0 B6R0.6 BrCCCCCBr SY004544 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.6 BrCCNCCBr SY018108 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.6 C#CCCCCI SY047667 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.6 C#CCCCCN SY069749 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.6 C#CCCCCO SY020332 [0,0,0,0,0,0|0,1,2]=3 5 B6R0.6 C=CCCCCO SY020861 [0,0,0,0,0,0|0,1,2]=3 6 B6R0.6 C=CCCCON SY281553 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.6 C=CCCCON SY281554 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.6 CCCCCNN SY048085 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.6 CCCCCON SY281671 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.6 CCCCCON SY281672 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.6 CCCCOCCl SY264650 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.6 CCNCCCO SY023800 [0,0,0,0,0,0|1,1,0]=2 13 B6R0.6 CCOCCNN SY048091 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.6 CNCCCCO SY117259 [0,0,0,0,0,0|1,1,0]=2 15 B6R0.6 COCCCCCl SY015495 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.6 COCCCNN SY048087 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.6 COCCCON SY201326 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.6 COCCCON SY281583 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.6 COCCN=[N+]=[N-] SY262046 [0,0,0,0,0,0|4,0,0]=4 20 B6R0.6 COCOCCN SY250694 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.6 C\C=C\CCCO SY066633 [0,0,0,0,0,0|0,1,2]=3 22 B6R0.6 ClCCCCCBr SY048983 [0,0,0,0,0,0|2,0,0]=2 23 B6R0.6 ICCCCCI SY048751 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.6 N#CCCCCCl SY004990 [0,0,0,0,0,0|2,0,1]=3 25 B6R0.6 N#CCCCCN SY040472 [0,0,0,0,0,0|2,0,1]=3 26 B6R0.6 NCCCCCO SY049614 [0,0,0,0,0,0|1,1,0]=2 27 B6R0.6 NCCOCCBr SY261989 [0,0,0,0,0,0|3,0,0]=3 28 B6R0.6 NCCOCCN SY052726 [0,0,0,0,0,0|3,0,0]=3 29 B6R0.6 O=CCCCCCl SY024458 [0,0,0,0,0,0|1,1,1]=3 30 B6R0.6 O=CCCCCO SY047027 [0,0,0,0,0,0|1,1,1]=3 31 B6R0.6 O=CNCCCO SY261924 [0,0,0,0,0,0|2,1,1]=4 32 B6R0.6 OCCCCCCl SY050042 [0,0,0,0,0,0|1,1,0]=2 33 B6R0.6 OCCOCCBr SY145932 [0,0,0,0,0,0|2,1,0]=3 34 B5R0.2 C#CCCCO SY007472 [1,0,0,0,0,0|0,1,2]=4 35 B5R0.2 C#CCCOC SY261977 [1,0,0,0,0,0|1,0,2]=4 36 B5R0.2 C=CCCCCl SY115227 [1,0,0,0,0,0|1,0,2]=4 37 B5R0.2 C=CCCCN SY039810 [1,0,0,0,0,0|1,0,2]=4 38 B5R0.2 CCC#CCBr SY045110 [1,0,0,0,0,0|1,0,2]=4 39 B5R0.2 CCC#CCO SY048461 [1,0,0,0,0,0|0,1,2]=4 40 B5R0.2 CCCCNN SY048097 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.2 CCCCON SY013356 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.2 CCCCON SY019069 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.2 CNCCSC SY020435 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.2 COCCNN SY048076 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.2 ClCCCCI SY049669 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.2 ICCCCI SY037746 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.2 N#CCCCBr SY012834 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.2 N#CCCCCl SY001790 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.2 NCCCCBr SY113500 [1,0,0,0,0,0|2,0,0]=3 50 B5R0.2 NCCCCN SY004150 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.2 NCCCCO SY001196 [1,0,0,0,0,0|1,1,0]=3 52 B5R0.2 NCCCON SY273643 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.2 NOCCCO SY204344 [1,0,0,0,0,0|2,1,0]=4 54 B5R0.2 NOCCCO SY281570 [1,0,0,0,0,0|2,1,0]=4 55 B7R0.1 C#CCCCCCCl SY220544 [0,1,0,0,0,0|1,0,1]=3 56 B7R0.1 C#CCCCCCO SY021685 [0,1,0,0,0,0|0,1,1]=3 57 B7R0.1 C=CCCCCNC SY047447 [0,1,0,0,0,0|1,0,1]=3 58 B7R0.1 C=CCCCCON SY281584 [0,1,0,0,0,0|0,1,2]=4 59 B7R0.1 C=CCCCCON SY281585 [0,1,0,0,0,0|0,1,2]=4 60 B7R0.1 CCCCCCON SY281668 [0,1,0,0,0,0|0,1,0]=2 61 B7R0.1 CCCCCCON SY281669 [0,1,0,0,0,0|0,1,0]=2 62 B7R0.1 CNCCNCCO SY300938 [0,1,0,0,0,0|1,1,0]=3 63 B7R0.1 COCCOCCBr SY049757 [0,1,0,0,0,0|2,0,0]=3 64 B7R0.1 COCCOCCN SY042959 [0,1,0,0,0,0|2,0,0]=3 65 B7R0.1 COCOCCC#N SY028246 [0,1,0,0,0,0|2,0,1]=4 66 B7R0.1 COCOCCC=O SY027733 [0,1,0,0,0,0|1,1,1]=4 67 B7R0.1 ClCCCCCCBr SY049099 [0,1,0,0,0,0|1,0,0]=2 68 B7R0.1 ClCCCCCCI SY049747 [0,1,0,0,0,0|1,0,0]=2 69 B7R0.1 NCCCCCCO SY003099 [0,1,0,0,0,0|0,1,0]=2 70 B7R0.1 NCCSSCCN SY012856 [0,1,0,0,0,0|3,0,0]=4 71 B7R0.1 NCC[Se][Se]CCN SY120950 [0,1,0,0,0,0|3,0,0]=4 72 B7R0.1 OCCCCCCBr SY017128 [0,1,0,0,0,0|0,1,0]=2 73 B7R0.1 OCCCCCCCl SY001629 [0,1,0,0,0,0|0,1,0]=2 74 B7R0.1 OCCOCCCBr SY250091 [0,1,0,0,0,0|1,1,0]=3 75 B7R0.3 CCC(=O)OCCO SY301488 [0,1,0,0,0,0|1,1,1]=4 76 B7R0.3 CCCCC(=O)NN SY078868 [0,1,0,0,0,0|2,0,1]=4 77 B7R0.3 CCCCC(O)CO SY049796 [0,1,0,0,0,0|0,1,0]=2 78 B7R0.3 CCCCN(C)CC SY311327 [0,1,0,0,0,0|2,0,0]=3 79 B7R0.3 CCCC[C@@H](N)CO SY038512 [0,1,0,0,0,0|0,1,0]=2 80 B7R0.3 CCCC[C@H](N)CO SY038520 [0,1,0,0,0,0|0,1,0]=2 81 B7R0.3 CNC(=O)CCCO SY126228 [0,1,0,0,0,0|1,1,1]=4 82 B7R0.3 COC(=O)CCCBr SY011922 [0,1,0,0,0,0|2,0,1]=4 83 B7R0.3 COC(=O)CCCI SY110660 [0,1,0,0,0,0|2,0,1]=4 84 B7R0.3 COC(=O)CCCN SY058513 [0,1,0,0,0,0|2,0,1]=4 85 B7R0.3 COC(=O)CCCO SY268958 [0,1,0,0,0,0|1,1,1]=4 86 B7R0.3 C[C@@H](CN)CCCO SY267124 [0,1,0,0,0,0|1,1,0]=3 