,0,0|1,0,0]=2 114 B8R1.2 O=NN1CCNCC1 Z1198149478 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.2 O=NN1CCOCC1 Z1255360497 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.2 O=NN1CCSCC1 Z1198157610 [0,1,0,0,0,0|2,0,0]=3 117 B8R1.2 OCC1=CCNCC1 Z2310702179 [0,1,0,0,0,0|1,0,2]=4 118 B8R1.2 OCC1CCCCC1 Z104503428 [0,1,0,0,0,0|0,0,2]=3 119 B8R1.2 OCC1CCCCN1 Z104476610 [0,1,0,0,0,0|1,0,2]=4 120 B8R1.2 OCC1CCCCO1 Z104479808 [0,1,0,0,0,0|1,0,2]=4 121 B8R1.2 OCC1CCCNC1 Z104479614 [0,1,0,0,0,0|1,0,2]=4 122 B8R1.2 OCC1CCCOC1 Z445213352 [0,1,0,0,0,0|1,0,2]=4 123 B8R1.2 OCC1CCNCC1 Z380864362 [0,1,0,0,0,0|1,0,2]=4 124 B8R1.2 OCC1CCOCC1 Z979753218 [0,1,0,0,0,0|1,0,2]=4 125 B8R1.2 OCC1CCSCC1 Z1198266791 [0,1,0,0,0,0|1,0,2]=4 126 B8R1.2 OC[C@H]1CCCCN1 Z1203731003 [0,1,0,0,0,0|1,0,2]=4 127 B8R1.2 ON=C1CCCCC1 Z49568468 [0,1,0,0,0,0|0,0,1]=2 128 B8R1.2 [C-]#[N+]C1CCOCC1 Z1725967213 [0,1,0,0,0,0|2,0,1]=4 129 B8R1.3 CC1=CCC(CC1)N Z3857655203 [0,1,0,0,0,0|1,0,1]=3 130 B8R1.3 CC1=NNC(=O)CC1 Z49527484 [0,1,0,0,0,0|2,0,1]=4 131 B8R1.3 CC1CCC(=O)CC1 Z57073963 [0,1,0,0,0,0|0,0,0]=1 132 B8R1.3 CC1CCC(=O)NC1 Z969194082 [0,1,0,0,0,0|1,0,0]=2 133 B8R1.3 CC1CCC(CC1)O Z104476106 [0,1,0,0,0,0|0,0,2]=3 134 B8R1.3 CC1CCC(CN1)N Z3544167688 [0,1,0,0,0,0|2,0,1]=4 135 B8R1.3 CC1CCC(CN1)O Z2350906968 [0,1,0,0,0,0|1,0,2]=4 136 B8R1.3 CC1CCC(CO1)O Z1898581838 [0,1,0,0,0,0|1,0,2]=4 137 B8R1.3 CC1CN=C(NC1)N Z1203586632 [0,1,0,0,0,0|3,0,0]=4 138 B8R1.3 CN1CC=C(CC1)Br Z4896525382 [0,1,0,0,0,0|2,0,1]=4 139 B8R1.3 CN1CCC(CC1)N Z89283296 [0,1,0,0,0,0|2,0,0]=3 140 B8R1.3 C[C@@H]1CC[C@@H](CN1)O Z2309899176 [0,1,0,0,0,0|1,0,2]=4 141 B8R1.3 C[C@@H]1CC[C@H](CN1)O Z2327179252 [0,1,0,0,0,0|1,0,2]=4 142 B8R1.3 C[C@H]1CC[C@@H](CC1)N Z1150306734 [0,1,0,0,0,0|1,0,1]=3 143 B8R1.3 NC1CCC(=O)CC1 Z1198169628 [0,1,0,0,0,0|0,0,0]=1 144 B8R1.3 NC1CCC(=O)NC1 Z992717028 [0,1,0,0,0,0|1,0,0]=2 145 B8R1.3 NC1CCC(CC1)N Z104477550 [0,1,0,0,0,0|1,0,1]=3 146 B8R1.3 NC1CNC(=O)NC1 Z4926262838 [0,1,0,0,0,0|2,0,0]=3 147 B8R1.3 O=C1CCC(=O)CC1 Z877626718 [0,1,0,0,0,0|0,0,1]=2 148 B8R1.3 O=C1CCC(=O)NC1 Z1198221828 [0,1,0,0,0,0|1,0,1]=3 149 B8R1.3 O=C1CCS(=O)CC1 Z826531086 [0,1,0,0,0,0|1,0,0]=2 150 B8R1.3 O=C1CNC(=O)CN1 Z56854487 [0,1,0,0,0,0|2,0,1]=4 151 B8R1.3 O=C1COC(=O)CO1 Z1201618919 [0,1,0,0,0,0|2,0,1]=4 152 B8R1.3 O=C1NCC(CN1)O Z1198163621 [0,1,0,0,0,0|2,0,0]=3 153 B8R1.3 OC1CCC(CC1)O Z1178486717 [0,1,0,0,0,0|0,0,2]=3 154 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [0,1,0,0,0,0|0,0,2]=3 155 B8R1.4 CC1=CC(CCC1)N Z3895215954 [0,1,0,0,0,0|1,0,1]=3 156 B8R1.4 CC1=CC(CCC1)O Z1255423437 [0,1,0,0,0,0|1,0,1]=3 157 B8R1.4 CC1=CC(CNC1)C Z1966484556 [0,1,0,0,0,0|2,0,1]=4 158 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [0,1,0,0,0,0|1,0,0]=2 159 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [0,1,0,0,0,0|1,0,0]=2 160 B8R1.4 CC1CC(CCN1)N Z3950506166 [0,1,0,0,0,0|2,0,1]=4 161 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [0,1,0,0,0,0|1,0,2]=4 162 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,1,0,0,0,0|0,0,0]=1 163 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [0,1,0,0,0,0|1,0,0]=2 164 B8R1.4 CC1CCCC(C1)N Z367450918 [0,1,0,0,0,0|1,0,1]=3 165 B8R1.4 CC1CCCC(N1)C Z104474330 [0,1,0,0,0,0|2,0,1]=4 166 B8R1.4 CC1CCN=C(N1)N Z3512513301 [0,1,0,0,0,0|3,0,0]=4 167 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,1,0,0,0,0|1,0,0]=2 168 B8R1.4 CC1CN(CCN1)C Z1162470821 [0,1,0,0,0,0|3,0,0]=4 169 B8R1.4 CC1CNCC(=O)N1 Z1198172719 [0,1,0,0,0,0|2,0,0]=3 170 B8R1.4 CC1CNCC(C1)C Z104474332 [0,1,0,0,0,0|2,0,1]=4 171 B8R1.4 CC1CNCC(C1)O Z2255082098 [0,1,0,0,0,0|1,0,2]=4 172 B8R1.4 CC1CS(=O)CCN1 Z1227754708 [0,1,0,0,0,0|2,0,0]=3 173 B8R1.4 CN1CC(CCO1)O Z5948414894 [0,1,0,0,0,0|3,0,0]=4 174 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [0,1,0,0,0,0|1,0,0]=2 175 B8R1.4 CN1CCCC(C1)N Z600584196 [0,1,0,0,0,0|2,0,0]=3 176 B8R1.4 C[C@@H]1CCC[C@H](N1)C Z1925930354 [0,1,0,0,0,0|2,0,1]=4 177 B8R1.4 C[C@@H]1CCN[C@@H](C1)C Z2309899803 [0,1,0,0,0,0|2,0,1]=4 178 B8R1.4 C[C@@H]1CN(CCN1)C Z3379438692 [0,1,0,0,0,0|3,0,0]=4 179 B8R1.4 C[C@@H]1CNC[C@@H](C1)C Z2944520936 [0,1,0,0,0,0|2,0,1]=4 180 B8R1.4 C[C@@H]1CNC[C@@H](C1)O Z2301535259 [0,1,0,0,0,0|1,0,2]=4 181 B8R1.4 C[C@@H]1CNC[C@H](C1)O Z4073561603 [0,1,0,0,0,0|1,0,2]=4 182 B8R1.4 C[C@@H]1C[C@@H](CCN1)O Z2568671386 [0,1,0,0,0,0|1,0,2]=4 183 B8R1.4 C[C@@H]1C[C@H](CCO1)N Z4121905902 [0,1,0,0,0,0|2,0,1]=4 184 B8R1.4 C[C@H]1CCC[C@H](N1)C Z1203730759 [0,1,0,0,0,0|2,0,1]=4 185 B8R1.4 F[C@@H]1CNC[C@@H](C1)F Z4085231057 [0,1,0,0,0,0|2,0,1]=4 186 B8R1.4 NC1=CC(=O)CCC1 Z56899207 [0,1,0,0,0,0|0,0,2]=3 187 B8R1.4 NC1CCCC(C1)O Z2724335128 [0,1,0,0,0,0|0,0,2]=3 188 B8R1.4 NC1CNCC(C1)O Z4465943159 [0,1,0,0,0,0|1,0,2]=4 189 B8R1.4 N[C@@H]1CNC[C@@H](C1)N Z3175310488 [0,1,0,0,0,0|2,0,1]=4 190 B8R1.4 N[C@H]1CCC[C@H](C1)O Z1203578804 [0,1,0,0,0,0|0,0,2]=3 191 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,1,0,0,0,0|1,0,0]=2 192 B8R1.4 O=C1CCCC(=O)N1 Z424792856 [0,1,0,0,0,0|1,0,1]=3 193 B8R1.4 O=C1CCNC(=O)N1 Z57033885 [0,1,0,0,0,0|2,0,1]=4 194 B8R1.4 O=C1CCSC(=O)N1 Z56871611 [0,1,0,0,0,0|2,0,1]=4 195 B8R1.4 O=C1COCC(=O)N1 Z802811418 [0,1,0,0,0,0|2,0,1]=4 196 B8R1.4 O=C1COCC(=O)O1 Z85923414 [0,1,0,0,0,0|2,0,1]=4 197 B8R1.4 O=C1CSCC(=O)C1 Z1255373195 [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|1,0,2]=4 199 B8R1.4 O[C@@H]1CNC[C@@H](C1)O Z1310777672 [0,1,0,0,0,0|1,0,2]=4 200 B8R1.5 CC1=C(CCNC1)Br Z4428787505 [0,1,0,0,0,0|2,0,1]=4 201 B8R1.5 CC1=C(CNCC1)C Z1966489842 [0,1,0,0,0,0|2,0,1]=4 202 B8R1.5 CC1CCCCC1=O Z104477192 [0,1,0,0,0,0|0,0,0]=1 203 B8R1.5 CC1CCCCC1O Z104478402 [0,1,0,0,0,0|0,0,2]=3 204 B8R1.5 CC1CCCNC1=O Z1013766916 [0,1,0,0,0,0|1,0,0]=2 205 B8R1.5 CC1CCCNC1C Z959345762 [0,1,0,0,0,0|2,0,1]=4 206 B8R1.5 CC1CCNCC1N Z4351244628 [0,1,0,0,0,0|2,0,1]=4 207 B8R1.5 CC1CCOCC1N Z3035821495 [0,1,0,0,0,0|2,0,1]=4 208 B8R1.5 CC1CNCCC1=O Z1741969235 [0,1,0,0,0,0|1,0,0]=2 209 B8R1.5 CC1CNCCC1O Z1742055068 [0,1,0,0,0,0|1,0,2]=4 210 B8R1.5 CC1CNCCN1C Z2408371461 [0,1,0,0,0,0|3,0,0]=4 211 B8R1.5 CC1COCCC1=O Z1192338803 [0,1,0,0,0,0|1,0,0]=2 212 B8R1.5 CC1COCCC1N Z1868316869 [0,1,0,0,0,0|2,0,1]=4 213 B8R1.5 CC1COCCC1O Z1255390393 [0,1,0,0,0,0|1,0,2]=4 214 B8R1.5 CC1NCCCC1O Z2235409289 [0,1,0,0,0,0|1,0,2]=4 215 B8R1.5 CC1NCCNC1=O Z336079670 [0,1,0,0,0,0|2,0,0]=3 216 B8R1.5 CC1SCCCC1=O Z1359849054 [0,1,0,0,0,0|1,0,0]=2 217 B8R1.5 CC1SCCNC1=O Z1098219156 [0,1,0,0,0,0|2,0,0]=3 218 B8R1.5 CN1CCCN=C1N Z2865417319 [0,1,0,0,0,0|3,0,0]=4 219 B8R1.5 CN1CCNCC1=O Z1250100764 [0,1,0,0,0,0|2,0,0]=3 220 B8R1.5 CN1CNCNC1=O Z5130722475 [0,1,0,0,0,0|3,0,0]=4 221 B8R1.5 C[C@@H]1CCCC[C@H]1O Z1896168809 [0,1,0,0,0,0|0,0,2]=3 222 B8R1.5 C[C@@H]1CCNC[C@@H]1O Z2307368538 [0,1,0,0,0,0|1,0,2]=4 223 B8R1.5 C[C@@H]1NCCC[C@@H]1N Z5041247026 [0,1,0,0,0,0|2,0,1]=4 224 B8R1.5 C[C@@H]1NCCC[C@@H]1O Z2568757708 [0,1,0,0,0,0|1,0,2]=4 225 B8R1.5 C[C@H]1CCCC[C@@H]1O Z1255486326 [0,1,0,0,0,0|0,0,2]=3 226 B8R1.5 C[C@H]1CCCC[C@H]1N Z3244401660 [0,1,0,0,0,0|1,0,1]=3 227 B8R1.5 ClC1=C(CNCC1)Cl Z1572021773 [0,1,0,0,0,0|2,0,1]=4 228 B8R1.5 NC1CCCCC1=O Z2186882796 [0,1,0,0,0,0|0,0,0]=1 229 B8R1.5 NC1CCCCC1N Z104474510 [0,1,0,0,0,0|1,0,1]=3 230 B8R1.5 NC1CCCNC1=O Z993991168 [0,1,0,0,0,0|1,0,0]=2 231 B8R1.5 NC1CCOCC1O Z2688974552 [0,1,0,0,0,0|1,0,2]=4 232 B8R1.5 NN1CCCCC1=O Z976663668 [0,1,0,0,0,0|1,0,0]=2 233 B8R1.5 N[C@@H]1CCCC[C@@H]1F Z2724313717 [0,1,0,0,0,0|1,0,1]=3 234 B8R1.5 N[C@@H]1CCCC[C@@H]1O Z2235399143 [0,1,0,0,0,0|0,0,2]=3 235 B8R1.5 N[C@@H]1COCC[C@H]1N Z4745609917 [0,1,0,0,0,0|2,0,1]=4 236 B8R1.5 N[C@@H]1COCC[C@H]1O Z2309916421 [0,1,0,0,0,0|1,0,2]=4 237 B8R1.5 N[C@H]1CCCC[C@@H]1N Z1147137780 [0,1,0,0,0,0|1,0,1]=3 238 B8R1.5 N[C@H]1CCCC[C@H]1N Z1203577984 [0,1,0,0,0,0|1,0,1]=3 239 B8R1.5 O=C1CCCCC1=O Z90122041 [0,1,0,0,0,0|0,0,1]=2 240 B8R1.5 O=C1CCCCC1Cl Z94598693 [0,1,0,0,0,0|0,0,0]=1 241 B8R1.5 O=C1NCCCC1F Z1203749514 [0,1,0,0,0,0|1,0,0]=2 242 B8R1.5 OC1CCCCC1O Z600453486 [0,1,0,0,0,0|0,0,2]=3 243 B8R1.5 OC1CCNCC1F Z1416168950 [0,1,0,0,0,0|1,0,2]=4 244 B8R1.5 OC1NCCCC1F Z3995268169 [0,1,0,0,0,0|1,0,2]=4 245 B8R1.5 O[C@@H]1CCCC[C@H]1O Z2240998867 [0,1,0,0,0,0|0,0,2]=3 246 B8R1.5 O[C@@H]1CNCC[C@H]1F Z2307343627 [0,1,0,0,0,0|1,0,2]=4 247 B8R1.72 CC1(CCCCC1)N Z752370810 [0,1,0,0,0,0|1,0,1]=3 248 B8R1.72 CC1(CCCCC1)O Z449370586 [0,1,0,0,0,0|0,0,2]=3 249 B8R1.72 CC1(CCCCN1)C Z3243651326 [0,1,0,0,0,0|2,0,1]=4 250 B8R1.72 CC1(CCCNC1)C Z1182379631 [0,1,0,0,0,0|2,0,1]=4 251 B8R1.72 CC1(CCCOC1)N Z1582263087 [0,1,0,0,0,0|2,0,1]=4 252 B8R1.72 CC1(CCNCC1)C Z1198394222 [0,1,0,0,0,0|2,0,1]=4 253 B8R1.72 CC1(CCNCC1)F Z2738358281 [0,1,0,0,0,0|2,0,1]=4 254 B8R1.72 CC1(CCNCC1)O Z1416200885 [0,1,0,0,0,0|1,0,2]=4 255 B8R1.72 FC1(CCCNC1)F Z1203161889 [0,1,0,0,0,0|2,0,1]=4 256 B8R1.72 FC1(CCNCC1)F Z1741959990 [0,1,0,0,0,0|2,0,1]=4 257 B8R1.72 N=S1(=O)CCCCC1 Z2941529962 [0,1,0,0,0,0|1,0,0]=2 258 B8R1.72 N=S1(=O)CCNCC1 Z4658857975 [0,1,0,0,0,0|2,0,0]=3 259 B8R1.72 N=S1(=O)CCOCC1 Z1198235499 [0,1,0,0,0,0|2,0,0]=3 260 B8R1.72 O=S1(=O)CCCCN1 Z1201622708 [0,1,0,0,0,0|2,0,0]=3 261 B8R1.72 O=S1(=O)CCNCC1 Z1263529638 [0,1,0,0,0,0|2,0,0]=3 262 B8R1.72 O=S1(=O)CCNCN1 Z1198155417 [0,1,0,0,0,0|3,0,0]=4 263 B8R1.72 O=S1(=O)CCOCC1 Z992614860 [0,1,0,0,0,0|2,0,0]=3 264 B8R1.72 O=S1(=O)NCCCN1 Z1551944962 [0,1,0,0,0,0|3,0,0]=4 265 B6R0.1 C#CC(=O)OCC Z104478880 [0,0,1,0,0,0|1,0,2]=4 266 B6R0.1 C#CCC(=O)OC Z1198160347 [0,0,1,0,0,0|1,0,2]=4 267 B6R0.1 CCC(=O)COC Z825742020 [0,0,1,0,0,0|1,0,0]=2 268 B6R0.1 CCC(C)CNC Z1266854907 [0,0,1,0,0,0|2,0,1]=4 269 B6R0.1 CCC(N)CCO Z1258578227 [0,0,1,0,0,0|2,0,1]=4 270 B6R0.1 CCC(N)COC Z825742260 [0,0,1,0,0,0|2,0,1]=4 271 B6R0.1 CCC(O)CCN Z406342052 [0,0,1,0,0,0|1,0,2]=4 272 B6R0.1 CCC(O)CCO Z1198157972 [0,0,1,0,0,0|1,0,2]=4 273 B6R0.1 CCCC(=O)CN Z1203579017 [0,0,1,0,0,0|1,0,0]=2 274 B6R0.1 CCCC(=O)NO Z59181937 [0,0,1,0,0,0|2,0,0]=3 275 B6R0.1 CCCC(C)NC Z394693580 [0,0,1,0,0,0|2,0,1]=4 276 B6R0.1 CCCC(N)CC Z1642389626 [0,0,1,0,0,0|1,0,1]=3 277 B6R0.1 CCCC(N)CN Z425861040 [0,0,1,0,0,0|2,0,1]=4 278 B6R0.1 CCCC(O)CN Z419084742 [0,0,1,0,0,0|1,0,2]=4 279 B6R0.1 CCNC(=N)NC Z1357224692 [0,0,1,0,0,0|3,0,0]=4 280 B6R0.1 CCNC(=O)CN Z54747476 [0,0,1,0,0,0|2,0,0]=3 281 B6R0.1 CCNC(=O)CO Z431952024 [0,0,1,0,0,0|2,0,0]=3 282 B6R0.1 CCNC(C)CC Z2509351098 [0,0,1,0,0,0|2,0,1]=4 283 B6R0.1 CCOC(=N)CC Z3033961910 [0,0,1,0,0,0|2,0,0]=3 284 B6R0.1 CCOC(=O)CN Z594038186 [0,0,1,0,0,0|2,0,0]=3 285 B6R0.1 CCOC(=O)CO Z385458066 [0,0,1,0,0,0|2,0,0]=3 286 B6R0.1 CCOC(=O)NN Z104478458 [0,0,1,0,0,0|3,0,0]=4 287 B6R0.1 CCS(=O)CCN Z1266854910 [0,0,1,0,0,0|2,0,0]=3 288 B6R0.1 CNC(=O)CC#N Z56945997 [0,0,1,0,0,0|2,0,1]=4 289 B6R0.1 CNC(=O)CCCl Z239813512 [0,0,1,0,0,0|2,0,0]=3 290 B6R0.1 CNC(=O)CCN Z425449754 [0,0,1,0,0,0|2,0,0]=3 291 B6R0.1 CNC(=O)CCO Z975909370 [0,0,1,0,0,0|2,0,0]=3 292 B6R0.1 CNCC(=O)NC Z57981096 [0,0,1,0,0,0|2,0,0]=3 293 B6R0.1 CNCC(=O)OC Z89264972 [0,0,1,0,0,0|2,0,0]=3 294 B6R0.1 CONC(=O)CCl Z234816732 [0,0,1,0,0,0|3,0,0]=4 295 B6R0.4 C#CCCC(=O)O Z295890062 [0,0,1,0,0,0|1,0,2]=4 296 B6R0.4 C#CCNC(=O)C Z220957448 [0,0,1,0,0,0|1,0,2]=4 297 B6R0.4 C=CCCC(=O)C Z406376894 [0,0,1,0,0,0|0,0,2]=3 298 B6R0.4 C=CCCC(=O)O Z995028722 [0,0,1,0,0,0|1,0,2]=4 299 B6R0.4 C=CCNC(=O)C Z32064466 [0,0,1,0,0,0|1,0,2]=4 300 B6R0.4 CC(=O)CCC#N Z1251352415 [0,0,1,0,0,0|1,0,1]=3 301 B6R0.4 CC(=O)NCCCl Z57983106 [0,0,1,0,0,0|2,0,0]=3 302 B6R0.4 CC(=O)OCCN Z1973465551 [0,0,1,0,0,0|2,0,0]=3 303 B6R0.4 CC(C)CCCN Z992716898 [0,0,1,0,0,0|2,0,1]=4 304 B6R0.4 CC(N)CCCN Z2230911100 [0,0,1,0,0,0|2,0,1]=4 305 B6R0.4 CC(N)CCCO Z1203578676 [0,0,1,0,0,0|2,0,1]=4 306 B6R0.4 CC(O)CCCN Z1198178891 [0,0,1,0,0,0|1,0,2]=4 307 B6R0.4 CC/C=C/C(=O)O Z2311573931 [0,0,1,0,0,0|1,0,2]=4 308 B6R0.4 CCC#CC(=O)O Z1205493735 [0,0,1,0,0,0|1,0,2]=4 309 B6R0.4 CCCCB(O)O Z1147227739 [0,0,1,0,0,0|2,0,1]=4 310 B6R0.4 CCCCC(=N)N Z1723418909 [0,0,1,0,0,0|2,0,0]=3 311 B6R0.4 CCCCC(=O)N Z104476278 [0,0,1,0,0,0|1,0,0]=2 312 B6R0.4 CCCCC(=O)O Z104473312 [0,0,1,0,0,0|1,0,0]=2 313 B6R0.4 CCCCC(C)N Z3300506318 [0,0,1,0,0,0|1,0,1]=3 314 B6R0.4 CCCNC(=O)C Z33030314 [0,0,1,0,0,0|1,0,0]=2 315 B6R0.4 CCCNC(=S)N Z56930715 [0,0,1,0,0,0|2,1,0]=4 316 B6R0.4 CCCOC(=O)N Z1198148877 [0,0,1,0,0,0|2,0,0]=3 317 B6R0.4 CCNCC(=O)N Z1459435506 [0,0,1,0,0,0|2,0,0]=3 318 B6R0.4 CCNCC(=O)O Z744593094 [0,0,1,0,0,0|2,0,0]=3 319 B6R0.4 CCNCC(C)C Z380844664 [0,0,1,0,0,0|2,0,1]=4 320 B6R0.4 CCNCC(C)O Z138692768 [0,0,1,0,0,0|1,0,2]=4 321 B6R0.4 CCOCC(=O)O Z104495232 [0,0,1,0,0,0|2,0,0]=3 322 B6R0.4 CCOCC(C)N Z839575202 [0,0,1,0,0,0|2,0,1]=4 323 B6R0.4 CCSCC(C)N Z1203641186 [0,0,1,0,0,0|2,0,1]=4 324 B6R0.4 CNCCC(=O)C Z1536943318 [0,0,1,0,0,0|1,0,0]=2 325 B6R0.4 CNCCC(C)C Z607822512 [0,0,1,0,0,0|2,0,1]=4 326 B6R0.4 CNCCC(C)O Z1203731868 [0,0,1,0,0,0|1,0,2]=4 327 B6R0.4 CNCCN(C)C Z138123106 [0,0,1,0,0,0|3,0,0]=4 328 B6R0.4 COCCC(=N)N Z1592042674 [0,0,1,0,0,0|3,0,0]=4 329 B6R0.4 COCCC(=O)C Z362119682 [0,0,1,0,0,0|1,0,0]=2 330 B6R0.4 COCCC(=O)N Z394696458 [0,0,1,0,0,0|2,0,0]=3 331 B6R0.4 COCCC(=O)O Z285184634 [0,0,1,0,0,0|2,0,0]=3 332 B6R0.4 COCCC(C)N Z361881180 [0,0,1,0,0,0|2,0,1]=4 333 B6R0.4 COCCC(C)O Z818738042 [0,0,1,0,0,0|1,0,2]=4 334 B6R0.4 COCCN(C)C Z5121096537 [0,0,1,0,0,0|3,0,0]=4 335 B6R0.4 CSCCC(=N)N Z1266823407 [0,0,1,0,0,0|3,0,0]=4 336 B6R0.4 CSCCC(=O)O Z54719251 [0,0,1,0,0,0|2,0,0]=3 337 B6R0.4 N#CCCC(=O)N Z57160408 [0,0,1,0,0,0|2,0,1]=4 338 B6R0.4 NC(=O)CCCO Z1203578394 [0,0,1,0,0,0|2,0,0]=3 339 B6R0.4 NC(=O)NCCF Z1203582184 [0,0,1,0,0,0|3,0,0]=4 340 B6R0.4 NC(=O)OCCO Z1198158440 [0,0,1,0,0,0|3,0,0]=4 341 B6R0.4 NCCCC(=O)N Z398513418 [0,0,1,0,0,0|2,0,0]=3 342 B6R0.4 NCCCC(=O)O Z104475620 [0,0,1,0,0,0|2,0,0]=3 343 B6R0.4 NCCCS(=O)O Z1203579399 [0,0,1,0,0,0|3,0,0]=4 344 B6R0.4 NCCNC(=O)N Z1268152381 [0,0,1,0,0,0|3,0,0]=4 345 B6R0.4 NCCOC(=O)N Z1587257433 [0,0,1,0,0,0|3,0,0]=4 346 B6R0.4 O=C(O)CCCS Z147642510 [0,0,1,0,0,0|2,0,0]=3 347 B6R0.6 C#CCCCCN Z1431002697 [0,0,1,0,0,0|2,0,1]=4 348 B6R0.6 C#CCNCCC Z815264308 [0,0,1,0,0,0|2,0,1]=4 349 B6R0.6 C=CCCCCN Z1198160046 [0,0,1,0,0,0|2,0,0]=3 350 B6R0.6 C=CCNCCO Z137800938 [0,0,1,0,0,0|3,0,0]=4 351 B6R0.6 C=CCOCCN Z976678988 [0,0,1,0,0,0|3,0,0]=4 352 B6R0.6 C=CCSCCN Z1262237162 [0,0,1,0,0,0|3,0,0]=4 353 B6R0.6 CCCCCCO Z104473568 [0,0,1,0,0,0|0,0,2]=3 354 B6R0.6 CCCCN=C=S Z104473876 [0,0,1,0,0,0|1,1,1]=4 355 B6R0.6 CCCNCC#N Z235653524 [0,0,1,0,0,0|2,0,1]=4 356 B6R0.6 CCCOCCN Z4449042604 [0,0,1,0,0,0|2,0,1]=4 357 B6R0.6 CCNCCCF Z1203824341 [0,0,1,0,0,0|2,0,1]=4 358 B6R0.6 CCNCCCO Z138139914 [0,0,1,0,0,0|1,0,2]=4 359 B6R0.6 CCNCCSC Z2412193591 [0,0,1,0,0,0|3,0,0]=4 360 B6R0.6 CCOCCCO Z1080358490 [0,0,1,0,0,0|1,0,2]=4 361 B6R0.6 CNCCCCN Z2939606540 [0,0,1,0,0,0|2,0,1]=4 362 B6R0.6 CNCCCCO Z839096662 [0,0,1,0,0,0|1,0,2]=4 363 B6R0.6 CNCCCOC Z137847932 [0,0,1,0,0,0|3,0,0]=4 364 B6R0.6 CNCCCSC Z102766932 [0,0,1,0,0,0|3,0,0]=4 365 B6R0.6 COCCCC#N Z295205400 [0,0,1,0,0,0|2,0,1]=4 366 B6R0.6 COCCCCO Z431605254 [0,0,1,0,0,0|1,0,2]=4 367 B6R0.6 COCCN=C=O Z1094719556 [0,0,1,0,0,0|2,0,1]=4 368 B6R0.6 N#CCCCCN Z823279224 [0,0,1,0,0,0|2,0,1]=4 369 B6R0.6 