87 B7R0.3 C[C@@H](CN)CCCO SY267125 [0,1,0,0,0,0|1,1,0]=3 88 B7R0.4 C#CCCCN(C)C SY023025 [0,1,0,0,0,0|2,0,1]=4 89 B7R0.4 CC(=O)OCCCCl SY106444 [0,1,0,0,0,0|2,0,1]=4 90 B7R0.4 CC(C)CCCCO SY083602 [0,1,0,0,0,0|0,1,0]=2 91 B7R0.4 CC(C)CCCON SY281839 [0,1,0,0,0,0|2,0,0]=3 92 B7R0.4 CC(C)CCCON SY281840 [0,1,0,0,0,0|2,0,0]=3 93 B7R0.4 CC(O)CSCCO SY269034 [0,1,0,0,0,0|1,1,0]=3 94 B7R0.4 CCCCCC(N)=O SY051726 [0,1,0,0,0,0|0,1,1]=3 95 B7R0.4 CCCCC[N+](=O)[O-] SY266558 [0,1,0,0,0,0|1,1,0]=3 96 B7R0.4 CCCNCC(C)C SY034221 [0,1,0,0,0,0|2,0,0]=3 97 B7R0.4 CCCOCC(=O)O SY025048 [0,1,0,0,0,0|1,1,1]=4 98 B7R0.4 CN(C)CCCC#N SY028278 [0,1,0,0,0,0|2,0,1]=4 99 B7R0.4 CNCCCC(=O)O SY032531 [0,1,0,0,0,0|1,1,1]=4 100 B7R0.4 COCCCC(=O)O SY045907 [0,1,0,0,0,0|1,1,1]=4 101 B7R0.4 COCCC[N+](=O)[O-] SY266522 [0,1,0,0,0,0|2,1,0]=4 102 B7R0.4 NC(=O)CCCCBr SY253590 [0,1,0,0,0,0|1,1,1]=4 103 B7R0.4 NC(=O)CCCCCl SY184285 [0,1,0,0,0,0|1,1,1]=4 104 B7R0.4 NCCCCC(=O)O SY002964 [0,1,0,0,0,0|1,1,1]=4 105 B7R0.4 NCCCCC(N)=O SY247757 [0,1,0,0,0,0|1,1,1]=4 106 B7R0.4 O=C(Cl)CCCCF SY270893 [0,1,0,0,0,0|1,1,1]=4 107 B7R0.4 O=C(O)CCCCCl SY051600 [0,1,0,0,0,0|1,1,1]=4 108 B7R0.4 O=C(O)CCCCS SY141369 [0,1,0,0,0,0|1,0,1]=3 109 B7R0.4 O=C([O-])CCCCO SY019284 [0,1,0,0,0,0|1,1,1]=4 110 B7R0.4 O=[N+]([O-])CCCCBr SY266567 [0,1,0,0,0,0|2,1,0]=4 111 B7R0.4 O=[N+]([O-])CCCCCl SY266516 [0,1,0,0,0,0|2,1,0]=4 112 B7R0.4 O=[N+]([O-])CCCCO SY235738 [0,1,0,0,0,0|2,1,0]=4 113 B7R0.7 CCCC(=O)OCCl SY018804 [0,1,0,0,0,0|2,0,1]=4 114 B7R0.7 CCCC(Br)CCC SY016752 [0,1,0,0,0,0|1,0,0]=2 115 B7R0.7 CCCC(N)CCC SY024496 [0,1,0,0,0,0|1,0,0]=2 116 B7R0.7 CCC[C@H](N)CCO SY117417 [0,1,0,0,0,0|0,1,0]=2 117 B7R0.7 CCNC(=O)CCCl SY168089 [0,1,0,0,0,0|2,0,1]=4 118 B7R0.7 CCOC(=O)CCBr SY001430 [0,1,0,0,0,0|2,0,1]=4 119 B7R0.7 CCOC(=O)CCI SY031505 [0,1,0,0,0,0|2,0,1]=4 120 B7R0.7 CCOC(=O)CCN SY001761 [0,1,0,0,0,0|2,0,1]=4 121 B7R0.7 CCOC(=O)CCO SY008914 [0,1,0,0,0,0|1,1,1]=4 122 B7R0.7 COCC(O)COC SY021402 [0,1,0,0,0,0|3,0,0]=4 123 B7R0.7 O=C(CCCl)CCCl SY031905 [0,1,0,0,0,0|2,0,1]=4 124 B7R0.7 O=C(CCO)CCCl SY300455 [0,1,0,0,0,0|1,1,1]=4 125 B7R0.7 O=C(CCO)CCO SY239973 [0,1,0,0,0,0|1,1,1]=4 126 B7R0.7 OCCC(O)CCO SY284695 [0,1,0,0,0,0|1,1,0]=3 127 B7R1.1 BrCC1CCOC1 SY042030 [0,0,0,1,0,0|2,0,0]=3 128 B7R1.1 BrCC1OCCO1 SY013531 [0,0,0,1,0,0|2,1,0]=4 129 B7R1.1 C#CC1CCCC1 SY047862 [0,0,0,1,0,0|1,0,1]=3 130 B7R1.1 C#CC1CCCO1 SY284812 [0,0,0,1,0,0|0,1,2]=4 131 B7R1.1 C#CC1CCNC1 SY284818 [0,0,0,1,0,0|2,0,1]=4 132 B7R1.1 CC[C@@H]1CCCN1 SY103107 [0,0,0,1,0,0|1,0,0]=2 133 B7R1.1 CNC1CCOC1 SY048009 [0,0,0,1,0,0|3,0,0]=4 134 B7R1.1 CN[C@@H]1CCOC1 SY268189 [0,0,0,1,0,0|3,0,0]=4 135 B7R1.1 COC1CCNC1 SY043121 [0,0,0,1,0,0|3,0,0]=4 136 B7R1.1 COC1CCNC1 SY097408 [0,0,0,1,0,0|3,0,0]=4 137 B7R1.1 CO[C@@H]1CCNC1 SY042148 [0,0,0,1,0,0|3,0,0]=4 138 B7R1.1 CO[C@@H]1CCNC1 SY056981 [0,0,0,1,0,0|3,0,0]=4 139 B7R1.1 CO[C@H]1CCNC1 SY042488 [0,0,0,1,0,0|3,0,0]=4 140 B7R1.1 CSC1=NCCS1 SY053147 [0,0,0,1,0,0|2,0,1]=4 141 B7R1.1 ClCC1CCCO1 SY049357 [0,0,0,1,0,0|1,1,0]=3 142 B7R1.1 FCC1CCNC1 SY265543 [0,0,0,1,0,0|2,0,0]=3 143 B7R1.1 FC[C@H]1CCCN1 SY098832 [0,0,0,1,0,0|2,0,0]=3 144 B7R1.1 N#CC1CCCN1 SY026581 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.1 N#CC1CCCO1 SY012529 [0,0,0,1,0,0|1,1,1]=4 146 B7R1.1 N#CC1CCNC1 SY021188 [0,0,0,1,0,0|2,0,1]=4 147 B7R1.1 N#CC1CCOC1 SY042080 [0,0,0,1,0,0|2,0,1]=4 148 B7R1.1 N#C[C@@H]1CCCN1 SY006280 [0,0,0,1,0,0|2,0,1]=4 149 B7R1.1 N#C[C@@H]1CCNC1 SY096996 [0,0,0,1,0,0|2,0,1]=4 150 B7R1.1 N#C[C@H]1CCCN1 SY007468 [0,0,0,1,0,0|2,0,1]=4 151 B7R1.1 NCC1CCCC1 SY013219 [0,0,0,1,0,0|1,0,0]=2 152 B7R1.1 NCC1CCCC1 SY025882 [0,0,0,1,0,0|1,0,0]=2 153 B7R1.1 NCC1CCOC1 SY042027 [0,0,0,1,0,0|2,0,0]=3 154 B7R1.1 NC[C@@H]1CCCO1 SY012535 [0,0,0,1,0,0|1,1,0]=3 155 B7R1.1 NN[C@@H]1CCOC1 SY295255 [0,0,0,1,0,0|3,0,0]=4 156 B7R1.1 O=CC1CCCC1 SY004589 [0,0,0,1,0,0|0,1,1]=3 157 B7R1.1 O=CC1CCCO1 SY024520 [0,0,0,1,0,0|1,1,1]=4 158 B7R1.1 O=CC1CCOC1 SY046752 [0,0,0,1,0,0|1,1,1]=4 159 B7R1.1 O=CN1CCCC1 SY252984 [0,0,0,1,0,0|1,1,1]=4 160 B7R1.1 O=NN1CCCC1 SY115826 [0,0,0,1,0,0|2,1,0]=4 161 B7R1.1 OCC1CC=CC1 SY019811 [0,0,0,1,0,0|0,1,2]=4 162 B7R1.1 OCC1CCCC1 SY006011 [0,0,0,1,0,0|0,1,0]=2 163 B7R1.1 OCC1CCCN1 SY013851 [0,0,0,1,0,0|1,1,0]=3 164 B7R1.1 OCC1CCNC1 SY018506 [0,0,0,1,0,0|1,1,0]=3 165 B7R1.1 OCC1CCNC1 SY021497 [0,0,0,1,0,0|1,1,0]=3 166 B7R1.1 OCC1CCOC1 SY030918 [0,0,0,1,0,0|1,1,0]=3 167 B7R1.1 OC[C@@H]1CCCO1 SY227666 [0,0,0,1,0,0|1,1,0]=3 168 B7R1.1 OC[C@@H]1CCNC1 SY008238 [0,0,0,1,0,0|1,1,0]=3 169 B7R1.1 OC[C@H]1CCCN1 SY013466 [0,0,0,1,0,0|1,1,0]=3 170 B7R1.1 OC[C@H]1CCCO1 SY106537 [0,0,0,1,0,0|1,1,0]=3 171 B7R1.1 OC[C@H]1CCNC1 SY008227 [0,0,0,1,0,0|1,1,0]=3 172 B7R1.3 BrC1=CCCCC1 SY253165 [0,0,0,1,0,0|1,0,2]=4 173 B7R1.3 BrC1CCCOC1 SY005937 [0,0,0,1,0,0|2,0,0]=3 174 B7R1.3 BrC1CCNCC1 SY013399 [0,0,0,1,0,0|2,0,0]=3 175 B7R1.3 BrC1CCOCC1 SY002700 [0,0,0,1,0,0|2,0,0]=3 176 B7R1.3 C=C1CCNCC1 SY022740 [0,0,0,1,0,0|2,0,1]=4 177 B7R1.3 CC1CNCCO1 SY008226 [0,0,0,1,0,0|1,1,0]=3 178 B7R1.3 CC1COCCN1 SY028991 [0,0,0,1,0,0|2,0,0]=3 179 B7R1.3 CN1CCNCC1 SY102030 [0,0,0,1,0,0|3,0,0]=4 180 B7R1.3 CN1CCOCC1 SY262844 [0,0,0,1,0,0|3,0,0]=4 181 B7R1.3 C[C@@H]1CCCNC1 SY069171 [0,0,0,1,0,0|2,0,0]=3 182 B7R1.3 C[C@@H]1CNCCN1 SY004931 [0,0,0,1,0,0|2,0,0]=3 183 B7R1.3 C[C@@H]1CNCCO1 SY021208 [0,0,0,1,0,0|1,1,0]=3 184 B7R1.3 C[C@@H]1CNCCO1 SY032742 [0,0,0,1,0,0|1,1,0]=3 185 B7R1.3 C[C@@H]1COCCN1 SY021211 [0,0,0,1,0,0|2,0,0]=3 186 B7R1.3 C[C@@H]1COCCN1 SY023875 [0,0,0,1,0,0|2,0,0]=3 187 B7R1.3 C[C@H]1CCCNC1 SY115150 [0,0,0,1,0,0|2,0,0]=3 188 B7R1.3 C[C@H]1CCCNC1 SY273114 [0,0,0,1,0,0|2,0,0]=3 189 B7R1.3 C[C@H]1CNCCO1 SY021210 [0,0,0,1,0,0|1,1,0]=3 190 B7R1.3 C[C@H]1CNCCO1 SY043150 [0,0,0,1,0,0|1,1,0]=3 191 B7R1.3 C[C@H]1COCCN1 SY002673 [0,0,0,1,0,0|2,0,0]=3 192 B7R1.3 C[C@H]1COCCN1 SY023874 [0,0,0,1,0,0|2,0,0]=3 193 B7R1.3 ClC1C=CCCC1 SY054691 [0,0,0,1,0,0|1,0,2]=4 194 B7R1.3 ClC1CCNCC1 SY046580 [0,0,0,1,0,0|2,0,0]=3 195 B7R1.3 ClC1CCOCC1 SY051140 [0,0,0,1,0,0|2,0,0]=3 196 B7R1.3 FC1CCCNC1 SY010384 [0,0,0,1,0,0|2,0,0]=3 197 B7R1.3 FC1CCNCC1 SY010389 [0,0,0,1,0,0|2,0,0]=3 198 B7R1.3 FC1CCNCC1 SY020129 [0,0,0,1,0,0|2,0,0]=3 199 B7R1.3 IC1CCOCC1 SY004489 [0,0,0,1,0,0|2,0,0]=3 200 B7R1.3 NC1CCCNC1 SY020460 [0,0,0,1,0,0|2,0,0]=3 201 B7R1.3 NC1CCOCC1 SY013112 [0,0,0,1,0,0|2,0,0]=3 202 B7R1.3 NC1CCSCC1 SY042938 [0,0,0,1,0,0|2,0,0]=3 203 B7R1.3 N[C@@H]1CCCNC1 SY008763 [0,0,0,1,0,0|2,0,0]=3 204 B7R1.3 N[C@@H]1CCCOC1 SY023981 [0,0,0,1,0,0|2,0,0]=3 205 B7R1.3 N[C@H]1CCCNC1 SY009305 [0,0,0,1,0,0|2,0,0]=3 206 B7R1.3 N[C@H]1CCCOC1 SY023980 [0,0,0,1,0,0|2,0,0]=3 207 B7R1.3 O=C1CCCCN1 SY011119 [0,0,0,1,0,0|1,1,1]=4 208 B7R1.3 O=C1CCCCO1 SY018264 [0,0,0,1,0,0|1,1,1]=4 209 B7R1.3 O=C1CCCCS1 SY222230 [0,0,0,1,0,0|1,0,1]=3 210 B7R1.3 O=C1CCCNC1 SY025656 [0,0,0,1,0,0|1,1,1]=4 211 B7R1.3 O=C1CCCOC1 SY003102 [0,0,0,1,0,0|1,1,1]=4 212 B7R1.3 O=C1CCNCC1 SY002027 [0,0,0,1,0,0|1,1,1]=4 213 B7R1.3 O=C1CCNCC1 SY107185 [0,0,0,1,0,0|1,1,1]=4 214 B7R1.3 O=C1CCSCC1 SY007101 [0,0,0,1,0,0|1,1,1]=4 215 B7R1.3 OC1CC=CCC1 SY264800 [0,0,0,1,0,0|0,1,2]=4 216 B7R1.3 OC1CCCCO1 SY009592 [0,0,0,1,0,0|1,1,0]=3 217 B7R1.3 OC1CCCNC1 SY002024 [0,0,0,1,0,0|1,1,0]=3 218 B7R1.3 OC1CCCOC1 SY021770 [0,0,0,1,0,0|1,1,0]=3 219 B7R1.3 OC1CCNCC1 SY025543 [0,0,0,1,0,0|1,1,0]=3 220 B7R1.3 OC1CCOCC1 SY002687 [0,0,0,1,0,0|1,1,0]=3 221 B7R1.3 OC1CCSCC1 SY019603 [0,0,0,1,0,0|1,1,0]=3 222 B7R1.3 OC1COCOC1 SY039164 [0,0,0,1,0,0|2,1,0]=4 223 B7R1.3 ON1CCNCC1 SY248545 [0,0,0,1,0,0|2,1,0]=4 224 B7R1.3 O[C@@H]1CCCNC1 SY017793 [0,0,0,1,0,0|1,1,0]=3 225 B7R1.3 O[C@H]1CCCNC1 SY020871 [0,0,0,1,0,0|1,1,0]=3 226 B7R1.4 CC1CCCC1=O SY045483 [0,0,0,1,0,0|0,1,1]=3 227 B7R1.4 CC1CCOC1=O SY051660 [0,0,0,1,0,0|1,1,1]=4 228 B7R1.4 CC1OCCC1=O SY001818 [0,0,0,1,0,0|1,1,1]=4 229 B7R1.4 CC1SCCC1=O SY003998 [0,0,0,1,0,0|1,1,1]=4 230 B7R1.4 C[C@@H]1CNC[C@@H]1O SY124368 [0,0,0,1,0,0|1,1,0]=3 231 B7R1.4 C[C@H]1CCC[C@H]1N SY254157 [0,0,0,1,0,0|1,0,0]=2 232 B7R1.4 F[C@@H]1CNC[C@H]1F SY270347 [0,0,0,1,0,0|3,0,0]=4 233 B7R1.4 F[C@H]1CNC[C@@H]1F SY301499 [0,0,0,1,0,0|3,0,0]=4 234 B7R1.4 F[C@H]1CNC[C@H]1F SY302340 [0,0,0,1,0,0|3,0,0]=4 235 B7R1.4 NC1CCCC1O SY004734 [0,0,0,1,0,0|1,1,0]=3 236 B7R1.4 N[C@@H]1CCC[C@@H]1O SY002754 [0,0,0,1,0,0|1,1,0]=3 237 B7R1.4 N[C@@H]1CCC[C@H]1O SY002755 [0,0,0,1,0,0|1,1,0]=3 238 B7R1.4 N[C@@H]1CCC[C@H]1O SY004738 [0,0,0,1,0,0|1,1,0]=3 239 B7R1.4 N[C@@H]1CCC[C@H]1O SY029613 [0,0,0,1,0,0|1,1,0]=3 240 B7R1.4 N[C@@H]1COC[C@@H]1N SY097056 [0,0,0,1,0,0|3,0,0]=4 241 B7R1.4 N[C@H]1CCC[C@@H]1O SY003862 [0,0,0,1,0,0|1,1,0]=3 242 B7R1.4 N[C@H]1CCC[C@H]1O SY003863 [0,0,0,1,0,0|1,1,0]=3 243 B7R1.4 N[C@H]1COC[C@H]1O SY233968 [0,0,0,1,0,0|2,1,0]=4 244 B7R1.4 O=C1CCCC1F SY200677 [0,0,0,1,0,0|1,1,1]=4 245 B7R1.4 OC1CCCC1F SY273252 [0,0,0,1,0,0|1,1,0]=3 246 B7R1.4 OC1CCCC1O SY007557 [0,0,0,1,0,0|1,1,0]=3 247 B7R1.4 OC1COCC1Br SY262931 [0,0,0,1,0,0|2,1,0]=4 248 B7R1.4 O[C@@H]1CCC[C@H]1Cl SY058932 [0,0,0,1,0,0|1,1,0]=3 249 B7R1.4 O[C@@H]1CCC[C@H]1F SY273251 [0,0,0,1,0,0|1,1,0]=3 250 B7R1.4 O[C@@H]1CCC[C@H]1O SY028304 [0,0,0,1,0,0|1,1,0]=3 251 B7R1.4 O[C@@H]1CNC[C@H]1O SY038177 [0,0,0,1,0,0|2,1,0]=4 252 B7R1.4 O[C@H]1CNC[C@@H]1O SY031965 [0,0,0,1,0,0|2,1,0]=4 253 B7R1.4 O[C@H]1CNC[C@H]1O SY097115 [0,0,0,1,0,0|2,1,0]=4 254 B7R1.6 C#CCN1CCC1 SY268125 [0,0,0,1,0,0|2,0,1]=4 255 B7R1.6 CCOC1CNC1 SY198400 [0,0,0,1,0,0|3,0,0]=4 256 B7R1.6 CNCC1COC1 SY113244 [0,0,0,1,0,0|3,0,0]=4 257 B7R1.6 COCC1CCN1 SY122024 [0,0,0,1,0,0|2,0,0]=3 258 B7R1.6 COCC1CNC1 SY060329 [0,0,0,1,0,0|3,0,0]=4 259 B7R1.6 ICCC1COC1 SY249454 [0,0,0,1,0,0|2,0,0]=3 260 B7R1.6 NCCC1CNC1 SY263737 [0,0,0,1,0,0|2,0,0]=3 261 B7R1.6 NCCN1CCC1 SY099362 [0,0,0,1,0,0|2,0,0]=3 262 B7R1.6 NOCC1CCC1 SY216380 [0,0,0,1,0,0|2,0,0]=3 263 B7R1.6 NOCC1CCC1 SY281574 [0,0,0,1,0,0|2,0,0]=3 264 B7R1.6 O=CCC1CCC1 SY025254 [0,0,0,1,0,0|0,1,1]=3 265 B7R1.6 OCCC1CCO1 SY099736 [0,0,0,1,0,0|1,1,0]=3 266 B7R1.6 OCCC1COC1 SY097532 [0,0,0,1,0,0|1,1,0]=3 267 B7R1.7 BrCC#CC1CC1 SY028194 [0,0,0,1,0,0|1,0,2]=4 268 B7R1.7 CCCCC1CO1 SY049832 [0,0,0,1,0,0|0,1,0]=2 269 B7R1.7 OCC#CC1CC1 SY028195 [0,0,0,1,0,0|0,1,2]=4 270 B7R1.8 CN1CC[C@H]1CN SY284568 [0,0,0,1,0,0|2,0,0]=3 271 B7R1.9 COC1CC1C=O