N#CCCCCO Z431952150 [0,0,1,0,0,0|2,0,1]=4 370 B6R0.6 NCCCCCF Z3524160733 [0,0,1,0,0,0|2,0,1]=4 371 B6R0.6 NCCCCCN Z951173830 [0,0,1,0,0,0|2,0,1]=4 372 B6R0.6 O=CCCCC=O Z57127529 [0,0,1,0,0,0|1,0,1]=3 373 B8R2.2 C[C@@]12CNC[C@@H]1C2 Z2961068041 [0,0,0,1,0,0|2,0,1]=4 374 B8R2.2 C[C@]12CCC[C@H]1O2 Z4597543898 [0,0,0,1,0,0|2,0,1]=4 375 B8R2.2 NC12CSCC1C2 Z5976232934 [0,0,0,1,0,0|2,0,1]=4 376 B8R2.2 N[C@@]12CCC[C@@H]1C2 Z2896162962 [0,0,0,1,0,0|1,0,1]=3 377 B8R2.2 N[C@@]12COC[C@@H]1C2 Z2755982948 [0,0,0,1,0,0|2,0,1]=4 378 B8R2.5 NC1CC2C1CC2 Z4081406539 [0,0,0,1,0,0|1,0,1]=3 379 B8R2.5 O=C1N[C@H]2[C@@H]1C=C2 Z3678520407 [0,0,0,1,0,0|1,0,2]=4 380 B8R2.5 O=C1N[C@H]2[C@@H]1CC2 Z3977166567 [0,0,0,1,0,0|1,0,0]=2 381 B8R2.11 C[C@H]1[C@H]2[C@@H]1CNC2 Z2740752678 [0,0,0,1,0,0|2,0,1]=4 382 B8R2.11 NC1[C@@H]2[C@H]1CCC2 Z1891701563 [0,0,0,1,0,0|1,0,1]=3 383 B8R2.25 C1CC2CC2CN1 Z2568751757 [0,0,0,1,0,0|2,0,1]=4 384 B8R2.25 C1CC2OC2CO1 Z440605384 [0,0,0,1,0,0|1,0,2]=4 385 B8R2.25 C1CCC2OC2C1 Z239871664 [0,0,0,1,0,0|0,0,2]=3 386 B8R2.25 C1CNC2CC2C1 Z2429425564 [0,0,0,1,0,0|2,0,1]=4 387 B8R2.34 C1CC2CC1CN2 Z744843462 [0,0,0,1,0,0|2,0,1]=4 388 B8R2.34 C1CC2CCC1N2 Z235340117 [0,0,0,1,0,0|1,0,1]=3 389 B8R2.38 N[C@@H]1CC[C@H]2[C@@H]1C2 Z5104202649 [0,0,0,1,0,0|1,0,1]=3 390 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 Z2871939424 [0,0,0,1,0,0|1,0,0]=2 391 B6R1.2 C=C1CCNC1 Z3019986853 [0,0,0,0,1,0|2,0,0]=3 392 B6R1.2 C=C1CNOC1 Z3037884222 [0,0,0,0,1,0|3,0,0]=4 393 B6R1.2 CC1=CCNC1 Z1203734447 [0,0,0,0,1,0|2,0,1]=4 394 B6R1.2 CC1=NCCN1 Z204020260 [0,0,0,0,1,0|3,0,0]=4 395 B6R1.2 CC1=NCCS1 Z104480256 [0,0,0,0,1,0|3,0,0]=4 396 B6R1.2 CC1CCCN1 Z1274177652 [0,0,0,0,1,0|2,0,1]=4 397 B6R1.2 CC1CCNC1 Z729771722 [0,0,0,0,1,0|2,0,1]=4 398 B6R1.2 FC1CCNC1 Z1139751347 [0,0,0,0,1,0|2,0,1]=4 399 B6R1.2 N=C1CCCN1 Z204007506 [0,0,0,0,1,0|2,0,0]=3 400 B6R1.2 NC1=NCCO1 Z336087916 [0,0,0,0,1,0|3,0,0]=4 401 B6R1.2 NC1=NNCC1 Z1569708704 [0,0,0,0,1,0|3,0,0]=4 402 B6R1.2 NC1CCOC1 Z802544198 [0,0,0,0,1,0|2,0,1]=4 403 B6R1.2 NC1CCSC1 Z1267885911 [0,0,0,0,1,0|2,0,1]=4 404 B6R1.2 O=C1C=CCO1 Z1219048777 [0,0,0,0,1,0|1,0,2]=4 405 B6R1.2 O=C1CCCN1 Z104472846 [0,0,0,0,1,0|1,0,0]=2 406 B6R1.2 O=C1CCNC1 Z1741976513 [0,0,0,0,1,0|1,0,0]=2 407 B6R1.2 O=C1CCNN1 Z2935001239 [0,0,0,0,1,0|2,0,0]=3 408 B6R1.2 O=C1CCSC1 Z104495638 [0,0,0,0,1,0|1,0,0]=2 409 B6R1.2 O=C1NCCN1 Z104494954 [0,0,0,0,1,0|2,0,0]=3 410 B6R1.2 O=C1NCCO1 Z104474784 [0,0,0,0,1,0|2,0,0]=3 411 B6R1.2 O=C1NCCS1 Z55928860 [0,0,0,0,1,0|2,0,0]=3 412 B6R1.2 O=C1OCCO1 Z1172235744 [0,0,0,0,1,0|2,0,0]=3 413 B6R1.2 O=S1CCCC1 Z278052312 [0,0,0,0,1,0|1,0,0]=2 414 B6R1.2 OC1CCOC1 Z1124541349 [0,0,0,0,1,0|1,0,2]=4 415 B6R1.2 OC1CCSC1 Z335244836 [0,0,0,0,1,0|1,0,2]=4 416 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [0,0,0,0,1,0|1,0,2]=4 417 B6R1.2 O[C@H]1CCNC1 Z1263714116 [0,0,0,0,1,0|1,0,2]=4 418 B6R1.2 SC1=NCCN1 Z104497392 [0,0,0,0,1,0|2,1,0]=4 419 B8R1.22 CC1CCCCNC1 Z1723849152 [0,0,0,0,0,1|1,0,1]=3 420 B8R1.22 CC1CCCNCC1 Z425362298 [0,0,0,0,0,1|1,0,1]=3 421 B8R1.22 CC1CCNCCN1 Z3006266627 [0,0,0,0,0,1|2,0,1]=4 422 B8R1.22 CC1CCNCCO1 Z2855997854 [0,0,0,0,0,1|2,0,1]=4 423 B8R1.22 CC1CCNCCS1 Z1270499064 [0,0,0,0,0,1|2,0,1]=4 424 B8R1.22 CC1CCOCCN1 Z2940715295 [0,0,0,0,0,1|2,0,1]=4 425 B8R1.22 CC1CCSCCN1 Z1839475384 [0,0,0,0,0,1|2,0,1]=4 426 B8R1.22 CC1CNCCCN1 Z1203732447 [0,0,0,0,0,1|2,0,1]=4 427 B8R1.22 CC1CNCCCO1 Z425722880 [0,0,0,0,0,1|2,0,1]=4 428 B8R1.22 CC1CNCCOC1 Z1216819166 [0,0,0,0,0,1|2,0,1]=4 429 B8R1.22 CC1CNCCSC1 Z1270496770 [0,0,0,0,0,1|2,0,1]=4 430 B8R1.22 CC1COCCCN1 Z1216819161 [0,0,0,0,0,1|2,0,1]=4 431 B8R1.22 CC1CSCCCN1 Z2895198847 [0,0,0,0,0,1|2,0,1]=4 432 B8R1.22 CN1CCCNCC1 Z104479254 [0,0,0,0,0,1|2,0,0]=3 433 B8R1.22 FC1CCCNCC1 Z1255416656 [0,0,0,0,0,1|1,0,1]=3 434 B8R1.22 FC1CNCCOC1 Z4924614783 [0,0,0,0,0,1|2,0,1]=4 435 B8R1.22 NC1CCC=CCC1 Z2824346881 [0,0,0,0,0,1|1,0,2]=4 436 B8R1.22 NC1CCCCCC1 Z104477488 [0,0,0,0,0,1|1,0,1]=3 437 B8R1.22 NC1CCCSCC1 Z3102941972 [0,0,0,0,0,1|1,0,1]=3 438 B8R1.22 NC1COCCOC1 Z1463350443 [0,0,0,0,0,1|2,0,1]=4 439 B8R1.22 NC1CSCCSC1 Z4628238517 [0,0,0,0,0,1|2,0,1]=4 440 B8R1.22 O=C1CCCCCC1 Z104473100 [0,0,0,0,0,1|0,0,0]=1 441 B8R1.22 O=C1CCNCCN1 Z119989554 [0,0,0,0,0,1|1,0,0]=2 442 B8R1.22 O=C1CCOCCN1 Z821098578 [0,0,0,0,0,1|1,0,0]=2 443 B8R1.22 O=C1CCSCCN1 Z1198315286 [0,0,0,0,0,1|1,0,0]=2 444 B8R1.22 O=C1CNCCCN1 Z2756332573 [0,0,0,0,0,1|1,0,0]=2 445 B8R1.22 O=C1COCCCN1 Z1203733065 [0,0,0,0,0,1|1,0,0]=2 446 B8R1.22 OC1CCCNCC1 Z1198309797 [0,0,0,0,0,1|0,0,2]=3 447 B8R1.22 OC1CNCCOC1 Z2234631219 [0,0,0,0,0,1|1,0,2]=4 448 B5R0.1 C=C(C)CCN Z1203582475 [1,0,1,0,0,0|2,0,0]=4 449 B5R0.1 CC(=O)CCO Z906206900 [1,0,1,0,0,0|1,0,0]=3 450 B5R0.1 CCCC(=N)N Z1198394172 [1,0,1,0,0,0|2,0,0]=4 451 B5R0.1 CCCC(=O)N Z33546461 [1,0,1,0,0,0|1,0,0]=3 452 B5R0.1 CCCC(=O)O Z104495380 [1,0,1,0,0,0|1,0,0]=3 453 B5R0.1 CCCC(C)N Z2417819590 [1,0,1,0,0,0|1,0,1]=4 454 B5R0.1 CCOC(=O)N Z33546369 [1,0,1,0,0,0|2,0,0]=4 455 B5R0.1 CNCC(=O)N Z415678308 [1,0,1,0,0,0|2,0,0]=4 456 B5R0.1 CNCC(=O)O Z104480276 [1,0,1,0,0,0|2,0,0]=4 457 B5R0.1 COCC(=O)N Z33546778 [1,0,1,0,0,0|2,0,0]=4 458 B5R0.1 COCC(=O)O Z104477404 [1,0,1,0,0,0|2,0,0]=4 459 B5R0.1 CS(=O)CCN Z802568576 [1,0,1,0,0,0|2,0,0]=4 460 B5R0.1 CSCC(=O)N Z33545668 [1,0,1,0,0,0|2,0,0]=4 461 B5R0.1 CSCS(=O)C Z1255438413 [1,0,1,0,0,0|2,0,0]=4 462 B5R0.1 NC(=O)CCO Z431951940 [1,0,1,0,0,0|2,0,0]=4 463 B5R0.1 NCCC(=O)N Z415728050 [1,0,1,0,0,0|2,0,0]=4 464 B5R0.1 NCCC(=O)O Z57127544 [1,0,1,0,0,0|2,0,0]=4 465 B5R0.1 O=C(O)CCCl Z203045320 [1,0,1,0,0,0|2,0,0]=4 466 B5R0.1 O=C(O)CCS Z104474322 [1,0,1,0,0,0|2,0,0]=4 467 B5R0.2 C/C=C/CCN Z1268152372 [1,0,1,0,0,0|1,0,1]=4 468 B5R0.2 C/C=C/OCC Z281777810 [1,0,1,0,0,0|1,0,1]=4 469 B5R0.2 C=CCCCN Z993058434 [1,0,1,0,0,0|1,0,1]=4 470 B5R0.2 C=CCNCC Z2044769224 [1,0,1,0,0,0|1,0,1]=4 471 B5R0.2 CCCCC=O Z104472992 [1,0,1,0,0,0|0,0,0]=2 472 B5R0.2 CCCCCN Z104472246 [1,0,1,0,0,0|1,0,0]=3 473 B5R0.2 CCCNCC Z138446288 [1,0,1,0,0,0|1,0,0]=3 474 B5R0.2 CCNCCF Z1198305484 [1,0,1,0,0,0|2,0,0]=4 475 B5R0.2 CCNCCO Z1258992395 [1,0,1,0,0,0|1,0,1]=4 476 B5R0.2 CCNOCC Z223690220 [1,0,1,0,0,0|2,0,0]=4 477 B5R0.2 CCOCCN Z271005962 [1,0,1,0,0,0|2,0,0]=4 478 B5R0.2 CCOCCO Z104473122 [1,0,1,0,0,0|1,0,1]=4 479 B5R0.2 CCSCCN Z3061111063 [1,0,1,0,0,0|2,0,0]=4 480 B5R0.2 CNCCCO Z104756980 [1,0,1,0,0,0|1,0,1]=4 481 B5R0.2 CNCCOC Z1259162131 [1,0,1,0,0,0|2,0,0]=4 482 B5R0.2 CNCCSC Z1398461959 [1,0,1,0,0,0|2,0,0]=4 483 B5R0.2 COCCCO Z431517702 [1,0,1,0,0,0|1,0,1]=4 484 B5R0.2 COCCOC Z104473014 [1,0,1,0,0,0|2,0,0]=4 485 B5R0.2 NCCCCF Z2177031126 [1,0,1,0,0,0|2,0,0]=4 486 B5R0.2 NCCCCN Z104472592 [1,0,1,0,0,0|2,0,0]=4 487 B5R0.3 C=C(CC)CN Z2238934536 [1,0,1,0,0,0|2,0,0]=4 488 B5R0.3 CCC(=O)CC Z104476878 [1,0,1,0,0,0|0,0,0]=2 489 B5R0.3 CCC(=O)CN Z1203579016 [1,0,1,0,0,0|1,0,0]=3 490 B5R0.3 CCC(=O)NN Z56886418 [1,0,1,0,0,0|2,0,0]=4 491 B5R0.3 CNC(=O)CCl Z56891219 [1,0,1,0,0,0|2,0,0]=4 492 B5R0.3 CNC(=O)CN Z57981102 [1,0,1,0,0,0|2,0,0]=4 493 B5R0.3 CNC(=O)CO Z431952700 [1,0,1,0,0,0|2,0,0]=4 494 B5R0.3 CNC(=O)CS Z1203730878 [1,0,1,0,0,0|2,0,0]=4 495 B5R0.3 COC(=O)CN Z57042020 [1,0,1,0,0,0|2,0,0]=4 496 B5R0.3 NCC(=O)CN Z1198147360 [1,0,1,0,0,0|2,0,0]=4 497 B5R0.3 O=C(CO)CO Z1255442144 [1,0,1,0,0,0|2,0,0]=4 498 B7R0.2 CC(C)NC(=O)CN Z316170536 [0,1,1,0,0,0|2,0,0]=4 499 B7R0.2 CC(C)NC(=O)CO Z431952044 [0,1,1,0,0,0|2,0,0]=4 500 B7R0.2 CC(C)OC(=O)CN Z1245635749 [0,1,1,0,0,0|2,0,0]=4 501 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,1,1,0,0,0|0,0,1]=3 