SY277013 [0,0,0,1,0,0|1,1,1]=4 272 B7R1.24 C1CNCCOC1 SY002594 [0,0,0,1,0,0|1,1,0]=3 273 B7R1.24 C1CNCCOC1 SY023485 [0,0,0,1,0,0|1,1,0]=3 274 B4R0.2 BrCCCI SY288042 [2,0,0,0,0,0|2,0,0]=4 275 B4R0.2 CCCNN SY048075 [2,0,0,0,0,0|2,0,0]=4 276 B4R0.2 CCCON SY096737 [2,0,0,0,0,0|2,0,0]=4 277 B4R0.2 CNCCBr SY044997 [2,0,0,0,0,0|2,0,0]=4 278 B4R0.2 CNCCF SY122542 [2,0,0,0,0,0|2,0,0]=4 279 B4R0.2 CNCCN SY023647 [2,0,0,0,0,0|2,0,0]=4 280 B4R0.2 COCCI SY248715 [2,0,0,0,0,0|2,0,0]=4 281 B4R0.2 ClCCCI SY031611 [2,0,0,0,0,0|2,0,0]=4 282 B4R0.2 FCCCI SY025148 [2,0,0,0,0,0|2,0,0]=4 283 B4R0.2 ICCCI SY045006 [2,0,0,0,0,0|2,0,0]=4 284 B4R0.2 NCCCBr SY008325 [2,0,0,0,0,0|2,0,0]=4 285 B4R0.2 NCCCCl SY001694 [2,0,0,0,0,0|2,0,0]=4 286 B4R0.2 NCCCI SY154270 [2,0,0,0,0,0|2,0,0]=4 287 B4R0.2 OCCCBr SY001898 [2,0,0,0,0,0|1,1,0]=4 288 B4R0.2 OCCCF SY033053 [2,0,0,0,0,0|1,1,0]=4 289 B4R0.2 OCCCI SY016401 [2,0,0,0,0,0|1,1,0]=4 290 B6R0.1 C=CC(O)CCC SY048915 [1,1,0,0,0,0|0,0,2]=4 291 B6R0.1 CCC(=O)COC SY190908 [1,1,0,0,0,0|1,0,1]=4 292 B6R0.1 CCCC(C)CN SY271841 [1,1,0,0,0,0|1,0,0]=3 293 B6R0.1 CCCC(O)CO SY032914 [1,1,0,0,0,0|0,1,0]=3 294 B6R0.1 CCC[C@@H](N)CF SY045881 [1,1,0,0,0,0|1,0,0]=3 295 B6R0.1 CCC[C@@H](N)CO SY038521 [1,1,0,0,0,0|0,1,0]=3 296 B6R0.1 CCC[C@H](N)CF SY045882 [1,1,0,0,0,0|1,0,0]=3 297 B6R0.1 CCC[C@H](N)CO SY017944 [1,1,0,0,0,0|0,1,0]=3 298 B6R0.1 CNC[C@@H](O)CO SY294795 [1,1,0,0,0,0|1,1,0]=4 299 B6R0.1 COC[C@@H](O)CN SY236677 [1,1,0,0,0,0|2,0,0]=4 300 B6R0.1 COC[C@H](O)CN SY199877 [1,1,0,0,0,0|2,0,0]=4 301 B6R0.1 NCCC(O)CO SY260308 [1,1,0,0,0,0|1,1,0]=4 302 B6R0.1 OCCC(O)CO SY003295 [1,1,0,0,0,0|1,1,0]=4 303 B6R0.1 OCC[C@H](O)CO SY274042 [1,1,0,0,0,0|1,1,0]=4 304 B6R0.1 O[C@@H](CBr)CCBr SY301486 [1,1,0,0,0,0|2,0,0]=4 305 B6R0.4 C=CCC[C@H](C)O SY307699 [1,1,0,0,0,0|0,0,2]=4 306 B6R0.4 CC(=O)CCCO SY002852 [1,1,0,0,0,0|0,1,1]=4 307 B6R0.4 CC(C)CCCO SY016761 [1,1,0,0,0,0|0,1,0]=3 308 B6R0.4 CC(C)CCNN SY048082 [1,1,0,0,0,0|2,0,0]=4 309 B6R0.4 CC(C)CCON SY045359 [1,1,0,0,0,0|2,0,0]=4 310 B6R0.4 CC(C)CCON SY281670 [1,1,0,0,0,0|2,0,0]=4 311 B6R0.4 CC(C)NCCCl SY028925 [1,1,0,0,0,0|2,0,0]=4 312 B6R0.4 CC(C)OCCBr SY031858 [1,1,0,0,0,0|2,0,0]=4 313 B6R0.4 CC(Cl)CCCO SY207412 [1,1,0,0,0,0|0,1,0]=3 314 B6R0.4 CC(O)CCCO SY239899 [1,1,0,0,0,0|0,1,0]=3 315 B6R0.4 CCCCB(O)O SY012742 [1,1,0,0,0,0|1,1,0]=4 316 B6R0.4 CCCCC(=N)N SY020380 [1,1,0,0,0,0|1,0,1]=4 317 B6R0.4 CCCCC(=N)N SY020382 [1,1,0,0,0,0|1,0,1]=4 318 B6R0.4 CN(C)CCCBr SY016763 [1,1,0,0,0,0|2,0,0]=4 319 B6R0.4 CN(C)CCCCl SY006370 [1,1,0,0,0,0|2,0,0]=4 320 B6R0.4 CN(C)CCCCl SY021395 [1,1,0,0,0,0|2,0,0]=4 321 B6R0.4 CN(C)CCCI SY247760 [1,1,0,0,0,0|2,0,0]=4 322 B6R0.4 CN(C)CCCI SY247768 [1,1,0,0,0,0|2,0,0]=4 323 B8R0.1 CCOC(=O)CCCI SY014641 [0,2,0,0,0,0|1,0,1]=4 324 B8R0.1 CCOC(=O)CCCN SY015028 [0,2,0,0,0,0|1,0,1]=4 325 B8R0.1 CCOC(=O)CCCO SY263197 [0,2,0,0,0,0|0,1,1]=4 326 B8R0.4 BrCC#CCCCCBr SY265118 [0,2,0,0,0,0|1,0,1]=4 327 B8R0.4 BrCCCCCCCBr SY050897 [0,2,0,0,0,0|1,0,0]=3 328 B8R0.4 C#CCCCCCCO SY051403 [0,2,0,0,0,0|0,1,0]=3 329 B8R0.4 C=CCCCCCCBr SY032409 [0,2,0,0,0,0|1,0,0]=3 330 B8R0.4 C=CCCCCCON SY281734 [0,2,0,0,0,0|0,1,1]=4 331 B8R0.4 C=CCCCCCON SY281735 [0,2,0,0,0,0|0,1,1]=4 332 B8R0.4 CCCCCCCON SY281820 [0,2,0,0,0,0|0,1,0]=3 333 B8R0.4 CCCCCCCON SY281821 [0,2,0,0,0,0|0,1,0]=3 334 B8R0.4 CCCCOCCC#N SY016496 [0,2,0,0,0,0|1,0,0]=3 335 B8R0.4 CCOCCNCCN SY301811 [0,2,0,0,0,0|1,0,0]=3 336 B8R0.4 COCCCCCCBr SY040480 [0,2,0,0,0,0|0,1,0]=3 337 B8R0.4 COCCOCCON SY281837 [0,2,0,0,0,0|1,1,0]=4 338 B8R0.4 COCCOCCON SY281838 [0,2,0,0,0,0|1,1,0]=4 339 B8R0.4 ClCCCCCCCCl SY055886 [0,2,0,0,0,0|1,0,0]=3 340 B8R0.4 ClCCCOCCCCl SY116045 [0,2,0,0,0,0|1,0,0]=3 341 B8R0.4 OCCCCCCCBr SY019463 [0,2,0,0,0,0|0,1,0]=3 342 B8R0.4 OCCCCCCCO SY010789 [0,2,0,0,0,0|0,1,0]=3 343 B8R0.4 OCCCOCCCO SY116704 [0,2,0,0,0,0|0,1,0]=3 344 B8R0.6 C#C[C@@H](O)CCCCC SY029413 [0,2,0,0,0,0|0,1,0]=3 345 B8R0.6 COC(=O)CCCCBr SY013898 [0,2,0,0,0,0|1,0,1]=4 346 B8R0.6 COC(=O)CCCCN SY117564 [0,2,0,0,0,0|1,0,1]=4 347 B8R0.6 N#CC(O)CCCCO SY028469 [0,2,0,0,0,0|0,1,1]=4 348 B8R0.7 CC(=O)OCCCCBr SY048653 [0,2,0,0,0,0|1,0,1]=4 349 B8R0.7 CC(=O)OCCCCO SY294143 [0,2,0,0,0,0|0,1,1]=4 350 B8R0.7 CC(=O)SCCCCN SY290150 [0,2,0,0,0,0|1,0,1]=4 351 B8R0.7 CC(C)NCCCCO SY054140 [0,2,0,0,0,0|0,1,0]=3 352 B8R0.7 CCCCCCB(O)O SY017961 [0,2,0,0,0,0|0,1,0]=3 353 B8R0.7 CCCCCC[C@@H](C)O SY038272 [0,2,0,0,0,0|0,1,0]=3 354 B8R0.7 CCCCCC[N+](=O)[O-] SY266557 [0,2,0,0,0,0|0,1,0]=3 355 B8R0.7 CCCCOCC(=O)O SY002472 [0,2,0,0,0,0|0,1,1]=4 356 B8R0.7 CCNCCCN(C)C SY023941 [0,2,0,0,0,0|2,0,0]=4 357 B8R0.7 CN(C)CCCCC#N SY041202 [0,2,0,0,0,0|1,0,1]=4 358 B8R0.7 CN(C)CCCCCN SY040702 [0,2,0,0,0,0|1,0,0]=3 359 B8R0.7 CN(C)CCNCCO SY270833 [0,2,0,0,0,0|1,1,0]=4 360 B8R0.7 COCCCC[N+](=O)[O-] SY266559 [0,2,0,0,0,0|1,1,0]=4 361 B8R0.7 NC(=O)CCCCCBr SY103908 [0,2,0,0,0,0|0,1,1]=4 362 B8R0.7 NC(=O)CCCCCO SY247977 [0,2,0,0,0,0|0,1,1]=4 363 B8R0.7 NCCCCCC(=O)O SY003109 [0,2,0,0,0,0|0,1,1]=4 364 B8R0.7 NCCCCCC(N)=O SY247974 [0,2,0,0,0,0|0,1,1]=4 365 B8R0.7 NCCCCOC(F)F SY272229 [0,2,0,0,0,0|2,0,0]=4 366 B8R0.7 O=C(O)CCCCCCl SY053214 [0,2,0,0,0,0|0,1,1]=4 367 B8R0.7 O=C(O)CCCCCO SY032043 [0,2,0,0,0,0|0,1,1]=4 368 B8R0.7 O=C([O-])CCCCCO SY121174 [0,2,0,0,0,0|0,1,1]=4 369 B8R0.7 O=[N+]([O-])CCCCCBr SY266569 [0,2,0,0,0,0|1,1,0]=4 370 B8R0.7 O=[N+]([O-])CCCCCCl SY266512 [0,2,0,0,0,0|1,1,0]=4 371 B8R0.7 O=[N+]([O-])CCCCCO SY266588 [0,2,0,0,0,0|1,1,0]=4 372 B8R0.3 CCOC(=O)[C@@H](N)CS SY020967 [0,2,0,0,0,0|1,0,1]=4 373 B8R0.8 CCCCC(N)C(=O)O SY038236 [0,2,0,0,0,0|0,1,1]=4 374 B8R0.8 CCCC[C@@H](N)C(=O)O SY062052 [0,2,0,0,0,0|0,1,1]=4 375 B8R0.8 CCCC[C@H](N)C(=O)O SY036145 [0,2,0,0,0,0|0,1,1]=4 376 B8R0.9 CCC(Cl)CCC(=O)Cl SY027792 [0,2,0,0,0,0|0,1,1]=4 377 B8R0.11 CCN(CC)CCCCl SY041969 [0,2,0,0,0,0|2,0,0]=4 378 B8R0.11 CCN(CC)CCCO SY051543 [0,2,0,0,0,0|1,1,0]=4 379 B8R0.11 COC(CCCBr)OC SY059218 [0,2,0,0,0,0|2,0,0]=4 380 B8R0.21 CCCCCS(=O)(=O)[O-] SY013397 [0,2,0,0,0,0|1,1,0]=4 381 B8R0.28 CC(C)CCCC(C)N SY264522 [0,2,0,0,0,0|1,0,0]=3 382 B8R0.28 CC(C)CCC[N+](=O)[O-] SY266599 [0,2,0,0,0,0|1,1,0]=4 383 B8R0.22 CCCC(C#N)CCC SY059783 [0,2,0,0,0,0|1,0,0]=3 384 B8R0.22 CCCC(CC)CNN SY048093 [0,2,0,0,0,0|2,0,0]=4 385 B6R1.1 C1CCNNC1 SY028291 [1,0,0,1,0,0|2,0,0]=4 386 B6R1.1 C1CCONC1 SY105413 [1,0,0,1,0,0|1,1,0]=4 387 B6R1.1 C1COCCN1 SY059143 [1,0,0,1,0,0|1,1,0]=4 388 B6R1.1 C1CSCCN1 SY033134 [1,0,0,1,0,0|1,0,0]=3 389 B6R1.1 C1CSCSC1 SY014110 [1,0,0,1,0,0|1,0,0]=3 390 B6R1.2 CC1=NCCC1 SY015490 [1,0,0,1,0,0|1,0,1]=4 391 B6R1.2 CC1CCCN1 SY042657 [1,0,0,1,0,0|1,0,0]=3 392 B6R1.2 CN1CCNC1 SY251230 [1,0,0,1,0,0|2,0,0]=4 393 B6R1.2 C[C@@H]1CCCN1 SY019809 [1,0,0,1,0,0|1,0,0]=3 394 B6R1.2 C[C@@H]1CCNC1 SY097390 [1,0,0,1,0,0|1,0,0]=3 395 B6R1.2 C[C@H]1CCCN1 SY019821 [1,0,0,1,0,0|1,0,0]=3 396 B6R1.2 C[C@H]1CCNC1 SY097402 [1,0,0,1,0,0|1,0,0]=3 397 B6R1.2 C[S+]1CCCC1 SY251130 [1,0,0,1,0,0|1,0,0]=3 398 B6R1.2 ClC1CCOC1 SY185690 [1,0,0,1,0,0|2,0,0]=4 399 B6R1.2 Cl[C@@H]1CCNC1 SY281534 [1,0,0,1,0,0|2,0,0]=4 400 B6R1.2 FC1CCNC1 SY032538 [1,0,0,1,0,0|2,0,0]=4 401 B6R1.2 F[C@@H]1CCNC1 SY008511 [1,0,0,1,0,0|2,0,0]=4 402 B6R1.2 F[C@H]1CCNC1 SY008512 [1,0,0,1,0,0|2,0,0]=4 403 B6R1.2 IC1CCCC1 SY019127 [1,0,0,1,0,0|1,0,0]=3 404 B6R1.2 IC1CCOC1 SY042009 [1,0,0,1,0,0|2,0,0]=4 405 B6R1.2 NC1CCNC1 SY005919 [1,0,0,1,0,0|2,0,0]=4 406 B6R1.2 NC1CCOC1 SY003277 [1,0,0,1,0,0|2,0,0]=4 407 B6R1.2 NC1CCOC1 SY042059 [1,0,0,1,0,0|2,0,0]=4 408 B6R1.2 N[C@@H]1CCOC1 SY020665 [1,0,0,1,0,0|2,0,0]=4 409 B6R1.2 N[C@@H]1CCOC1 SY024464 [1,0,0,1,0,0|2,0,0]=4 410 B6R1.2 N[C@H]1CCNC1 SY057131 [1,0,0,1,0,0|2,0,0]=4 411 B6R1.2 N[C@H]1CCOC1 SY020664 [1,0,0,1,0,0|2,0,0]=4 412 B6R1.2 N[C@H]1CCOC1 SY024406 [1,0,0,1,0,0|2,0,0]=4 413 B6R1.2 OC1CCCO1 SY016132 [1,0,0,1,0,0|1,1,0]=4 414 B6R1.2 OC1CCNC1 SY001203 [1,0,0,1,0,0|1,1,0]=4 415 B6R1.2 OC1CCNC1 SY003143 [1,0,0,1,0,0|1,1,0]=4 416 B6R1.2 OC1CCOC1 SY003288 [1,0,0,1,0,0|1,1,0]=4 417 B6R1.2 OC1CCSC1 SY185762 [1,0,0,1,0,0|1,1,0]=4 418 B6R1.2 O[C@@H]1CCNC1 SY003191 [1,0,0,1,0,0|1,1,0]=4 419 B6R1.2 O[C@@H]1CCNC1 SY018523 [1,0,0,1,0,0|1,1,0]=4 420 B6R1.2 O[C@@H]1CCOC1 SY016904 [1,0,0,1,0,0|1,1,0]=4 421 B6R1.2 O[C@H]1CCNC1 SY003190 [1,0,0,1,0,0|1,1,0]=4 422 B6R1.2 O[C@H]1CCNC1 SY007382 [1,0,0,1,0,0|1,1,0]=4 423 B6R1.2 O[C@H]1CCOC1 SY003096 [1,0,0,1,0,0|1,1,0]=4 424 B6R1.3 BrCCC1CC1 SY023093 [1,0,0,1,0,0|1,0,0]=3 425 B6R1.3 BrCCC1CO1 SY021183 [1,0,0,1,0,0|1,1,0]=4 426 B6R1.3 CCNC1CC1 SY027577 [1,0,0,1,0,0|1,0,0]=3 427 B6R1.3 CCNC1CC1 SY027695 [1,0,0,1,0,0|1,0,0]=3 428 B6R1.3 CNCC1CC1 SY029533 [1,0,0,1,0,0|1,0,0]=3 429 B6R1.3 CNCC1CC1 SY029534 [1,0,0,1,0,0|1,0,0]=3 430 B6R1.3 N#CCC1CC1 SY058947 [1,0,0,1,0,0|1,0,1]=4 431 B6R1.3 NCCC1CC1 SY042128 [1,0,0,1,0,0|1,0,0]=3 432 B6R1.3 NNCC1CC1 SY013383 [1,0,0,1,0,0|2,0,0]=4 433 B6R1.3 NNCC1CC1 SY042147 [1,0,0,1,0,0|2,0,0]=4 434 B6R1.3 NOCC1CC1 SY101356 [1,0,0,1,0,0|2,0,0]=4 435 B6R1.3 OCCC1CC1 SY041938 [1,0,0,1,0,0|0,1,0]=3 436 B6R1.4 CC1CCC1O SY161762 [1,0,0,1,0,0|0,1,0]=3 437 B6R1.4 C[C@@H]1NC[C@@H]1F SY310794 [1,0,0,1,0,0|2,0,0]=4 438 B6R1.4 C[C@@H]1NC[C@H]1F SY310804 [1,0,0,1,0,0|2,0,0]=4 439 B6R1.4 C[C@@H]1NC[C@H]1O SY310807 [1,0,0,1,0,0|1,1,0]=4 440 B6R1.4 OC1CCC1O SY301012 [1,0,0,1,0,0|1,1,0]=4 441 B6R1.6 BrCC1CNC1 SY267476 [1,0,0,1,0,0|2,0,0]=4 442 B6R1.6 BrCC1COC1 SY059797 [1,0,0,1,0,0|2,0,0]=4 443 B6R1.6 CNC1COC1 SY047195 [1,0,0,1,0,0|2,0,0]=4 444 B6R1.6 COC1CNC1 SY021482 [1,0,0,1,0,0|2,0,0]=4 445 B6R1.6 FCC1CNC1 SY127600 [1,0,0,1,0,0|2,0,0]=4 446 B6R1.6 ICC1CCC1 SY073415 [1,0,0,1,0,0|1,0,0]=3 447 B6R1.6 NCC1CCC1 SY035875 [1,0,0,1,0,0|1,0,0]=3 448 B6R1.6 NCC1CCO1 SY035857 [1,0,0,1,0,0|1,1,0]=4 449 B6R1.6 NCC1COC1 SY025447 [1,0,0,1,0,0|2,0,0]=4 450 B6R1.6 NCC1COC1 SY098725 [1,0,0,1,0,0|2,0,0]=4 451 B6R1.6 NC[C@@H]1CCO1 SY250609 [1,0,0,1,0,0|1,1,0]=4 452 B6R1.6 NC[C@H]1CCO1 SY262606 [1,0,0,1,0,0|1,1,0]=4 453 B6R1.6 O=CC1CCC1 SY019700 [1,0,0,1,0,0|0,1,1]=4 454 B6R1.6 OCC1CCO1 SY042053 [1,0,0,1,0,0|1,1,0]=4 455 B6R1.6 OCC1CNC1 SY024106 [1,0,0,1,0,0|1,1,0]=4 456 B6R1.6 OCC1COC1 SY009472 [1,0,0,1,0,0|1,1,0]=4 457 B6R1.6 OC[C@@H]1CCO1 SY270417 [1,0,0,1,0,0|1,1,0]=4 458 B8R1.2 BrCC1CCCNC1 SY029332 [0,1,0,1,0,0|1,0,0]=3 459 B8R1.2 BrCC1CCNCC1 SY007097 [0,1,0,1,0,0|1,0,0]=3 