502 B7R0.2 CCC(C)CC(C)N Z2472857681 [0,1,1,0,0,0|1,0,1]=4 503 B7R0.2 CNC(=N)CC(C)C Z4121959005 [0,1,1,0,0,0|2,0,0]=4 504 B7R0.2 CNC(=O)CC(C)N Z1457935170 [0,1,1,0,0,0|1,0,0]=3 505 B7R0.2 COC(=O)CC(C)N Z169856728 [0,1,1,0,0,0|1,0,0]=3 506 B7R0.3 C#CCNC(=O)CC Z220957516 [0,1,1,0,0,0|0,0,2]=4 507 B7R0.3 CC/C=C/C(=O)NC Z404206580 [0,1,1,0,0,0|1,0,1]=4 508 B7R0.3 CCC(=O)NCCN Z1455674775 [0,1,1,0,0,0|1,0,0]=3 509 B7R0.3 CCC(N)CCOC Z818738108 [0,1,1,0,0,0|1,0,1]=4 510 B7R0.3 CCC(O)CCCN Z1259162031 [0,1,1,0,0,0|0,0,2]=4 511 B7R0.3 CCCCC(=O)CC Z406378226 [0,1,1,0,0,0|0,0,0]=2 512 B7R0.3 CCCCC(N)CC Z3303777618 [0,1,1,0,0,0|1,0,1]=4 513 B7R0.3 CCCNC(=O)CC Z33030426 [0,1,1,0,0,0|0,0,0]=2 514 B7R0.3 CCNCC(=O)NC Z55849445 [0,1,1,0,0,0|1,0,0]=3 515 B7R0.3 CCNCC(=O)OC Z138464962 [0,1,1,0,0,0|1,0,0]=3 516 B7R0.3 CCNCC(C)CC Z335456758 [0,1,1,0,0,0|1,0,1]=4 517 B7R0.3 CCNCC(O)CC Z600449680 [0,1,1,0,0,0|0,0,2]=4 518 B7R0.3 CNC(=N)CCOC Z2739543518 [0,1,1,0,0,0|2,0,0]=4 519 B7R0.3 CNC(=O)CCCN Z451350656 [0,1,1,0,0,0|1,0,0]=3 520 B7R0.3 CNC(=O)NCCO Z177090556 [0,1,1,0,0,0|2,0,0]=4 521 B7R0.3 CNC(=O)OCCO Z1198150357 [0,1,1,0,0,0|2,0,0]=4 522 B7R0.3 CNCCC(=O)NC Z852427258 [0,1,1,0,0,0|1,0,0]=3 523 B7R0.3 CNCCC(=O)OC Z140562916 [0,1,1,0,0,0|1,0,0]=3 524 B7R0.3 COC(=O)CCC#N Z1179894109 [0,1,1,0,0,0|1,0,1]=4 525 B7R0.3 COC(=O)NCCN Z2237317343 [0,1,1,0,0,0|2,0,0]=4 526 B7R0.3 NCC(=O)NCCO Z401366912 [0,1,1,0,0,0|2,0,0]=4 527 B7R0.3 NCCCC(=O)NO Z3488307998 [0,1,1,0,0,0|2,0,0]=4 528 B7R0.3 O=C(CO)NCCO Z1203732626 [0,1,1,0,0,0|2,0,0]=4 529 B7R0.5 C=C(C)C(=O)OCC Z852747724 [0,1,1,0,0,0|1,0,1]=4 530 B7R0.5 CC(C)C(=O)CC#N Z319444036 [0,1,1,0,0,0|1,0,1]=4 531 B7R0.5 CCCC(C)C(C)N Z2737299926 [0,1,1,0,0,0|1,0,1]=4 532 B7R0.5 CCNC(=O)C(C)Cl Z147651950 [0,1,1,0,0,0|1,0,0]=3 533 B7R0.5 CCNC(=O)C(C)N Z89265773 [0,1,1,0,0,0|1,0,0]=3 534 B7R0.5 CCOC(=N)C(C)C Z1623864182 [0,1,1,0,0,0|2,0,0]=4 535 B7R0.5 CCOC(=O)C(=O)C Z104472090 [0,1,1,0,0,0|1,0,1]=4 536 B7R0.5 CCOC(=O)C(F)F Z361436550 [0,1,1,0,0,0|2,0,0]=4 537 B7R0.5 CN(C)C(=O)CCN Z802671460 [0,1,1,0,0,0|2,0,0]=4 538 B7R0.5 CN(C)C(=O)CCO Z635883438 [0,1,1,0,0,0|2,0,0]=4 539 B7R0.5 COCC(=O)C(C)C Z825742022 [0,1,1,0,0,0|1,0,0]=3 540 B7R0.7 C/C=C/C(=O)OCC Z2327209524 [0,1,1,0,0,0|0,0,2]=4 541 B7R0.7 CCCC(C)CCN Z2768767726 [0,1,1,0,0,0|1,0,1]=4 542 B7R0.7 CCCC(C)CNC Z3214687920 [0,1,1,0,0,0|1,0,1]=4 543 B7R0.7 CCCC(O)CCO Z1198158209 [0,1,1,0,0,0|0,0,2]=4 544 B7R0.7 CCNC(=O)CCCl Z239813542 [0,1,1,0,0,0|1,0,0]=3 545 B7R0.7 CCNC(=O)CCN Z1449756826 [0,1,1,0,0,0|1,0,0]=3 546 B7R0.7 CCNC(=O)CCO Z975909368 [0,1,1,0,0,0|1,0,0]=3 547 B7R0.7 CCNC(=O)CNC Z594038090 [0,1,1,0,0,0|1,0,0]=3 548 B7R0.7 CCOC(=N)CSC Z4498865780 [0,1,1,0,0,0|2,0,0]=4 549 B7R0.7 CCOC(=O)CC#N Z104473162 [0,1,1,0,0,0|1,0,1]=4 550 B7R0.7 CCOC(=O)CNC Z1262237263 [0,1,1,0,0,0|1,0,0]=3 551 B7R0.7 CCOC(=O)OCC Z104482516 [0,1,1,0,0,0|1,0,0]=3 552 B7R0.10 CCC(=O)C(=O)CC Z104472286 [0,1,1,0,0,0|0,0,1]=3 553 B7R0.10 CCC(=O)C(C)C#N Z385381340 [0,1,1,0,0,0|1,0,1]=4 554 B7R0.10 CCC(C)C(=N)OC Z975823972 [0,1,1,0,0,0|2,0,0]=4 555 B7R0.10 CCC(C)C(=O)CN Z4526173679 [0,1,1,0,0,0|1,0,0]=3 556 B7R0.10 CCC(C)C(O)CC Z1138194601 [0,1,1,0,0,0|0,0,2]=4 557 B7R0.10 CCC(N)C(=O)NC Z1449756338 [0,1,1,0,0,0|1,0,0]=3 558 B7R0.10 CCN(C)C(=O)CN Z409025350 [0,1,1,0,0,0|2,0,0]=4 559 B7R0.10 CCN(C)C(=O)NC Z1042069854 [0,1,1,0,0,0|2,0,0]=4 560 B7R0.10 CNC(=O)C(C)CN Z2079695013 [0,1,1,0,0,0|2,0,0]=4 561 B7R0.10 CNC(=O)C(N)CO Z1203584884 [0,1,1,0,0,0|2,0,0]=4 562 B7R0.10 CNC(=O)C(O)CN Z2418537068 [0,1,1,0,0,0|2,0,0]=4 563 B7R0.10 COC(=O)C(C)CN Z1357902409 [0,1,1,0,0,0|2,0,0]=4 564 B7R0.10 COC(=O)C(C)SC Z821313006 [0,1,1,0,0,0|2,0,0]=4 565 B7R0.10 COC(=O)C(N)CF Z1255489945 [0,1,1,0,0,0|2,0,0]=4 566 B7R0.10 COC(=O)C(N)CO Z104479480 [0,1,1,0,0,0|2,0,0]=4 567 B7R0.10 COC(=O)C(N)CS Z56917374 [0,1,1,0,0,0|2,0,0]=4 568 B7R0.10 COC(=O)[C@@H](F)CN Z2830704461 [0,1,1,0,0,0|2,0,0]=4 569 B7R0.10 COC(=O)[C@@H](N)CS Z1741970632 [0,1,1,0,0,0|2,0,0]=4 570 B7R0.10 COC(=O)[C@@H](O)CN Z1540004832 [0,1,1,0,0,0|2,0,0]=4 571 B7R0.11 CCCS(=O)(=O)NC Z55026691 [0,1,1,0,0,0|2,0,0]=4 572 B7R0.11 CCS(=O)(=O)CCN Z424776794 [0,1,1,0,0,0|2,0,0]=4 573 B7R0.4 C#CCCNC(=O)C Z1188389866 [0,1,1,0,0,0|0,0,2]=4 574 B7R0.4 C=CCCCC(=O)O Z1205493561 [0,1,1,0,0,0|1,0,1]=4 575 B7R0.4 CC#CCCC(=O)O Z1205493674 [0,1,1,0,0,0|1,0,1]=4 576 B7R0.4 CC(=O)NCCCN Z295405102 [0,1,1,0,0,0|1,0,0]=3 577 B7R0.4 CC(=O)NCCCO Z353570744 [0,1,1,0,0,0|1,0,0]=3 578 B7R0.4 CC(C)CCCCN Z1250132304 [0,1,1,0,0,0|1,0,1]=4 579 B7R0.4 CC(N)CCCCN Z2186882580 [0,1,1,0,0,0|1,0,1]=4 580 B7R0.4 CC(N)CCCCO Z2234185667 [0,1,1,0,0,0|1,0,1]=4 581 B7R0.4 CCC/C=C/C(=O)O Z104506794 [0,1,1,0,0,0|1,0,1]=4 582 B7R0.4 CCCCCC(=N)N Z3490473907 [0,1,1,0,0,0|2,0,0]=4 583 B7R0.4 CCCCCC(=O)O Z104503532 [0,1,1,0,0,0|1,0,0]=3 584 B7R0.4 CCCCCC(C)N Z104495176 [0,1,1,0,0,0|1,0,1]=4 585 B7R0.4 CCCCNC(=S)N Z56930717 [0,1,1,0,0,0|1,1,0]=4 586 B7R0.4 CCCCOC(=O)N Z104476286 [0,1,1,0,0,0|1,0,0]=3 587 B7R0.4 CCCNCC(=O)N Z2211231296 [0,1,1,0,0,0|1,0,0]=3 588 B7R0.4 CCCNCC(=O)O Z744582718 [0,1,1,0,0,0|1,0,0]=3 589 B7R0.4 CCCNCC(C)C Z90518190 [0,1,1,0,0,0|1,0,1]=4 590 B7R0.4 CCCOCC(=O)O Z406677750 [0,1,1,0,0,0|1,0,0]=3 591 B7R0.4 CCCSCC(=O)C Z447929234 [0,1,1,0,0,0|0,0,0]=2 592 B7R0.4 CCCSCC(=O)O Z228425458 [0,1,1,0,0,0|1,0,0]=3 593 B7R0.4 CCNCCC(=O)N Z2681234913 [0,1,1,0,0,0|1,0,0]=3 594 B7R0.4 CCNCCC(=O)O Z1869802098 [0,1,1,0,0,0|1,0,0]=3 595 B7R0.4 CCOCCC(=O)O Z316258938 [0,1,1,0,0,0|1,0,0]=3 596 B7R0.4 CCSCCC(=O)O Z197206046 [0,1,1,0,0,0|1,0,0]=3 597 B7R0.4 CN(C)CCCCN Z285162754 [0,1,1,0,0,0|2,0,0]=4 598 B7R0.4 CNCCCC(=O)O Z57043473 [0,1,1,0,0,0|1,0,0]=3 599 B7R0.4 CNCCCN(C)C Z138118060 [0,1,1,0,0,0|2,0,0]=4 600 B7R0.4 CNCCNC(=O)C Z1456777974 [0,1,1,0,0,0|1,0,0]=3 601 B7R0.4 COCCCC(=N)N Z1267882086 [0,1,1,0,0,0|2,0,0]=4 602 B7R0.4 COCCCC(=O)C Z406376722 [0,1,1,0,0,0|0,0,0]=2 603 B7R0.4 COCCCC(=O)O Z316258912 [0,1,1,0,0,0|1,0,0]=3 604 B7R0.4 COCCCC(C)O Z854048762 [0,1,1,0,0,0|0,0,2]=4 605 B7R0.4 COCCCN(C)C Z2894648941 [0,1,1,0,0,0|2,0,0]=4 606 B7R0.4 COCCNC(=O)N Z56904572 [0,1,1,0,0,0|2,0,0]=4 607 B7R0.4 CSCCCC(=O)O Z54602911 [0,1,1,0,0,0|1,0,0]=3 608 B7R0.4 N#CCCCC(=O)O Z1198152304 [0,1,1,0,0,0|1,0,1]=4 609 B7R0.4 NC(=O)COCCO Z1198148880 [0,1,1,0,0,0|2,0,0]=4 610 B7R0.4 NC(=O)NCCCO Z198194722 [0,1,1,0,0,0|2,0,0]=4 611 B7R0.4 NCCCCC(=O)N Z1639630947 [0,1,1,0,0,0|1,0,0]=3 612 B7R0.4 NCCCCC(=O)O Z271111992 [0,1,1,0,0,0|1,0,0]=3 613 B7R0.4 NCCCOC(=O)N Z3337481796 [0,1,1,0,0,0|2,0,0]=4 614 B7R0.4 NCCNCC(=O)O Z2692249907 [0,1,1,0,0,0|2,0,0]=4 615 B7R0.4 NCCOCC(=O)N Z1428158847 [0,1,1,0,0,0|2,0,0]=4 616 B7R0.4 NCCOCC(=O)O Z1650039500 [0,1,1,0,0,0|2,0,0]=4 617 B7R0.4 NCCSCC(=O)O Z1381287295 [0,1,1,0,0,0|2,0,0]=4 618 B7R0.4 O=C(O)CCCCBr Z104479696 [0,1,1,0,0,0|1,0,0]=3 619 B7R0.4 O=C(O)CCCCS Z808230828 [0,1,1,0,0,0|1,0,0]=3 620 B7R0.4 O=C(O)CNCCO Z425411352 [0,1,1,0,0,0|2,0,0]=4 621 B7R0.4 O=C([O-])CCCCO Z2335631573 [0,1,1,0,0,0|1,0,0]=3 622 B7R0.4 O=C([O-])COCCO Z1744715804 [0,1,1,0,0,0|2,0,0]=4 623 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,1,1,0,0,0|1,0,1]=4 624 B7R0.6 CC(=O)NCC(C)O Z353603952 [0,1,1,0,0,0|1,0,0]=3 625 B7R0.6 CC(C)CCC(=N)N Z2522503133 [0,1,1,0,0,0|2,0,0]=4 626 B7R0.6 CC(C)CCC(=O)O Z56347204 [0,1,1,0,0,0|1,0,0]=3 627 B7R0.6 CC(C)CNC(=O)N Z56895708 [0,1,1,0,0,0|2,0,0]=4 628 B7R0.6 CC(C)NCC(=O)N Z56969693 [0,1,1,0,0,0|2,0,0]=4 629 B7R0.6 CC(C)NCC(=O)O Z359419672 [0,1,1,0,0,0|2,0,0]=4 630 B7R0.6 CC(C)OCC(=O)O Z316259244 [0,1,1,0,0,0|2,0,0]=4 631 B7R0.6 CC(C)SCC(=O)O