460 B8R1.2 BrCC1CCNCC1 SY029312 [0,1,0,1,0,0|1,0,0]=3 461 B8R1.2 BrCC1CCOCC1 SY002686 [0,1,0,1,0,0|1,0,0]=3 462 B8R1.2 BrC[C@@H]1COCCO1 SY274810 [0,1,0,1,0,0|1,1,0]=4 463 B8R1.2 C#CC1CCCOC1 SY259701 [0,1,0,1,0,0|1,0,1]=4 464 B8R1.2 C#CC1CCNCC1 SY097779 [0,1,0,1,0,0|1,0,1]=4 465 B8R1.2 C#CC1CCOCC1 SY097241 [0,1,0,1,0,0|1,0,1]=4 466 B8R1.2 CNC1CCNCC1 SY016945 [0,1,0,1,0,0|2,0,0]=4 467 B8R1.2 CNC1CCNCC1 SY016946 [0,1,0,1,0,0|2,0,0]=4 468 B8R1.2 CNC1CCOCC1 SY013416 [0,1,0,1,0,0|2,0,0]=4 469 B8R1.2 CNC1CCOCC1 SY016841 [0,1,0,1,0,0|2,0,0]=4 470 B8R1.2 COC1CCCNC1 SY041935 [0,1,0,1,0,0|1,1,0]=4 471 B8R1.2 COC1CCCNC1 SY104362 [0,1,0,1,0,0|1,1,0]=4 472 B8R1.2 COC1CCNCC1 SY003146 [0,1,0,1,0,0|1,1,0]=4 473 B8R1.2 COC1CCNCC1 SY020458 [0,1,0,1,0,0|1,1,0]=4 474 B8R1.2 CO[C@H]1CCCNC1 SY098191 [0,1,0,1,0,0|1,1,0]=4 475 B8R1.2 ClCC1CCNCC1 SY029313 [0,1,0,1,0,0|1,0,0]=3 476 B8R1.2 ICC1CCCCC1 SY027725 [0,1,0,1,0,0|1,0,0]=3 477 B8R1.2 ICC1CCNCC1 SY029333 [0,1,0,1,0,0|1,0,0]=3 478 B8R1.2 ICC1CCOCC1 SY041962 [0,1,0,1,0,0|1,0,0]=3 479 B8R1.2 N#CC1CCCNC1 SY004324 [0,1,0,1,0,0|1,0,1]=4 480 B8R1.2 N#CC1CCNCC1 SY002496 [0,1,0,1,0,0|1,0,1]=4 481 B8R1.2 N#CC1CCOCC1 SY021355 [0,1,0,1,0,0|1,0,1]=4 482 B8R1.2 N#CC1CCSCC1 SY019840 [0,1,0,1,0,0|1,0,1]=4 483 B8R1.2 NCC1CCCCC1 SY001137 [0,1,0,1,0,0|1,0,0]=3 484 B8R1.2 NCC1CCCCO1 SY003242 [0,1,0,1,0,0|0,1,0]=3 485 B8R1.2 NCC1CCCOC1 SY020076 [0,1,0,1,0,0|1,0,0]=3 486 B8R1.2 NCC1CCOCC1 SY001214 [0,1,0,1,0,0|1,0,0]=3 487 B8R1.2 NCC1CNCCO1 SY005409 [0,1,0,1,0,0|1,1,0]=4 488 B8R1.2 NCC1COCCO1 SY035253 [0,1,0,1,0,0|1,1,0]=4 489 B8R1.2 NC[C@@H]1COCCO1 SY044998 [0,1,0,1,0,0|1,1,0]=4 490 B8R1.2 NC[C@H]1COCCO1 SY035251 [0,1,0,1,0,0|1,1,0]=4 491 B8R1.2 NNC1CCOCC1 SY010716 [0,1,0,1,0,0|2,0,0]=4 492 B8R1.2 NNC1CCOCC1 SY023220 [0,1,0,1,0,0|2,0,0]=4 493 B8R1.2 NOC1CCCCO1 SY004632 [0,1,0,1,0,0|1,1,0]=4 494 B8R1.2 O=CC1CCCCN1 SY239012 [0,1,0,1,0,0|0,1,1]=4 495 B8R1.2 O=CC1CCSCC1 SY014498 [0,1,0,1,0,0|0,1,1]=4 496 B8R1.2 OCC1CC=CCC1 SY036929 [0,1,0,1,0,0|0,1,1]=4 497 B8R1.2 OCC1CCCCC1 SY002783 [0,1,0,1,0,0|0,1,0]=3 498 B8R1.2 OCC1CCCCN1 SY009271 [0,1,0,1,0,0|0,1,0]=3 499 B8R1.2 OCC1CCCCO1 SY003220 [0,1,0,1,0,0|0,1,0]=3 500 B8R1.2 OCC1CCOCC1 SY002701 [0,1,0,1,0,0|0,1,0]=3 501 B8R1.2 OCC1CCSCC1 SY019602 [0,1,0,1,0,0|0,1,0]=3 502 B8R1.2 OCC1CNCCO1 SY107412 [0,1,0,1,0,0|1,1,0]=4 503 B8R1.2 OCC1COCCN1 SY003798 [0,1,0,1,0,0|1,1,0]=4 504 B8R1.2 OCC1COCCO1 SY019310 [0,1,0,1,0,0|1,1,0]=4 505 B8R1.2 OC[C@@H]1CCCCN1 SY105311 [0,1,0,1,0,0|0,1,0]=3 506 B8R1.2 OC[C@@H]1CCCNC1 SY067329 [0,1,0,1,0,0|0,1,0]=3 507 B8R1.2 OC[C@@H]1CCCNC1 SY068903 [0,1,0,1,0,0|0,1,0]=3 508 B8R1.2 OC[C@@H]1CNCCO1 SY029745 [0,1,0,1,0,0|1,1,0]=4 509 B8R1.2 OC[C@@H]1CNCCO1 SY129054 [0,1,0,1,0,0|1,1,0]=4 510 B8R1.2 OC[C@@H]1COCCN1 SY022551 [0,1,0,1,0,0|1,1,0]=4 511 B8R1.2 OC[C@@H]1COCCN1 SY029258 [0,1,0,1,0,0|1,1,0]=4 512 B8R1.2 OC[C@@H]1COCCO1 SY033160 [0,1,0,1,0,0|1,1,0]=4 513 B8R1.2 OC[C@H]1CCCNC1 SY027077 [0,1,0,1,0,0|0,1,0]=3 514 B8R1.2 OC[C@H]1CCCNC1 SY069039 [0,1,0,1,0,0|0,1,0]=3 515 B8R1.2 OC[C@H]1CNCCO1 SY024785 [0,1,0,1,0,0|1,1,0]=4 516 B8R1.2 OC[C@H]1CNCCO1 SY102185 [0,1,0,1,0,0|1,1,0]=4 517 B8R1.2 OC[C@H]1COCCN1 SY024782 [0,1,0,1,0,0|1,1,0]=4 518 B8R1.2 OC[C@H]1COCCO1 SY033161 [0,1,0,1,0,0|1,1,0]=4 519 B8R1.2 ON=C1CCCCC1 SY011165 [0,1,0,1,0,0|0,1,1]=4 520 B8R1.2 [C-]#[N+]C1CCOCC1 SY263033 [0,1,0,1,0,0|2,0,0]=4 521 B8R1.5 CC1CCCCC1N SY001916 [0,1,0,1,0,0|1,0,0]=3 522 B8R1.5 CC1CNCCN1C SY016183 [0,1,0,1,0,0|2,0,0]=4 523 B8R1.5 CC1COCCC1=O SY023092 [0,1,0,1,0,0|0,1,1]=4 524 B8R1.5 C[C@@H]1CCCC[C@@H]1N SY037542 [0,1,0,1,0,0|1,0,0]=3 525 B8R1.5 C[C@@H]1CNCCN1C SY033048 [0,1,0,1,0,0|2,0,0]=4 526 B8R1.5 C[C@@H]1NCCN[C@@H]1C SY274005 [0,1,0,1,0,0|2,0,0]=4 527 B8R1.5 C[C@@H]1NCCN[C@H]1C SY275439 [0,1,0,1,0,0|2,0,0]=4 528 B8R1.5 C[C@H]1CCCC[C@H]1N SY037541 [0,1,0,1,0,0|1,0,0]=3 529 B8R1.5 C[C@H]1CNCCN1C SY023797 [0,1,0,1,0,0|2,0,0]=4 530 B8R1.5 N[C@@H]1CCCC[C@@H]1O SY046252 [0,1,0,1,0,0|0,1,0]=3 531 B8R1.5 N[C@@H]1CCCC[C@H]1N SY001269 [0,1,0,1,0,0|1,0,0]=3 532 B8R1.5 N[C@@H]1CCCC[C@H]1N SY076505 [0,1,0,1,0,0|1,0,0]=3 533 B8R1.5 N[C@@H]1CCCC[C@H]1O SY026108 [0,1,0,1,0,0|0,1,0]=3 534 B8R1.5 N[C@@H]1CCCC[C@H]1O SY026111 [0,1,0,1,0,0|0,1,0]=3 535 B8R1.5 N[C@@H]1CCCC[C@H]1O SY026112 [0,1,0,1,0,0|0,1,0]=3 536 B8R1.5 N[C@@H]1CCCC[C@H]1O SY127907 [0,1,0,1,0,0|0,1,0]=3 537 B8R1.5 N[C@@H]1CCOC[C@H]1F SY099041 [0,1,0,1,0,0|2,0,0]=4 538 B8R1.5 N[C@@H]1CCOC[C@H]1O SY259261 [0,1,0,1,0,0|1,1,0]=4 539 B8R1.5 N[C@@H]1COCC[C@H]1O SY044939 [0,1,0,1,0,0|1,1,0]=4 540 B8R1.5 N[C@H]1CCCC[C@@H]1N SY004140 [0,1,0,1,0,0|1,0,0]=3 541 B8R1.5 N[C@H]1CCCC[C@@H]1O SY026110 [0,1,0,1,0,0|0,1,0]=3 542 B8R1.5 N[C@H]1CCCC[C@@H]1O SY026117 [0,1,0,1,0,0|0,1,0]=3 543 B8R1.5 N[C@H]1CCCC[C@H]1O SY014948 [0,1,0,1,0,0|0,1,0]=3 544 B8R1.5 N[C@H]1CCOC[C@@H]1O SY241084 [0,1,0,1,0,0|1,1,0]=4 545 B8R1.5 O=C1CCCCC1Cl SY038921 [0,1,0,1,0,0|0,1,1]=4 546 B8R1.5 OC1CCOCC1F SY099042 [0,1,0,1,0,0|1,1,0]=4 547 B8R1.5 O[C@@H]1CCCC[C@H]1O SY019731 [0,1,0,1,0,0|0,1,0]=3 548 B8R1.5 O[C@@H]1CCCC[C@H]1S SY268159 [0,1,0,1,0,0|0,0,0]=2 549 B8R1.5 O[C@@H]1CCNC[C@H]1F SY043299 [0,1,0,1,0,0|1,1,0]=4 550 B8R1.5 O[C@@H]1CNCC[C@H]1F SY038539 [0,1,0,1,0,0|1,1,0]=4 551 B8R1.8 BrCCN1CCCC1 SY040483 [0,1,0,1,0,0|1,0,0]=3 552 B8R1.8 C#CCN1CCCC1 SY102558 [0,1,0,1,0,0|1,0,1]=4 553 B8R1.8 C#CCN1CCCC1 SY146717 [0,1,0,1,0,0|1,0,1]=4 554 B8R1.8 CCO[C@@H]1CCNC1 SY011689 [0,1,0,1,0,0|2,0,0]=4 555 B8R1.8 CCO[C@H]1CCNC1 SY108177 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.8 CNCC1CCNC1 SY294056 [0,1,0,1,0,0|2,0,0]=4 557 B8R1.8 COCC1CCCN1 SY122813 [0,1,0,1,0,0|1,0,0]=3 558 B8R1.8 COC[C@H]1CCCN1 SY013140 [0,1,0,1,0,0|1,0,0]=3 559 B8R1.8 ClCCC1CCCC1 SY036243 [0,1,0,1,0,0|1,0,0]=3 560 B8R1.8 ClCCN1CCCC1 SY013128 [0,1,0,1,0,0|1,0,0]=3 561 B8R1.8 N#CCN1CCCC1 SY017301 [0,1,0,1,0,0|1,0,1]=4 562 B8R1.8 NCCC1OCCO1 SY052592 [0,1,0,1,0,0|1,1,0]=4 563 B8R1.8 O=CCN1CCCC1 SY263315 [0,1,0,1,0,0|0,1,1]=4 564 B8R1.8 OCCC1CCCC1 SY032290 [0,1,0,1,0,0|0,1,0]=3 565 B8R1.11 C#CC1CCCC1O SY007474 [0,1,0,1,0,0|0,1,1]=4 566 B8R1.11 C#CC1CCCN1C SY277506 [0,1,0,1,0,0|1,0,1]=4 567 B8R1.11 C#C[C@@H]1CCC[C@@H]1O SY224509 [0,1,0,1,0,0|0,1,1]=4 568 B8R1.11 C#C[C@@H]1CCC[C@H]1O SY122583 [0,1,0,1,0,0|0,1,1]=4 569 B8R1.11 CN1CCCC1CN SY065143 [0,1,0,1,0,0|1,0,0]=3 570 B8R1.11 CN1CCC[C@@H]1CO SY023398 [0,1,0,1,0,0|0,1,0]=3 571 B8R1.11 CN1CCC[C@H]1CO SY004710 [0,1,0,1,0,0|0,1,0]=3 572 B8R1.11 CO[C@@H]1CNC[C@@H]1F SY124372 [0,1,0,1,0,0|2,0,0]=4 573 B8R1.11 NC1CCCC1CO SY284162 [0,1,0,1,0,0|0,1,0]=3 574 B8R1.11 NCC1CCCC1=O SY158694 [0,1,0,1,0,0|0,1,1]=4 575 B8R1.11 NCC1CCCC1N SY043206 [0,1,0,1,0,0|1,0,0]=3 576 B8R1.11 NCC1CCCC1O SY188444 [0,1,0,1,0,0|0,1,0]=3 577 B8R1.11 OC[C@@H]1CNC[C@H]1O SY277380 [0,1,0,1,0,0|1,1,0]=4 578 B8R1.11 OC[C@@H]1CNC[C@H]1O SY277519 [0,1,0,1,0,0|1,1,0]=4 579 B8R1.11 OC[C@@H]1CNC[C@H]1O SY277520 [0,1,0,1,0,0|1,1,0]=4 580 B8R1.22 CC1CCNCCN1 SY033449 [0,1,0,1,0,0|1,0,0]=3 581 B8R1.22 CC1CNCCCO1 SY124393 [0,1,0,1,0,0|0,1,0]=3 582 B8R1.22 CN1CCCNCC1 SY002818 [0,1,0,1,0,0|2,0,0]=4 583 B8R1.22 FC1CNCCNC1 SY264756 [0,1,0,1,0,0|2,0,0]=4 584 B8R1.22 N[C@H]1CCCNCC1 SY280406 [0,1,0,1,0,0|1,0,0]=3 585 B8R1.22 O=C1CCCCNC1 SY040205 [0,1,0,1,0,0|0,1,1]=4 586 B8R1.22 O=C1CCCNCC1 SY017922 [0,1,0,1,0,0|0,1,1]=4 587 B8R1.22 O=C1CCCOCC1 SY036485 [0,1,0,1,0,0|0,1,1]=4 588 B8R1.22 OC1CCCOCC1 SY036492 [0,1,0,1,0,0|0,1,0]=3 589 B8R1.36 ClCCOCC1CO1 SY284587 [0,1,0,1,0,0|1,1,0]=4 590 B8R1.36 OCCNCC1CC1 SY033845 [0,1,0,1,0,0|0,1,0]=3 591 B8R1.49 C1=CCCCCCC1 SY010202 [0,1,0,1,0,0|1,0,0]=3 592 B8R1.49 C1CNCCCNC1 SY300849 [0,1,0,1,0,0|1,0,0]=3 593 B8R1.49 C1CNCCCNC1 SY307739 [0,1,0,1,0,0|1,0,0]=3 594 B8R1.1 CCC1CCC(=O)O1 SY015382 [0,1,0,1,0,0|0,1,1]=4 595 B8R1.1 CCN1CCC(O)C1 SY036930 [0,1,0,1,0,0|1,1,0]=4 596 B8R1.1 CN1CCC(CCl)C1 SY026835 [0,1,0,1,0,0|2,0,0]=4 597 B8R1.1 CN1CCC(CO)C1 SY023473 [0,1,0,1,0,0|1,1,0]=4 598 B8R1.1 CN1CC[C@@H](CO)C1 SY259236 [0,1,0,1,0,0|1,1,0]=4 599 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 SY252911 [0,1,0,1,0,0|1,0,0]=3 600 B8R1.1 NC[C@@H]1CC[C@H](O)C1 SY252910 [0,1,0,1,0,0|1,0,0]=3 601 B8R1.1 NN1CCC(CO)C1 SY308387 [0,1,0,1,0,0|1,1,0]=4 602 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 SY069048 [0,1,0,1,0,0|1,1,0]=4 603 B8R1.3 CC1CNC(C)CN1 SY002107 [0,1,0,1,0,0|2,0,0]=4 604 B8R1.3 CN1CCC(Br)CC1 SY033799 [0,1,0,1,0,0|2,0,0]=4 605 B8R1.3 CN1CCC(F)CC1 SY275512 [0,1,0,1,0,0|2,0,0]=4 606 B8R1.3 C[C@H]1CC[C@@H](N)CC1 SY235531 [0,1,0,1,0,0|1,0,0]=3 607 B8R1.3 C[C@H]1CC[C@H](N)CC1 SY022606 [0,1,0,1,0,0|1,0,0]=3 608 B8R1.3 C[C@H]1CC[C@H](N)CC1 SY025288 [0,1,0,1,0,0|1,0,0]=3 609 B8R1.3 C[C@H]1CC[C@H](O)CC1 SY043391 [0,1,0,1,0,0|0,1,0]=3 610 B8R1.3 C[C@H]1CO[C@@H](C)CN1 SY039550 [0,1,0,1,0,0|1,1,0]=4 611 B8R1.3 NC1CCC(=O)CC1 SY017243 [0,1,0,1,0,0|0,1,1]=4 612 B8R1.3 NC1CCC(N)CC1 SY112211 [0,1,0,1,0,0|1,0,0]=3 613 B8R1.3 NC1CCC(O)CC1 SY021212 [0,1,0,1,0,0|0,1,0]=3 614 B8R1.3 N[C@H]1CC[C@@H](O)CC1 SY016229 [0,1,0,1,0,0|0,1,0]=3 615 B8R1.3 N[C@H]1CC[C@@H](O)CC1 SY020495 [0,1,0,1,0,0|0,1,0]=3 616 B8R1.3 N[C@H]1CC[C@H](O)CC1 SY004216 [0,1,0,1,0,0|0,1,0]=3 617 B8R1.3 O=C1CCC(Br)CC1 SY275581 [0,1,0,1,0,0|0,1,1]=4 618 B8R1.3 O=C1CCC(O)CC1 SY005938 [0,1,0,1,0,0|0,1,1]=4 619 B8R1.3 OC1CCC(O)CC1 SY001809 [0,1,0,1,0,0|0,1,0]=3 620 B8R1.3 OC1CSC(O)CS1 SY003519 [0,1,0,1,0,0|2,0,0]=4 621 B8R1.3 O[C@H]1CC[C@H](O)CC1 SY040970 [0,1,0,1,0,0|0,1,0]=3 622 B8R1.52 CC1(CN)CCOC1 SY042173 [0,1,0,1,0,0|2,0,0]=4 623 B8R1.52 CC1(CO)CCNC1 SY072280 [0,1,0,1,0,0|1,1,0]=4 624 B8R1.52 CC1(CO)CCOC1 SY149881 [0,1,0,1,0,0|1,1,0]=4 625 B8R1.52 CCC1(O)CCCC1 SY052912 [0,1,0,1,0,0|1,0,0]=3 626 B8R1.52 CC[N+]1(C)CCCC1 SY047227 [0,1,0,1,0,0|2,0,0]=4 627 B8R1.52 NC1(CO)CCCC1 SY002988 [0,1,0,1,0,0|0,1,0]=3 628 B8R1.52 NC1(CO)CCNC1 SY036023 [0,1,0,1,0,0|1,1,0]=4 629 B8R1.4 CC1CC(O)CCO1 SY023229 [0,1,0,1,0,0|0,1,0]=3 630 B8R1.4 CC1CCCC(=O)N1 SY033090 [0,1,0,1,0,0|0,1,1]=4 631 B8R1.4 CC1CCCC(=O)O1 SY048899 [0,1,0,1,0,0|0,1,1]=4 632 B8R1.4 CC1CNCC(O)C1 SY208218 [0,1,0,1,0,0|1,1,0]=4 633 B8R1.4 CC1COCC(C)N1 SY022781 [0,1,0,1,0,0|2,0,0]=4 634 B8R1.4 CN1CCCC(Br)C1 SY007127 [0,1,0,1,0,0|2,0,0]=4 635 B8R1.4 CN1CCCC(N)C1 SY022779 [0,1,0,1,0,0|2,0,0]=4 636 B8R1.4 CN1CCCC(O)C1 SY224914 [0,1,0,1,0,0|1,1,0]=4 637 B8R1.4 CN1CCC[C@@H](N)C1 SY035248 [0,1,0,1,0,0|2,0,0]=4 638 B8R1.4 CN1CCC[C@H](N)C1 SY035249 [0,1,0,1,0,0|2,0,0]=4 639 B8R1.4 C[C@@H]1CC(=O)CCN1 SY259242 [0,1,0,1,0,0|1,0,1]=4 640 B8R1.4 C[C@@H]1CN(C)CCN1 SY253626 [0,1,0,1,0,0|2,0,0]=4 641 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 SY002764 [0,1,0,1,0,0|2,0,0]=4 642 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 SY014272 [0,1,0,1,0,0|1,1,0]=4 643 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 SY044731 [0,1,0,1,0,0|1,1,0]=4 644 B8R1.4 C[C@@H]1CNC[C@H](C)C1 SY023084 [0,1,0,1,0,0|2,0,0]=4 645 B8R1.4 C[C@@H]1COC[C@@H](C)N1 SY240361 [0,1,0,1,0,0|2,0,0]=4 646 B8R1.4 C[C@H]1CC(=O)CCN1 SY234011 [0,1,0,1,0,0|1,0,1]=4 647 B8R1.4 C[C@H]1CCCC(=O)C1 SY290780 [0,1,0,1,0,0|0,1,1]=4 648 B8R1.4 C[C@H]1CN(C)CCN1 SY102190 [0,1,0,1,0,0|2,0,0]=4 649 B8R1.4 C[C@H]1CNC[C@@H](C)O1 SY003478 [0,1,0,1,0,0|1,1,0]=4 650 B8R1.4 C[C@H]1CNC[C@H](C)O1 SY025495 [0,1,0,1,0,0|1,1,0]=4 651 B8R1.4 C[C@H]1COC[C@@H](C)N1 SY039555 [0,1,0,1,0,0|2,0,0]=4 652 B8R1.4 C[C@H]1COC[C@@H](C)N1 SY097636 [0,1,0,1,0,0|2,0,0]=4 653 B8R1.4 C[C@H]1COC[C@H](C)N1 SY039541 [0,1,0,1,0,0|2,0,0]=4 654 B8R1.4 C[C@H]1COC[C@H](C)N1 SY240351 [0,1,0,1,0,0|2,0,0]=4 655 B8R1.4 NC1CCCC(N)C1 SY288495 [0,1,0,1,0,0|1,0,0]=3 656 B8R1.4 NC1CCCC(O)C1 SY027772 [0,1,0,1,0,0|0,1,0]=3 657 B8R1.4 NC1CNCC(O)C1 SY272543 [0,1,0,1,0,0|1,1,0]=4 658 B8R1.4 N[C@H]1CCC[C@@H](N)C1 SY033397 [0,1,0,1,0,0|1,0,0]=3 659 B8R1.4 N[C@H]1CCC[C@@H](N)C1 SY111796 [0,1,0,1,0,0|1,0,0]=3 660 B8R1.6 NCCN1CC(F)C1 SY233159 [0,1,0,1,0,0|2,0,0]=4 661 B8R1.6 NCCN1CC(O)C1 SY233158 [0,1,0,1,0,0|2,0,0]=4 662 B8R1.7 CC(=O)C1CCCC1 SY035519 [0,1,0,1,0,0|0,1,1]=4 663 B8R1.7 CC(C)[C@@H]1CCCN1 SY099556 [0,1,0,1,0,0|1,0,0]=3 664 B8R1.7 FC(F)C1CCCN1 SY039463 [0,1,0,1,0,0|2,0,0]=4 665 B8R1.7 NC(=S)C1CCCC1 SY175580 [0,1,0,1,0,0|0,0,2]=4 666 B8R1.7 OB(O)C1CCCC1 SY023521 [0,1,0,1,0,0|1,1,0]=4 667 B8R1.19 CC1(C)CCCC1Br SY167402 [0,1,0,1,0,0|1,0,0]=3 668 B8R1.19 CC1(C)CNC[C@H]1O SY284254 [0,1,0,1,0,0|1,1,0]=4 669 B8R1.19 NC1CCCC1(F)F SY047796 [0,1,0,1,0,0|2,0,0]=4 670 B8R1.34 FC(F)CC1CNC1 SY274928 [0,1,0,1,0,0|2,0,0]=4 671 B8R1.34 O=C(O)CC1CCC1 SY011888 [0,1,0,1,0,0|0,1,1]=4 672 B8R1.35 CC(C)CNC1CC1 SY027578 [0,1,0,1,0,0|2,0,0]=4 673 B8R1.35 CC(C)CNC1CC1 SY027696 [0,1,0,1,0,0|2,0,0]=4 674 B8R1.35 O=C(O)CCC1CC1 SY042777 [0,1,0,1,0,0|0,1,1]=4 675 B8R1.35 O=[N+]([O-])CCC1CC1 SY266551 [0,1,0,1,0,0|1,1,0]=4 676 B8R1.48 OCC1CCC1(F)F SY098181 [0,1,0,1,0,0|1,1,0]=4 677 B8R1.72 CC1(Br)CCOCC1 SY232990 [0,1,0,1,0,0|2,0,0]=4 678 B8R1.72 CC1(C)CCNCC1 SY023190 [0,1,0,1,0,0|2,0,0]=4 679 B8R1.72 CC1(C)CCNCC1 SY025578 [0,1,0,1,0,0|2,0,0]=4 680 B8R1.72 CC1(C)CNCCN1 SY022639 [0,1,0,1,0,0|2,0,0]=4 681 B8R1.72 CC1(C)CNCCO1 SY005344 [0,1,0,1,0,0|1,1,0]=4 682 B8R1.72 CC1(C)CNCCO1 SY097274 [0,1,0,1,0,0|1,1,0]=4 683 B8R1.72 CC1(C)COCCN1 SY024354 [0,1,0,1,0,0|2,0,0]=4 684 B8R1.72 CC1(F)CCNCC1 SY038544 [0,1,0,1,0,0|2,0,0]=4 685 B8R1.72 CC1(N)CCNCC1 SY108162 [0,1,0,1,0,0|2,0,0]=4 686 B8R1.72 CC1(N)CCOCC1 SY025330 [0,1,0,1,0,0|2,0,0]=4 687 B8R1.72 CC1(O)CCCNC1 SY245913 [0,1,0,1,0,0|1,1,0]=4 688 B8R1.72 CC1(O)CCNCC1 SY008477 [0,1,0,1,0,0|1,1,0]=4 689 B8R1.72 CC1(O)CCNCC1 SY024786 [0,1,0,1,0,0|1,1,0]=4 690 B8R1.72 CC1(O)CCOCC1 SY110761 [0,1,0,1,0,0|1,1,0]=4 691 B8R1.72 C[C@]1(O)CCCNC1 SY294261 [0,1,0,1,0,0|1,1,0]=4 692 B8R1.72 Cl[Si]1(Cl)CCCCC1 SY265417 [0,1,0,1,0,0|1,1,0]=4 693 B8R1.72 FC1(F)CCCNC1 SY027548 [0,1,0,1,0,0|2,0,0]=4 694 B8R1.72 FC1(F)CCNCC1 SY011557 [0,1,0,1,0,0|2,0,0]=4 695 B8R1.72 FC1(F)CCNCC1 SY011558 [0,1,0,1,0,0|2,0,0]=4 696 B8R1.66 N#CCC1(O)CCC1 SY129261 [0,1,0,1,0,0|1,0,1]=4 697 B8R1.66 OCCC1(O)CCC1 SY208467 [0,1,0,1,0,0|0,1,0]=3 698 B8R2.11 BrC1C2COCC12 SY292987 [0,0,0,2,0,0|2,0,0]=4 699 B8R2.11 OC1C2CNCC12 SY253261 [0,0,0,2,0,0|1,1,0]=4 700 B8R2.11 OC1C2CNCC12 SY284496 [0,0,0,2,0,0|1,1,0]=4 701 B8R2.11 OC1C2COCC12 SY292988 [0,0,0,2,0,0|1,1,0]=4 702 B8R2.11 [C@H]12COC[C@H]1[C@@H]2N SY097361 [0,0,0,2,0,0|2,0,0]=4 703 B8R2.34 C1CC2CC1CN2 SY097467 [0,0,0,2,0,0|1,0,0]=3 704 B8R2.34 C1CC2CCC1N2 SY020142 [0,0,0,2,0,0|1,0,0]=3 705 B8R2.34 C1OC2CNC1C2 SY039544 [0,0,0,2,0,0|1,1,0]=4 706 B8R2.34 C1OC2CNC1C2 SY042104 [0,0,0,2,0,0|1,1,0]=4 707 B8R2.34 C1O[C@@H]2CN[C@H]1C2 SY020085 [0,0,0,2,0,0|1,1,0]=4 708 B8R2.34 C1O[C@H]2CN[C@@H]1C2 SY027151 [0,0,0,2,0,0|1,1,0]=4 709 B8R2.34 [C@@H]12CC[C@@H](CN1)C2 SY270533 [0,0,0,2,0,0|1,0,0]=3 710 B8R2.55 C1CC2(CC2)CN1 SY042290 [0,0,0,2,0,0|2,0,0]=4 711 B8R2.55 C1CCC2(C1)CO2 SY197069 [0,0,0,2,0,0|0,1,0]=3 712 B8R2.18 CN1CC2CC2C1 SY275513 [0,0,0,2,0,0|2,0,0]=4 713 B8R2.23 C1NCC2CC1C2 SY233831 [0,0,0,2,0,0|2,0,0]=4 714 B8R2.25 C1CC2OC2CO1 SY098970 [0,0,0,2,0,0|1,1,0]=4 715 B8R2.25 C1CNC2CC2C1 SY211945 [0,0,0,2,0,0|1,0,0]=3 716 B8R2.25 C1COC2CC2N1 SY116535 [0,0,0,2,0,0|1,1,0]=4 717 B8R2.38 [C@@H]12CC[C@@H](O)[C@@H]1C2 SY274832 [0,0,0,2,0,0|0,1,0]=3 718 B8R2.42 C1CC2(C1)CNC2 SY035871 [0,0,0,2,0,0|2,0,0]=4 719 B8R2.42 C1CC2(C1)CNC2 SY118878 [0,0,0,2,0,0|2,0,0]=4 720 B8R2.42 C1CC2(CNC2)O1 SY131088 [0,0,0,2,0,0|1,1,0]=4 721 B8R2.24 C1CC1NC2CC2 SY025776 [0,0,0,2,0,0|2,0,0]=4