Z214812600 [0,1,1,0,0,0|2,0,0]=4 632 B7R0.6 CC(N)CCC(=O)O Z1235963367 [0,1,1,0,0,0|1,0,0]=3 633 B7R0.6 CC(N)CCN(C)C Z316119490 [0,1,1,0,0,0|2,0,0]=4 634 B7R0.6 CC(N)CCS(=O)C Z1269750451 [0,1,1,0,0,0|1,0,0]=3 635 B7R0.6 CC(O)CCC(=O)O Z838959470 [0,1,1,0,0,0|1,0,0]=3 636 B7R0.6 CN(C)CCC(=O)N Z168912842 [0,1,1,0,0,0|2,0,0]=4 637 B7R0.6 CN(C)CCC(=O)O Z168912830 [0,1,1,0,0,0|2,0,0]=4 638 B7R0.6 CS(=O)CCC(=O)O Z667974346 [0,1,1,0,0,0|2,0,0]=4 639 B7R0.8 CCCCC(C)(C)N Z4437707785 [0,1,1,0,0,0|1,0,1]=4 640 B7R0.8 CCCCS(=O)(=O)N Z55264566 [0,1,1,0,0,0|2,0,0]=4 641 B7R0.8 CNCCS(=O)(=O)C Z235580952 [0,1,1,0,0,0|2,0,0]=4 642 B7R0.8 CS(=O)(=O)CCCN Z752370998 [0,1,1,0,0,0|2,0,0]=4 643 B7R0.8 CS(=O)(=O)CCCO Z1080376164 [0,1,1,0,0,0|2,0,0]=4 644 B7R0.1 CCCCCCCO Z104473596 [0,1,1,0,0,0|0,0,2]=4 645 B7R0.1 CCCCCCNC Z5419328797 [0,1,1,0,0,0|1,0,1]=4 646 B7R0.1 CCCCOCCN Z409191398 [0,1,1,0,0,0|1,0,1]=4 647 B7R0.1 CCCOCCCO Z1080358966 [0,1,1,0,0,0|0,0,2]=4 648 B7R0.1 CCOCCCC#N Z295205414 [0,1,1,0,0,0|1,0,1]=4 649 B7R0.1 CCOCCCCO Z993012560 [0,1,1,0,0,0|0,0,2]=4 650 B7R0.1 CCSCCCC#N Z332378682 [0,1,1,0,0,0|1,0,1]=4 651 B7R0.1 CNCCCCCN Z4097840720 [0,1,1,0,0,0|1,0,1]=4 652 B7R0.1 CNCCCCOC Z875082126 [0,1,1,0,0,0|2,0,0]=4 653 B7R0.1 COCCCCC#N Z815260498 [0,1,1,0,0,0|1,0,1]=4 654 B7R0.1 COCCCCCN Z608347192 [0,1,1,0,0,0|1,0,1]=4 655 B7R0.1 COCCCCCO Z993012416 [0,1,1,0,0,0|0,0,2]=4 656 B7R0.1 CSCCCCC#N Z823282284 [0,1,1,0,0,0|1,0,1]=4 657 B7R0.1 CSCCCCCN Z823285026 [0,1,1,0,0,0|1,0,1]=4 658 B7R0.1 CSCCCCCO Z968557058 [0,1,1,0,0,0|0,0,2]=4 659 B7R0.1 CSCCCCSC Z1198148193 [0,1,1,0,0,0|2,0,0]=4 660 B7R0.1 NCCCCCCN Z104473514 [0,1,1,0,0,0|1,0,1]=4 661 B7R0.1 OCCCCCCBr Z1255398867 [0,1,1,0,0,0|0,0,2]=4 662 B7R0.1 OCCCCCCO Z104473540 [0,1,1,0,0,0|0,0,2]=4 663 B7R1.1 CNC1CCCC1 Z102766802 [0,1,0,0,1,0|1,0,1]=4 664 B7R1.1 COC1=NCCC1 Z147641734 [0,1,0,0,1,0|1,0,1]=4 665 B7R1.1 N#CC1CCCC1 Z285131394 [0,1,0,0,1,0|1,0,1]=4 666 B7R1.1 NCC1CCCC1 Z367452206 [0,1,0,0,1,0|1,0,1]=4 667 B7R1.1 NNC1CCCC1 Z285139110 [0,1,0,0,1,0|1,0,1]=4 668 B7R1.1 O=CC1=CCCC1 Z1190318866 [0,1,0,0,1,0|0,0,1]=3 669 B7R1.1 O=CC1=CCSC1 Z57981092 [0,1,0,0,1,0|1,0,1]=4 670 B7R1.1 O=CC1CCCC1 Z875036058 [0,1,0,0,1,0|0,0,1]=3 671 B7R1.1 O=CC1CCOC1 Z199056102 [0,1,0,0,1,0|1,0,1]=4 672 B7R1.1 O=CC1CCSC1 Z1201681645 [0,1,0,0,1,0|1,0,1]=4 673 B7R1.1 O=CN1CCCC1 Z1255394997 [0,1,0,0,1,0|1,0,0]=3 674 B7R1.1 O=NN1CCOC1 Z1198157988 [0,1,0,0,1,0|2,0,0]=4 675 B7R1.1 OCC1CCCC1 Z397587414 [0,1,0,0,1,0|0,0,2]=4 676 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,1,0,0,1,0|1,0,0]=3 677 B7R1.2 CC1CC(=O)NN1 Z217165562 [0,1,0,0,1,0|2,0,0]=4 678 B7R1.2 CC1CCC(=O)N1 Z1250132456 [0,1,0,0,1,0|1,0,0]=3 679 B7R1.2 CC1CCC(=O)O1 Z963595138 [0,1,0,0,1,0|1,0,0]=3 680 B7R1.2 CC1CCC(C1)O Z1233224917 [0,1,0,0,1,0|0,0,2]=4 681 B7R1.2 CC1CNC(=N)C1 Z4085233400 [0,1,0,0,1,0|2,0,0]=4 682 B7R1.2 CC1CNC(=O)C1 Z959319678 [0,1,0,0,1,0|1,0,0]=3 683 B7R1.2 CC1CNC(=O)N1 Z1203730895 [0,1,0,0,1,0|2,0,0]=4 684 B7R1.2 CC1CNC(=O)O1 Z1198149952 [0,1,0,0,1,0|2,0,0]=4 685 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,1,0,0,1,0|1,0,0]=3 686 B7R1.2 CN1CCC(=O)N1 Z1618125551 [0,1,0,0,1,0|2,0,0]=4 687 B7R1.2 NC1=CC(=O)CC1 Z1124125496 [0,1,0,0,1,0|0,0,2]=4 688 B7R1.2 NC1CCS(=O)C1 Z1267860904 [0,1,0,0,1,0|1,0,0]=3 689 B7R1.2 NC1CNC(=O)C1 Z1198329759 [0,1,0,0,1,0|1,0,0]=3 690 B7R1.2 N[C@H]1CC[C@H](C1)N Z2752749810 [0,1,0,0,1,0|1,0,1]=4 691 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,1,0,0,1,0|1,0,0]=3 692 B7R1.2 O=C1CCC(=O)N1 Z57127349 [0,1,0,0,1,0|1,0,1]=4 693 B7R1.2 O=C1CCC(=O)O1 Z57127506 [0,1,0,0,1,0|1,0,1]=4 694 B7R1.4 C=C1CCOC1=O Z1255438435 [0,1,0,0,1,0|1,0,1]=4 695 B7R1.4 C=C1COCC1N Z3066568668 [0,1,0,0,1,0|2,0,0]=4 696 B7R1.4 CC1CCCC1=O Z813018382 [0,1,0,0,1,0|0,0,0]=2 697 B7R1.4 CC1CCCC1N Z1219738990 [0,1,0,0,1,0|1,0,1]=4 698 B7R1.4 CC1CCNC1=O Z1198147219 [0,1,0,0,1,0|1,0,0]=3 699 B7R1.4 CC1NCCC1=O Z2733314209 [0,1,0,0,1,0|1,0,0]=3 700 B7R1.4 CN1CCCC1=O Z104478382 [0,1,0,0,1,0|1,0,0]=3 701 B7R1.4 CN1CCNC1=O Z336079928 [0,1,0,0,1,0|2,0,0]=4 702 B7R1.4 CN1CNCC1=O Z1601562352 [0,1,0,0,1,0|2,0,0]=4 703 B7R1.4 C[C@@H]1CCC[C@@H]1N Z2309845262 [0,1,0,0,1,0|1,0,1]=4 704 B7R1.4 C[C@@H]1CCC[C@H]1N Z2568757690 [0,1,0,0,1,0|1,0,1]=4 705 B7R1.4 NC1CCOC1=O Z56921763 [0,1,0,0,1,0|1,0,0]=3 706 B7R1.4 NC1CCSC1=O Z56922158 [0,1,0,0,1,0|1,0,0]=3 707 B7R1.4 NC1CONC1=O Z336087816 [0,1,0,0,1,0|2,0,0]=4 708 B7R1.4 NN1CCOC1=O Z1198147716 [0,1,0,0,1,0|2,0,0]=4 709 B7R1.4 N[C@@H]1CCC[C@@H]1O Z2306841441 [0,1,0,0,1,0|0,0,2]=4 710 B7R1.4 N[C@@H]1CCC[C@H]1N Z2786079696 [0,1,0,0,1,0|1,0,1]=4 711 B7R1.4 N[C@@H]1CCC[C@H]1O Z2256393934 [0,1,0,0,1,0|0,0,2]=4 712 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [0,1,0,0,1,0|1,0,0]=3 713 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [0,1,0,0,1,0|2,0,0]=4 714 B7R1.4 N[C@H]1CCC[C@@H]1O Z1197994837 [0,1,0,0,1,0|0,0,2]=4 715 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [0,1,0,0,1,0|1,0,0]=3 716 B7R1.4 N[C@H]1CONC1=O Z1201618622 [0,1,0,0,1,0|2,0,0]=4 717 B7R1.4 O=C1CCCC1Cl Z104492966 [0,1,0,0,1,0|0,0,0]=2 718 B7R1.4 O=C1NCCC1F Z1203745843 [0,1,0,0,1,0|1,0,0]=3 719 B7R1.4 OC1CCCC1O Z600452564 [0,1,0,0,1,0|0,0,2]=4 720 B7R1.14 CC1(CCCC1)O Z449370856 [0,1,0,0,1,0|0,0,2]=4 721 B7R1.14 N=S1(=O)CCCC1 Z1862022759 [0,1,0,0,1,0|1,0,0]=3 722 B7R1.14 O=S1(=O)CCCN1 Z359508120 [0,1,0,0,1,0|2,0,0]=4 723 B9R1.5 CC1CCCCNC1=O Z1198181151 [0,1,0,0,0,1|0,0,0]=2 724 B9R1.5 CC1CCNCCS1=O Z1860991527 [0,1,0,0,0,1|1,0,0]=3 725 B9R1.5 CC1NCCCNC1=O Z1203829873 [0,1,0,0,0,1|1,0,0]=3 726 B9R1.5 CN1CCCNCC1=O Z1198179782 [0,1,0,0,0,1|1,0,0]=3 727 B9R1.5 NC1CCCCCC1=O Z2213893401 [0,1,0,0,0,1|0,0,0]=2 728 B9R1.5 NC1CCCCNC1=O Z281895050 [0,1,0,0,0,1|0,0,0]=2 729 B9R1.5 N[C@@H]1CCCCC[C@H]1O Z1198180675 [0,1,0,0,0,1|0,0,2]=4 730 B9R1.5 N[C@H]1CCCCC[C@H]1N Z2895202592 [0,1,0,0,0,1|1,0,1]=4 731 B9R1.5 O=C1CCCCCC1Cl Z223607164 [0,1,0,0,0,1|0,0,0]=2 732 B9R1.5 O=C1NCCCCC1Br Z220343714 [0,1,0,0,0,1|0,0,0]=2 733 B9R1.5 O[C@H]1CCNCC[C@H]1O Z3681811836 [0,1,0,0,0,1|0,0,2]=4 734 B9R1.48 CC1CC(=O)NCCN1 Z1165350935 [0,1,0,0,0,1|1,0,0]=3 735 B9R1.48 CC1CNCCN(C1)C Z825716170 [0,1,0,0,0,1|2,0,0]=4 736 B9R1.48 CC1CNCCS(=O)C1 Z1868316786 [0,1,0,0,0,1|1,0,0]=3 737 B9R1.48 CC1COCCC(=O)N1 Z1203833663 [0,1,0,0,0,1|1,0,0]=3 738 B9R1.48 CN1CCCNC(=O)C1 Z1031052044 [0,1,0,0,0,1|1,0,0]=3 739 B9R1.48 CN1CCNCC(C1)O Z2310716518 [0,1,0,0,0,1|2,0,0]=4 740 B9R1.48 C[C@@H]1CCNC[C@@H](C1)C Z2865591915 [0,1,0,0,0,1|1,0,1]=4 741 B9R1.48 O=C1CCCCC(=O)C1 Z607750376 [0,1,0,0,0,1|0,0,0]=2 742 B9R1.48 O=C1CCCNC(=O)C1 Z1203731695 [0,1,0,0,0,1|0,0,1]=3 743 B9R1.49 CC1CCCC(NC1)C Z1203830904 [0,1,0,0,0,1|1,0,1]=4 744 B9R1.49 CC1CCS(=O)CCN1 Z1868316872 [0,1,0,0,0,1|1,0,0]=3 745 B9R1.49 CN1CCCC(CC1)N Z2310677587 [0,1,0,0,0,1|1,0,1]=4 746 B9R1.49 O=C1CCCC(=O)NC1 Z1255404954 [0,1,0,0,0,1|0,0,1]=3 747 B9R1.49 O=C1CCCC(CN1)O Z1255401193 [0,1,0,0,0,1|0,0,0]=2 748 B9R1.89 C#CC1CCCCNC1 Z2768767729 [0,1,0,0,0,1|1,0,1]=4 749 B9R1.89 C#CC1CCCNCC1 Z2740753678 [0,1,0,0,0,1|1,0,1]=4 750 B9R1.89 CCC1CCCCCN1 Z992736884 [0,1,0,0,0,1|1,0,1]=4 751 B9R1.89 CCC1CCCNCC1 Z425362302 [0,1,0,0,0,1|1,0,1]=4 752 B9R1.89 CCN1CCCNCC1 Z239604554 [0,1,0,0,0,1|2,0,0]=4 753 B9R1.89 CNC1CCCCCC1 Z102766800 [0,1,0,0,0,1|1,0,1]=4 754 B9R1.89 CNC1CCCNCC1 Z1171155633 [0,1,0,0,0,1|1,0,1]=4 755 B9R1.89 CNC1CCCOCC1 Z5794487564 [0,1,0,0,0,1|1,0,1]=4 756 B9R1.89 COC1CCCNCC1 Z2492774475 [0,1,0,0,0,1|0,0,2]=4 757 B9R1.89 CSC1CCCCNC1 Z1462950888 [0,1,0,0,0,1|0,1,1]=4 758 B9R1.89 NCC1CCCCCC1 Z415655096 [0,1,0,0,0,1|1,0,1]=4 759 B9R1.89 NCC1CCCOCC1 Z4438964521 [0,1,0,0,0,1|1,0,1]=4 760 B9R1.89 NCC1CCCSCC1 Z3037487975 [0,1,0,0,0,1|1,0,1]=4 761 B9R1.89 O/N=C\1/CCCCCN1 Z56928892 [0,1,0,0,0,1|0,0,1]=3 762 B9R1.89 O=CC1=CCCCCC1 Z1190318867 [0,1,0,0,0,1|0,0,0]=2 763 B9R1.89 O=CC1CCCCCC1 Z1079442748 [0,1,0,0,0,1|0,0,1]=3 764 B9R1.89 O=CC1CCCOCC1 Z1268606450 [0,1,0,0,0,1|0,0,1]=3 765 B9R1.89 O=CC1COCCOC1 Z1813175634 [0,1,0,0,0,1|1,0,1]=4 766 B9R1.89 O=CN1CCCNCC1 Z104510266 [0,1,0,0,0,1|1,0,0]=3 767 B9R1.89 OCC1CCCCCC1 Z992928672 [0,1,0,0,0,1|0,0,2]=4 768 B9R1.89 OCC1CCCCNC1 Z1318147457 [0,1,0,0,0,1|0,0,2]=4 769 B9R1.148 CC1(CCCCCC1)N Z1210869367 [0,1,0,0,0,1|1,0,1]=4 770 B9R1.148 CC1(CCCCCC1)O Z449370874 [0,1,0,0,0,1|0,0,2]=4 771 B9R1.148 CC1(CCCCNC1)C Z1504672380 [0,1,0,0,0,1|1,0,1]=4 772 B9R1.148 CC1(CCCNCC1)C Z1258846913 [0,1,0,0,0,1|1,0,1]=4 773 B9R1.148 CC1(CCCNCC1)O Z1945705132 [0,1,0,0,0,1|0,0,2]=4 774 B9R1.148 N=S1(=O)CCCCCC1 Z3307350620 [0,1,0,0,0,1|1,0,0]=3 775 B9R1.148 O=S1(=O)CCCNCC1 Z1165168006 [0,1,0,0,0,1|1,0,0]=3 776 B9R1.148 O=S1(=O)CCNNCC1 Z3017141486 [0,1,0,0,0,1|2,0,0]=4 777 B9R1.1 C#CC1CCN(CC1)C Z3301768750 [0,2,0,0,0,0|2,0,0]=4 778 B9R1.1 C=C1CCC(CC1)CN Z2889982961 [0,2,0,0,0,0|1,0,0]=3 779 B9R1.1 CC1CCC(=NO)CC1 Z49568435 [0,2,0,0,0,0|0,0,1]=3 780 B9R1.1 CC1CCC(CC1)C#N Z415654864 [0,2,0,0,0,0|1,0,1]=4 781 B9R1.1 CC1CCC(CC1)C=O Z1250055138 [0,2,0,0,0,0|0,0,1]=3 782 B9R1.1 CC1CCC(CC1)NN Z927192058 [0,2,0,0,0,0|1,0,1]=4 783 B9R1.1 CCC1CCC(=O)CC1 Z104475572 [0,2,0,0,0,0|0,0,0]=2 784 B9R1.1 CCN1CCC(CC1)N Z96092729 [0,2,0,0,0,0|2,0,0]=4 785 B9R1.1 CCN1CCC(CC1)O Z197264618 [0,2,0,0,0,0|2,0,0]=4 786 B9R1.1 CC[C@H]1CC[C@@H](CC1)N Z2205958759 [0,2,0,0,0,0|1,0,1]=4 787 B9R1.1 CN1CCC(=NO)CC1 Z119992494 [0,2,0,0,0,0|1,0,1]=4 788 B9R1.1 CN1CCC(CC1)C=O Z372839344 [0,2,0,0,0,0|1,0,1]=4 789 B9R1.1 CN1CCC(CC1)CO Z594219182 [0,2,0,0,0,0|2,0,0]=4 790 B9R1.1 CN1CCN(CC1)N=O Z1198157883 [0,2,0,0,0,0|2,0,0]=4 791 B9R1.1 CNC1CCC(CC1)O Z138503904 [0,2,0,0,0,0|0,0,2]=4 792 B9R1.1 CNC1CCN(CC1)C Z102766804 [0,2,0,0,0,0|2,0,0]=4 793 B9R1.1 CNC1CCS(=O)CC1 Z1259162055 [0,2,0,0,0,0|1,0,0]=3 794 B9R1.1 CN[C@H]1CC[C@H](CC1)O Z3241259883 [0,2,0,0,0,0|0,0,2]=4 795 B9R1.1 COC1CCC(CC1)N Z2284394857 [0,2,0,0,0,0|0,0,2]=4 796 B9R1.1 COC1CCC(CC1)O Z904962746 [0,2,0,0,0,0|0,0,2]=4 797 B9R1.1 C[C@H]1CC[C@@H](CC1)C=O Z1511765971 [0,2,0,0,0,0|0,0,1]=3 798 B9R1.1 N#CN1CCC(CC1)O Z1255400579 [0,2,0,0,0,0|2,0,0]=4 799 B9R1.1 N#C[C@H]1CC[C@@H](CC1)N Z1262687451 [0,2,0,0,0,0|1,0,1]=4 800 B9R1.1 N#C[C@H]1CC[C@H](CC1)N Z1486032476 [0,2,0,0,0,0|1,0,1]=4 801 B9R1.1 NCC1CCC(=O)NC1 Z2418414181 [0,2,0,0,0,0|1,0,0]=3 802 B9R1.1 NCC1CNC(=O)CO1 Z3235039166 [0,2,0,0,0,0|2,0,0]=4 803 B9R1.1 N[C@H]1CC[C@@H](CC1)CF Z3035094917 [0,2,0,0,0,0|1,0,1]=4 804 B9R1.1 N[C@H]1CC[C@@H](CC1)CO Z1203582309 [0,2,0,0,0,0|0,0,2]=4 805 B9R1.1 N[C@H]1CC[C@H](CC1)CO Z1203579954 [0,2,0,0,0,0|0,0,2]=4 806 B9R1.1 O=CC1CCC(=O)CC1 Z1198165293 [0,2,0,0,0,0|0,0,0]=2 807 B9R1.1 O=CC1CCC(CC1)F Z1813155376 [0,2,0,0,0,0|0,0,1]=3 808 B9R1.1 OCC1CCC(CC1)O Z1255451065 [0,2,0,0,0,0|0,0,2]=4 809 B9R1.2 C#CC1CCCN(C1)C Z3303704823 [0,2,0,0,0,0|2,0,0]=4 810 B9R1.2 C=C[C@@H]1CCC[C@H](C1)N Z3071811850 [0,2,0,0,0,0|1,0,1]=4 811 B9R1.2 CC1CC(CCO1)C=O Z1268606322 [0,2,0,0,0,0|1,0,1]=4 812 B9R1.2 CC1CCCC(C1)C#N Z415654834 [0,2,0,0,0,0|1,0,1]=4 813 B9R1.2 CC1CCCC(C1)C=O Z1217182161 [0,2,0,0,0,0|0,0,1]=3 814 B9R1.2 CCC1CC(=O)CCO1 Z1192338795 [0,2,0,0,0,0|1,0,0]=3 815 B9R1.2 CCC1CCCC(=O)C1 Z1201627363 [0,2,0,0,0,0|0,0,0]=2 816 B9R1.2 CCC1CCCC(C1)N Z1210580079 [0,2,0,0,0,0|1,0,1]=4 817 B9R1.2 CCC1CCCC(C1)O Z1192057272 [0,2,0,0,0,0|0,0,2]=4 818 B9R1.2 CCC1CCNC(=O)C1 Z1203732244 [0,2,0,0,0,0|1,0,0]=3 819 B9R1.2 CCN1CCCC(C1)N Z736883394 [0,2,0,0,0,0|2,0,0]=4 820 B9R1.2 CCN1CCCC(C1)O Z104478102 [0,2,0,0,0,0|2,0,0]=4 821 B9R1.2 CN1CCCC(C1)CCl Z1449592184 [0,2,0,0,0,0|2,0,0]=4 822 B9R1.2 CN1CCCC(C1)CO Z103740616 [0,2,0,0,0,0|2,0,0]=4 823 B9R1.2 CNC1CCCC(C1)C Z367452444 [0,2,0,0,0,0|1,0,1]=4 824 B9R1.2 CNC1CCCC(C1)O Z3064472236 [0,2,0,0,0,0|0,0,2]=4 825 B9R1.2 COC1CCCC(=O)N1 Z1203731823 [0,2,0,0,0,0|1,0,0]=3 826 B9R1.2 COC1CCCC(C1)N Z1192179498 [0,2,0,0,0,0|0,0,2]=4 827 B9R1.2 COC1CCCC(C1)O Z104476334 [0,2,0,0,0,0|0,0,2]=4 828 B9R1.2 CSC1CCCC(C1)N Z1219048788 [0,2,0,0,0,0|0,1,1]=4 829 B9R1.2 N#CC1CCCC(=O)C1 Z907709920 [0,2,0,0,0,0|0,0,0]=2 830 B9R1.2 NCC1CCCC(C1)F Z2429425744 [0,2,0,0,0,0|1,0,1]=4 831 B9R1.2 O=C1CC(CCN1)CO Z1255502253 [0,2,0,0,0,0|1,0,0]=3 832 B9R1.2 O=C1CCCC(N1)CO Z1198313433 [0,2,0,0,0,0|1,0,0]=3 833 B9R1.2 O=C1CNC[C@@H](N1)CO Z1203822229 [0,2,0,0,0,0|2,0,0]=4 834 B9R1.2 O=C1CNC[C@H](N1)CO Z1203822228 [0,2,0,0,0,0|2,0,0]=4 835 B9R1.2 O=CC1CCCC(C1)F Z1813182338 [0,2,0,0,0,0|0,0,1]=3 836 B9R1.2 O=NN1CCNC(=O)C1 Z1203748915 [0,2,0,0,0,0|2,0,0]=4 837 B9R1.6 BrC(=C1CCNCC1)Br Z4605543655 [0,2,0,0,0,0|2,0,0]=4 838 B9R1.6 CC(=O)C1=CNCCC1 Z238880918 [0,2,0,0,0,0|1,0,1]=4 839 B9R1.6 CC(=O)C1CCCCN1 Z1954800414 [0,2,0,0,0,0|1,0,1]=4 840 B9R1.6 CC(=O)C1CCCOC1 Z1259153006 [0,2,0,0,0,0|1,0,1]=4 841 B9R1.6 CC(=O)C1CCNCC1 Z1741977299 [0,2,0,0,0,0|1,0,1]=4 842 B9R1.6 CC(=O)C1CCOCC1 Z1178490124 [0,2,0,0,0,0|1,0,1]=4 843 B9R1.6 CC(=O)N1CCCOC1 Z2143251901 [0,2,0,0,0,0|2,0,0]=4 844 B9R1.6 CC(=O)[C@@H]1CCCCN1 Z1618016835 [0,2,0,0,0,0|1,0,1]=4 845 B9R1.6 CC(=O)[C@H]1CCCCN1 Z2234185612 [0,2,0,0,0,0|1,0,1]=4 846 B9R1.6 CC(N)C1CCCCC1 Z446020926 [0,2,0,0,0,0|1,0,1]=4 847 B9R1.6 CC(O)C1CCCCC1 Z445987098 [0,2,0,0,0,0|0,0,2]=4 848 B9R1.6 C[C@@H](O)C1CCCCC1 Z959151676 [0,2,0,0,0,0|0,0,2]=4 849 B9R1.6 FC(=C1CCNCC1)F Z2466331829 [0,2,0,0,0,0|2,0,0]=4 850 B9R1.6 N=C(N)C1CCCCC1 Z317027412 [0,2,0,0,0,0|1,0,1]=4 851 B9R1.6 N=C(N)N1CCCCC1 Z1582263025 [0,2,0,0,0,0|2,0,0]=4 852 B9R1.6 NC(=O)C1=CNCCC1 Z1201618199 [0,2,0,0,0,0|1,0,1]=4 853 B9R1.6 NC(=O)C1CCCCC1 Z33546516 [0,2,0,0,0,0|0,0,1]=3 854 B9R1.6 NC(=O)C1CCCCN1 Z90122010 [0,2,0,0,0,0|1,0,1]=4 855 B9R1.6 NC(=O)C1CCCNC1 Z85932258 [0,2,0,0,0,0|1,0,1]=4 856 B9R1.6 NC(=O)C1CCNCC1 Z1450533743 [0,2,0,0,0,0|1,0,1]=4 857 B9R1.6 NC(=O)C1CCOCC1 Z82670321 [0,2,0,0,0,0|1,0,1]=4 858 B9R1.6 NC(=O)N1CCCCC1 Z56917364 [0,2,0,0,0,0|1,0,0]=3 859 B9R1.6 NC(=O)N1CCNCC1 Z1473962055 [0,2,0,0,0,0|2,0,0]=4 860 B9R1.6 NC(=S)N1CCCCC1 Z56899022 [0,2,0,0,0,0|1,1,0]=4 861 B9R1.6 O=C(O)C1=CCCNC1 Z1198149389 [0,2,0,0,0,0|1,0,1]=4 862 B9R1.6 O=C(O)C1=CCCSC1 Z1172114103 [0,2,0,0,0,0|1,0,1]=4 863 B9R1.6 O=C(O)C1=COCCC1 Z1013753084 [0,2,0,0,0,0|1,0,1]=4 864 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [0,2,0,0,0,0|0,0,1]=3 865 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [0,2,0,0,0,0|1,0,1]=4 866 B9R1.6 O=C(O)C1CCCCO1 Z963633098 [0,2,0,0,0,0|1,0,1]=4 867 B9R1.6 O=C(O)C1CCCNC1 Z324553206 [0,2,0,0,0,0|1,0,1]=4 868 B9R1.6 O=C(O)C1CCCOC1 Z445214062 [0,2,0,0,0,0|1,0,1]=4 869 B9R1.6 O=C(O)C1CCCSC1 Z1198485079 [0,2,0,0,0,0|1,0,1]=4 870 B9R1.6 O=C(O)C1CCNCC1 Z104474390 [0,2,0,0,0,0|1,0,1]=4 871 B9R1.6 O=C(O)C1CCOCC1 Z85923421 [0,2,0,0,0,0|1,0,1]=4 872 B9R1.6 O=C(O)C1CCSCC1 Z826531634 [0,2,0,0,0,0|1,0,1]=4 873 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [0,2,0,0,0,0|1,0,1]=4 874 B9R1.6 OB(O)C1CCCCC1 Z56789446 [0,2,0,0,0,0|0,0,2]=4 875 B9R1.8 C#CCN1CCCCC1 Z103698760 [0,2,0,0,0,0|2,0,0]=4 876 B9R1.8 CCNC1CCCCC1 Z235346963 [0,2,0,0,0,0|1,0,1]=4 877 B9R1.8 CNCC1CCCCC1 Z102767074 [0,2,0,0,0,0|1,0,1]=4 878 B9R1.8 ClCCN1CCCCC1 Z235354563 [0,2,0,0,0,0|2,0,0]=4 879 B9R1.8 N#CC=C1CCOCC1 Z851014296 [0,2,0,0,0,0|2,0,0]=4 880 B9R1.8 N#CCC1=CCCCC1 Z1150307002 [0,2,0,0,0,0|1,0,1]=4 881 B9R1.8 N#CCC1CCCCC1 Z295382924 [0,2,0,0,0,0|1,0,1]=4 882 B9R1.8 N#CCN1CCCCC1 Z169223032 [0,2,0,0,0,0|2,0,0]=4 883 B9R1.8 NCC=C1CCSCC1 Z3304733298 [0,2,0,0,0,0|2,0,0]=4 884 B9R1.8 NCCC1CCCCC1 Z367451182 [0,2,0,0,0,0|1,0,1]=4 885 B9R1.8 O=C=NC1CCOCC1 Z1037339760 [0,2,0,0,0,0|1,0,1]=4 886 B9R1.8 O=CC=C1CCCCC1 Z1251356876 [0,2,0,0,0,0|0,0,0]=2 887 B9R1.8 O=CCC1CCCCC1 Z993017728 [0,2,0,0,0,0|0,0,1]=3 888 B9R1.8 O=CCC1CCCCO1 Z1511748073 [0,2,0,0,0,0|1,0,1]=4 889 B9R1.8 O=CCC1CCCOC1 Z1198309923 [0,2,0,0,0,0|1,0,1]=4 890 B9R1.8 O=CCC1CCOCC1 Z1178491139 [0,2,0,0,0,0|1,0,1]=4 891 B9R1.8 OCCC1CCCCC1 Z397587116 [0,2,0,0,0,0|0,0,2]=4 892 B9R1.8 OCCN1CCCCC1 Z104479032 [0,2,0,0,0,0|1,0,1]=4 893 B9R1.15 C#CC1CCCCC1O Z1725997828 [0,2,0,0,0,0|0,0,2]=4 894 B9R1.15 CC1CCCCC1C#N Z415654838 [0,2,0,0,0,0|1,0,1]=4 895 B9R1.15 CC1CCCCC1C=O Z1268606365 [0,2,0,0,0,0|0,0,1]=3 896 B9R1.15 CC1CCCCC1CN Z415655074 [0,2,0,0,0,0|1,0,1]=4 897 B9R1.15 CCC1CCCCC1N Z368844574 [0,2,0,0,0,0|1,0,1]=4 898 B9R1.15 CCC1CCCCC1O Z104476198 [0,2,0,0,0,0|0,0,2]=4 899 B9R1.15 CCC1CCCNC1=O Z1203731521 [0,2,0,0,0,0|1,0,0]=3 900 B9R1.15 CCC1NCCNC1=O Z57663834 [0,2,0,0,0,0|2,0,0]=4 901 B9R1.15 CCN1CCCNC1=O Z1203733831 [0,2,0,0,0,0|2,0,0]=4 902 B9R1.15 CCN1CCNCC1=O Z975809904 [0,2,0,0,0,0|2,0,0]=4 903 B9R1.15 CNC1CCCCC1C Z324553050 [0,2,0,0,0,0|1,0,1]=4 904 B9R1.15 CNC1CCCNC1=O Z1795818556 [0,2,0,0,0,0|1,0,0]=3 905 B9R1.15 COC1CCCCC1N Z285187676 [0,2,0,0,0,0|0,0,2]=4 906 B9R1.15 COC1CCCCC1O Z425453594 [0,2,0,0,0,0|0,0,2]=4 907 B9R1.15 CO[C@@H]1CCCC[C@@H]1N Z4658510162 [0,2,0,0,0,0|0,0,2]=4 908 B9R1.15 CO[C@@H]1CCCC[C@H]1O Z3344357599 [0,2,0,0,0,0|0,0,2]=4 909 B9R1.15 CSC1CCCCC1=O Z732208578 [0,2,0,0,0,0|0,0,0]=2 910 B9R1.15 CS[C@H]1CCCC[C@@H]1N Z2182116696 [0,2,0,0,0,0|0,1,1]=4 911 B9R1.15 N#CC1=C(CCCC1)Cl Z1251189979 [0,2,0,0,0,0|1,0,1]=4 912 B9R1.15 N#CC1=C(CCCC1)N Z826654472 [0,2,0,0,0,0|1,0,1]=4 913 B9R1.15 N#CC1CCCCC1=O Z1137167009 [0,2,0,0,0,0|0,0,0]=2 914 B9R1.15 N#CC1CNCCC1=O Z1741977338 [0,2,0,0,0,0|1,0,0]=3 915 B9R1.15 NCC1CCCCC1O Z409444222 [0,2,0,0,0,0|0,0,2]=4 916 B9R1.15 NCC1CCCNC1=O Z2289798362 [0,2,0,0,0,0|1,0,0]=3 917 B9R1.15 NC[C@@H]1CCCC[C@@H]1O Z2306746656 [0,2,0,0,0,0|0,0,2]=4 918 B9R1.15 O=C1NCCCC1CO Z1203732010 [0,2,0,0,0,0|1,0,0]=3 919 B9R1.15 O=C1NCCOC1CO Z2239006921 [0,2,0,0,0,0|2,0,0]=4 920 B9R1.15 O=CC1CCCCC1F Z1813140630 [0,2,0,0,0,0|0,0,1]=3 921 B9R1.15 OCC1CCCCC1O Z1198163949 [0,2,0,0,0,0|0,0,2]=4 922 B9R1.118 CC1(CCCCC1)C#N Z1255495336 [0,2,0,0,0,0|1,0,1]=4 923 B9R1.118 CC1(CCCCC1)C=O Z1198343650 [0,2,0,0,0,0|0,0,1]=3 924 B9R1.118 CC1(CCCCC1)CN Z1413780464 [0,2,0,0,0,0|1,0,1]=4 925 B9R1.118 CC1(CCCCC1)CO Z1201620047 [0,2,0,0,0,0|0,0,2]=4 926 B9R1.118 CC1(CCCCO1)C=O Z2178581866 [0,2,0,0,0,0|1,0,1]=4 927 B9R1.118 CC1(CCOCC1)C=O Z1255452107 [0,2,0,0,0,0|1,0,1]=4 928 B9R1.118 CCC1(CCCCC1)N Z2235790648 [0,2,0,0,0,0|1,0,1]=4 929 B9R1.118 CCC1(CCCCC1)O Z449370576 [0,2,0,0,0,0|0,0,2]=4 930 B9R1.118 CNC1(CCCCC1)C Z4646023133 [0,2,0,0,0,0|1,0,1]=4 931 B9R1.118 N#CC1(CCCCC1)N Z56968513 [0,2,0,0,0,0|1,0,1]=4 932 B9R1.118 NC1(CCCCC1)CO Z2417556977 [0,2,0,0,0,0|0,0,2]=4 933 B9R1.118 NCC1(CCCCC1)Br Z1982417702 [0,2,0,0,0,0|1,0,1]=4 934 B9R1.118 NCC1(CCCCC1)N Z235344715 [0,2,0,0,0,0|1,0,1]=4 935 B9R1.118 NCC1(CCCCC1)O Z363991148 [0,2,0,0,0,0|0,0,2]=4 936 B9R1.118 O=CC1(CCCCC1)Br Z1255439614 [0,2,0,0,0,0|0,0,1]=3 937 B9R1.118 O=CC1(CCCCC1)Cl Z1251357068 [0,2,0,0,0,0|0,0,1]=3 938 B9R1.118 O=CC1(CCOCC1)Cl Z1511915339 [0,2,0,0,0,0|1,0,1]=4 939 B9R1.10 CC1(CCC(=O)CC1)O Z1255440285 [0,2,0,0,0,0|0,0,0]=2 940 B9R1.10 CC1(CCC(=O)NC1)C Z1203731224 [0,2,0,0,0,0|1,0,0]=3 941 B9R1.10 CC1(CCC(CC1)N)C Z1198179746 [0,2,0,0,0,0|1,0,1]=4 942 B9R1.10 CC1(CCC(CC1)O)N Z3216195539 [0,2,0,0,0,0|0,0,2]=4 943 B9R1.10 CC1(CCC(CC1)O)O Z1813153932 [0,2,0,0,0,0|0,0,2]=4 944 B9R1.10 CC1(CNC(=O)CO1)C Z1509200706 [0,2,0,0,0,0|2,0,0]=4 945 B9R1.10 CC1CCC(CC1)(C)N Z1201055255 [0,2,0,0,0,0|1,0,1]=4 946 B9R1.10 CN1CCC(CC1)(C)N Z1688198419 [0,2,0,0,0,0|2,0,0]=4 947 B9R1.10 CN1CCC(CC1)(C)O Z600507484 [0,2,0,0,0,0|2,0,0]=4 948 B9R1.10 C[C@@]1(CC[C@H](CC1)N)F Z3790481810 [0,2,0,0,0,0|1,0,1]=4 949 B9R1.10 N=S1(=O)CCC(CC1)N Z4761632957 [0,2,0,0,0,0|1,0,0]=3 950 B9R1.10 N=S1(=O)CCC(CC1)O Z4202670484 [0,2,0,0,0,0|1,0,0]=3 951 B9R1.10 O=S1(=O)CCC(CC1)O Z501749164 [0,2,0,0,0,0|1,0,0]=3 952 B9R1.10 O=S1(=O)CCN(CC1)O Z1198266896 [0,2,0,0,0,0|2,0,0]=4 953 B9R1.10 OC1CCC(CC1)(F)F Z1198272328 [0,2,0,0,0,0|0,0,2]=4 954 B9R1.69 CC1CC(=O)CCN1C Z825754016 [0,2,0,0,0,0|1,0,0]=3 955 B9R1.69 CC1CC(CCC1O)N Z1203641685 [0,2,0,0,0,0|0,0,2]=4 956 B9R1.69 CC1CC(CCN1C)N Z825754018 [0,2,0,0,0,0|2,0,0]=4 957 B9R1.69 CC1CCC(=O)C(C1)C Z854046072 [0,2,0,0,0,0|0,0,0]=2 958 B9R1.69 CC1CCC(C(=O)C1)C Z1238548176 [0,2,0,0,0,0|0,0,0]=2 959 B9R1.69 CC1CCC(C(=O)N1)C Z1203817414 [0,2,0,0,0,0|1,0,0]=3 960 B9R1.69 CC1CCC(C(C1)C)N Z854046330 [0,2,0,0,0,0|1,0,1]=4 961 B9R1.69 CC1CCC(C(C1)C)O Z854051758 [0,2,0,0,0,0|0,0,2]=4 962 B9R1.69 CC1CCC(C(C1)O)C Z1201617039 [0,2,0,0,0,0|0,0,2]=4 963 B9R1.69 CC1CCC(CC1C)O Z1201617040 [0,2,0,0,0,0|0,0,2]=4 964 B9R1.69 CC1CN(CCC1=O)C Z825753356 [0,2,0,0,0,0|1,0,0]=3 965 B9R1.69 CC1CN(CCC1N)C Z825754008 [0,2,0,0,0,0|2,0,0]=4 966 B9R1.69 CC1CNC(=O)C(C1)C Z1203733670 [0,2,0,0,0,0|1,0,0]=3 967 B9R1.69 CC1NC(=O)CCC1N Z1509112048 [0,2,0,0,0,0|1,0,0]=3 968 B9R1.69 CN1CC(CCC1=O)O Z1504678538 [0,2,0,0,0,0|1,0,0]=3 969 B9R1.69 CN1CC(CNC1=O)O Z1813208409 [0,2,0,0,0,0|2,0,0]=4 970 B9R1.69 CN1CCC(CC1=O)N Z1795817781 [0,2,0,0,0,0|1,0,0]=3 971 B9R1.69 CN1CCN(C(=O)C1)C Z4270926764 [0,2,0,0,0,0|2,0,0]=4 972 B9R1.69 NC1CCC(=O)NC1=O Z1474026683 [0,2,0,0,0,0|1,0,1]=4 973 B9R1.69 NC1CC[C@H]([C@H](C1)O)O Z2936002015 [0,2,0,0,0,0|0,0,2]=4 974 B9R1.3 CC1=C(C(CCC1)N)C Z3814443111 [0,2,0,0,0,0|1,0,1]=4 975 B9R1.3 CC1CCCC(=O)C1C Z1198319146 [0,2,0,0,0,0|0,0,0]=2 976 B9R1.3 CC1CCCC(C1C)N Z104478930 [0,2,0,0,0,0|1,0,1]=4 977 B9R1.3 CC1CCCC(C1N)C Z359419654 [0,2,0,0,0,0|1,0,1]=4 978 B9R1.3 CC1CCCC(C1N)O Z1509035391 [0,2,0,0,0,0|0,0,2]=4 979 B9R1.3 CC1CCCC(C1O)C Z335244846 [0,2,0,0,0,0|0,0,2]=4 980 B9R1.3 CC1CCNC(=O)C1N Z1203587127 [0,2,0,0,0,0|1,0,0]=3 981 B9R1.3 CC1CNCC(=O)N1C Z3064472006 [0,2,0,0,0,0|2,0,0]=4 982 B9R1.3 CC1CNCC(S1=O)C Z2087755672 [0,2,0,0,0,0|2,0,0]=4 983 B9R1.3 CC1NCCN(C1=O)C Z1742055046 [0,2,0,0,0,0|2,0,0]=4 984 B9R1.3 CC1NCCS(=O)C1C Z1229798426 [0,2,0,0,0,0|2,0,0]=4 985 B9R1.3 CN1CCCC(C1=O)N Z1203581592 [0,2,0,0,0,0|1,0,0]=3 986 B9R1.3 C[C@@H]1NCCC(=O)[C@H]1C Z4513729412 [0,2,0,0,0,0|1,0,0]=3 987 B9R1.3 NC1CCCN(C1=O)O Z1203581684 [0,2,0,0,0,0|1,0,0]=3 988 B9R1.3 N[C@@H]1CCC[C@H]([C@H]1O)O Z4497061557 [0,2,0,0,0,0|0,0,2]=4 989 B9R1.34 CC1CC(=O)NC(=O)C1 Z1041181212 [0,2,0,0,0,0|1,0,1]=4 990 B9R1.34 CC1CC(CC(C1)N)C Z1203580437 [0,2,0,0,0,0|1,0,1]=4 991 B9R1.34 CC1CC(CC(C1)O)C Z1147526321 [0,2,0,0,0,0|0,0,2]=4 992 B9R1.34 NC1CC(=O)NC(=O)C1 Z2867491050 [0,2,0,0,0,0|1,0,1]=4 993 B9R1.34 N[C@@H]1C[C@@H](C[C@@H](C1)O)O Z4512858324 [0,2,0,0,0,0|0,0,2]=4 994 B9R1.34 N[C@H]1C[C@H](C[C@H](C1)N)N Z4632759870 [0,2,0,0,0,0|1,0,1]=4 995 B9R1.66 CC1(CCCC(C1)O)C Z1198148603 [0,2,0,0,0,0|0,0,2]=4 996 B9R1.66 CC1(CCNC(=O)C1)C Z1203732167 [0,2,0,0,0,0|1,0,0]=3 997 B9R1.66 CC1(CNCC(=O)N1)C Z2867580462 [0,2,0,0,0,0|2,0,0]=4 998 B9R1.66 CC1(COCC(=O)N1)C Z1198274805 [0,2,0,0,0,0|2,0,0]=4 999 B9R1.66 CC1(CS(=O)CCN1)C Z1270502902 [0,2,0,0,0,0|2,0,0]=4 1000 B9R1.66 CC1CCCC(C1)(C)O Z449370622 [0,2,0,0,0,0|0,0,2]=4 1001 B9R1.66 CC1CS(=O)(=O)CCN1 Z1203735387 [0,2,0,0,0,0|2,0,0]=4 1002 B9R1.66 NC1CCCC(C1)(F)F Z1443588486 [0,2,0,0,0,0|1,0,1]=4 1003 B9R1.66 NC1CCCS(=O)(=O)C1 Z1266933919 [0,2,0,0,0,0|1,0,0]=3 1004 B9R1.66 O=C1CC(CCN1)(F)F Z1198724133 [0,2,0,0,0,0|1,0,0]=3 1005 B9R1.66 O=C1CCCS(=O)(=O)C1 Z1065610146 [0,2,0,0,0,0|1,0,0]=3 1006 B9R1.66 O=C1CCCS(=O)(=O)N1 Z1201624740 [0,2,0,0,0,0|2,0,0]=4 1007 B9R1.66 O=C1CS(=O)(=O)CCN1 Z1203748697 [0,2,0,0,0,0|2,0,0]=4 1008 B9R1.66 O=S1(=O)CCCC(C1)O Z1172097926 [0,2,0,0,0,0|1,0,0]=3 1009 B9R1.40 CC1(CCCCC1=O)C Z1238550479 [0,2,0,0,0,0|0,0,0]=2 1010 B9R1.40 CC1(CCCCC1N)C Z1203579141 [0,2,0,0,0,0|1,0,1]=4 1011 B9R1.40 CC1(CCCCC1O)C Z1350656299 [0,2,0,0,0,0|0,0,2]=4 1012 B9R1.40 CC1(CNCCS1=O)C Z1380033210 [0,2,0,0,0,0|2,0,0]=4 1013 B9R1.40 CC1(NCCOC1=O)C Z406682076 [0,2,0,0,0,0|2,0,0]=4 1014 B9R1.40 CC1(SCCNC1=O)C Z1203732470 [0,2,0,0,0,0|2,0,0]=4 1015 B9R1.40 CC1CCCCC1(C)O Z449370784 [0,2,0,0,0,0|0,0,2]=4 1016 B9R1.40 CC1CNCCS1(=N)=O Z4655755775 [0,2,0,0,0,0|2,0,0]=4 1017 B9R1.40 CC1CNCCS1(=O)=O Z1704732719 [0,2,0,0,0,0|2,0,0]=4 1018 B9R1.40 CN1CCCCS1(=O)=O Z2205223804 [0,2,0,0,0,0|2,0,0]=4 1019 B9R1.40 NC1CCCCC1(F)F Z1415893909 [0,2,0,0,0,0|1,0,1]=4 1020 B9R1.40 O=C1NCCCC1(Cl)Cl Z1255372866 [0,2,0,0,0,0|1,0,0]=3 1021 B7R1.21 CCCC1(CC1)N Z3072982019 [0,0,1,1,0,0|1,0,1]=4 1022 B7R1.22 CNC(=N)C1CC1 Z2120060845 [0,0,1,1,0,0|2,0,0]=4 1023 B7R1.22 CNC(=O)C1CC1 Z32016401 [0,0,1,1,0,0|1,0,0]=3 1024 B7R1.22 NNC(=O)C1CC1 Z56891400 [0,0,1,1,0,0|2,0,0]=4 1025 B7R1.22 O=C(CCl)C1CC1 Z1205657701 [0,0,1,1,0,0|1,0,0]=3 1026 B7R1.22 O=C(CO)C1CC1 Z1172087188 [0,0,1,1,0,0|1,0,0]=3 1027 B7R1.22 O=C(NO)C1CC1 Z59183989 [0,0,1,1,0,0|2,0,0]=4 1028 B7R1.25 CCC1(CCC1)N Z1333043532 [0,0,1,1,0,0|1,0,1]=4 1029 B7R1.7 CCCCC1CO1 Z1020679810 [0,0,1,1,0,0|0,0,2]=4 1030 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,0,1,1,0,0|0,0,0]=2 1031 B7R1.12 CC1CC1C(=O)N Z33546780 [0,0,1,1,0,0|1,0,0]=3 1032 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,0,1,1,0,0|1,0,0]=3 1033 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,0,1,1,0,0|1,0,0]=3 1034 B7R1.18 CC(O)C1CCC1 Z1198149695 [0,0,1,1,0,0|0,0,2]=4 1035 B7R1.18 N=C(N)C1CCC1 Z1532540511 [0,0,1,1,0,0|2,0,0]=4 1036 B7R1.18 NC(=O)C1CCC1 Z33546656 [0,0,1,1,0,0|1,0,0]=3 1037 B7R1.18 NC(=O)C1CNC1 Z2754447740 [0,0,1,1,0,0|2,0,0]=4 1038 B7R1.18 O=C(O)C1CCC1 Z104472264 [0,0,1,1,0,0|1,0,0]=3 1039 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,0,1,1,0,0|2,0,0]=4 1040 B7R1.18 O=C(O)C1CNC1 Z1171217434 [0,0,1,1,0,0|2,0,0]=4 1041 B7R1.18 O=C(O)C1CSC1 Z1205495555 [0,0,1,1,0,0|2,0,0]=4 1042 B7R1.20 CC(=O)CC1CC1 Z1198160502 [0,0,1,1,0,0|0,0,0]=2 1043 B7R1.20 NC(=O)CC1CC1 Z365255854 [0,0,1,1,0,0|1,0,0]=3 1044 B7R1.20 NC(=O)NC1CC1 Z57000532 [0,0,1,1,0,0|2,0,0]=4 1045 B7R1.20 O=C(O)CC1CC1 Z234893653 [0,0,1,1,0,0|1,0,0]=3 1046 B7R1.24 C1=CCCNCC1 Z1255363448 [0,0,1,1,0,0|2,0,0]=4 1047 B7R1.24 C1CCCNCC1 Z57127566 [0,0,1,1,0,0|1,0,1]=4 1048 B7R1.24 C1CCNOCC1 Z1824482753 [0,0,1,1,0,0|1,0,1]=4 1049 B7R2.13 C1=CC2OC2C1 Z1238546190 [1,0,0,1,0,0|1,0,1]=4 1050 B7R2.13 C1CC2CC2N1 Z1964347529 [1,0,0,1,0,0|1,0,0]=3 1051 B7R2.13 C1CC2OC2C1 Z255149904 [1,0,0,1,0,0|1,0,0]=3 1052 B7R2.13 C1NCC2C1C2 Z1270630267 [1,0,0,1,0,0|1,0,0]=3 1053 B9R2.6 CC12CCCCC1O2 Z1255380027 [0,0,0,1,0,1|1,0,1]=4 1054 B9R2.6 NC12CCCCC1C2 Z2694811356 [0,0,0,1,0,1|1,0,1]=4 1055 B9R2.6 N[C@@]12CCOC[C@@H]1C2 Z4379876205 [0,0,0,1,0,1|1,0,1]=4 1056 B9R2.7 CC1CC2C1CNC2 Z3035824168 [0,0,0,1,0,1|1,0,1]=4 1057 B9R2.7 NC1CC2C1CCC2 Z2866593007 [0,0,0,1,0,1|1,0,1]=4 1058 B9R2.7 N[C@@H]1C[C@H]2[C@@H]1COC2 Z2953725599 [0,0,0,1,0,1|1,0,1]=4 1059 B9R2.7 O=C1NC2C1CCC2 Z1250169685 [0,0,0,1,0,1|0,0,0]=2 1060 B9R2.7 O=C1N[C@H]2[C@@H]1CCC2 Z2307158154 [0,0,0,1,0,1|0,0,0]=2 1061 B9R2.7 O[C@@H]1C[C@@H]2[C@H]1CCN2 Z4343629833 [0,0,0,1,0,1|0,0,2]=4 1062 B9R2.7 O[C@@H]1C[C@H]2[C@@H]1CCN2 Z5042714030 [0,0,0,1,0,1|0,0,2]=4 1063 B9R2.14 C[C@]12CC[C@H]1CCN2 Z3409517740 [0,0,0,1,0,1|1,0,1]=4 1064 B9R2.14 N[C@]12CC[C@H]1CNC2 Z4989061547 [0,0,0,1,0,1|1,0,1]=4 1065 B9R2.20 O=C1NC[C@H]2[C@@H]1CC2 Z3445405198 [0,0,0,1,0,1|0,0,0]=2 1066 B9R2.21 O=C1CC2CC2CN1 Z2941655402 [0,0,0,1,0,1|0,0,0]=2 1067 B9R2.33 N[C@H]1C[C@@H]2CC[C@@H]2C1 Z4368396323 [0,0,0,1,0,1|1,0,1]=4 1068 B9R2.33 O=C1C[C@@H]2C=C[C@@H]2N1 Z4138892911 [0,0,0,1,0,1|0,0,2]=4 1069 B9R2.33 O=C1NC2CCC2O1 Z1203735217 [0,0,0,1,0,1|1,0,0]=3 1070 B9R2.51 C1CCC2CC(C1)N2 Z5134646662 [0,0,0,1,0,1|1,0,1]=4 1071 B9R2.52 C1CCC2CC2NC1 Z4496337315 [0,0,0,1,0,1|1,0,1]=4 1072 B9R2.52 C1CCC2OC2CC1 Z278165186 [0,0,0,1,0,1|0,0,2]=4 1073 B9R2.68 C1CC2CCC(C2)N1 Z3719007183 [0,0,0,1,0,1|1,0,1]=4 1074 B9R2.68 C1CC2CNCC1C2 Z1359881938 [0,0,0,1,0,1|1,0,1]=4 1075 B9R2.68 C1CC2CNCC1N2 Z1741980016 [0,0,0,1,0,1|1,0,1]=4 1076 B9R2.68 C1CC2CNCC1O2 Z1198181219 [0,0,0,1,0,1|0,0,2]=4 1077 B9R2.68 C1CC2COCC1N2 Z1203732330 [0,0,0,1,0,1|1,0,1]=4 1078 B9R2.68 C1CC2CSCC1N2 Z3013893876 [0,0,0,1,0,1|1,0,1]=4 1079 B9R2.68 C1CN2CCC(C2)N1 Z2234631228 [0,0,0,1,0,1|2,0,0]=4 1080 B9R2.123 NC1C2C1CCCC2 Z1335657662 [0,0,0,1,0,1|1,0,1]=4 1081 B9R2.123 NC1C2C1COCC2 Z3053117649 [0,0,0,1,0,1|1,0,1]=4 1082 B9R2.47 O=CC1CC2CC2C1 Z1407035097 [0,1,0,1,0,0|0,0,1]=3 1083 B9R2.49 C1CC2CCC1NN2 Z2301499854 [0,1,0,1,0,0|1,0,1]=4 1084 B9R2.49 C1CC2CCC1NO2 Z2712744350 [0,1,0,1,0,0|0,0,2]=4 1085 B9R2.50 C1CC[C@H]2NC[C@H]2C1 Z2309997705 [0,1,0,1,0,0|1,0,1]=4 1086 B9R2.56 NC[C@@]12CCC[C@@H]1C2 Z2896171841 [0,1,0,1,0,0|1,0,1]=4 1087 B9R2.56 O=C[C@@]12CCC[C@@H]1C2 Z2900769719 [0,1,0,1,0,0|0,0,1]=3 1088 B9R2.65 NCC1C2C1CCC2 Z3676755604 [0,1,0,1,0,0|1,0,1]=4 1089 B9R2.65 O=CC1C2C1CCC2 Z1464130480 [0,1,0,1,0,0|0,0,1]=3 1090 B9R2.65 O=CC1C2C1COC2 Z1511806975 [0,1,0,1,0,0|1,0,1]=4 1091 B9R2.65 O=C[C@@H]1[C@@H]2[C@H]1COC2 Z1511809905 [0,1,0,1,0,0|1,0,1]=4 1092 B9R2.70 O=CC1=NOC2C1C2 Z4866644211 [0,1,0,1,0,0|2,0,0]=4 1093 B9R2.174 C1CCC2(CC1)CO2 Z359231458 [0,1,0,1,0,0|0,0,2]=4 1094 B9R2.40 CC12CCC(=O)C1O2 Z1513595022 [0,1,0,1,0,0|1,0,0]=3 1095 B9R2.110 CC12CCC(N1)CC2 Z3212174238 [0,1,0,1,0,0|1,0,1]=4 1096 B9R2.110 NC12CCC(C1)CC2 Z1650039442 [0,1,0,1,0,0|1,0,1]=4 1097 B9R2.110 NC12CCN(C1)CC2 Z2724010463 [0,1,0,1,0,0|2,0,0]=4 1098 B9R2.110 OC12CCN(C1)CC2 Z4459532026 [0,1,0,1,0,0|2,0,0]=4 1099 B9R2.8 CN1CC2CC(C1)N2 Z3013893659 [0,1,0,1,0,0|2,0,0]=4 1100 B9R2.25 O=C1NC(=O)C2C1C2 Z491654166 [0,1,0,1,0,0|1,0,1]=4 1101 B9R2.39 NC1CC2CCC1C2 Z1250132652 [0,1,0,1,0,0|1,0,1]=4 1102 B9R2.39 NC1CC2CCC1O2 Z1203586766 [0,1,0,1,0,0|0,0,2]=4 1103 B9R2.39 NC1CN2CCC1C2 Z3490555917 [0,1,0,1,0,0|2,0,0]=4 1104 B9R2.39 N[C@@H]1C[C@H]2CC[C@@H]1O2 Z2442099637 [0,1,0,1,0,0|0,0,2]=4 1105 B9R2.39 N[C@H]1CC2CCC1O2 Z1270498447 [0,1,0,1,0,0|0,0,2]=4 1106 B9R2.39 O=C1NC2CCC1C2 Z1238833321 [0,1,0,1,0,0|1,0,0]=3 1107 B9R2.39 OC1CC2CCC1C2 Z104479470 [0,1,0,1,0,0|0,0,2]=4 1108 B9R2.39 OC1CC2CCC1O2 Z1255395449 [0,1,0,1,0,0|0,0,2]=4 1109 B9R2.39 OC1CN2CCC1C2 Z1270446274 [0,1,0,1,0,0|2,0,0]=4 1110 B9R2.119 C[P@@]1(=O)C[C@H]2O[C@H]2C1 Z3727481718 [0,1,0,1,0,0|2,0,0]=4 1111 B9R2.119 O=S1(=O)CC2OC2C1 Z56941977 [0,1,0,1,0,0|2,0,0]=4 1112 B9R2.119 O=S1(=O)CC2SC2C1 Z57056473 [0,1,0,1,0,0|2,0,0]=4 1113 B5R1.1 C1=CCNC1 Z2306624771 [1,0,0,0,1,0|1,0,1]=4 1114 B5R1.2 NC1CCC1 Z1266823158 [0,0,0,0,2,0|1,0,1]=4 1115 B5R1.2 O=C1CCO1 Z1089877620 [0,0,0,0,2,0|1,0,0]=3 1116 B9R1.50 CC1CCCCCCN1 Z3487835965 [0,0,0,0,0,2|1,0,1]=4 1117 B9R1.50 CN1CCCNCCC1 Z2310677612 [0,0,0,0,0,2|2,0,0]=4 1118 B9R1.50 NC1CCCCCCC1 Z104478188 [0,0,0,0,0,2|1,0,1]=4 1119 B9R1.50 O=C1CCCCCCC1 Z104474712 [0,0,0,0,0,2|0,0,0]=2 1120 B9R1.50 O=C1CCCCNCC1 Z5186715583 [0,0,0,0,0,2|0,0,0]=2 1121 B9R1.50 O=C1CCNCCCN1 Z1262578602 [0,0,0,0,0,2|0,0,0]=2 1122 B9R1.50 OC1CCCCCCC1 Z104472780 [0,0,0,0,0,2|0,0,2]=4