0 B7R0.4 C#CCCCC(=N)N SY294770 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 C#CCCCC(=O)O SY026710 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.4 C#CCCCN(C)C SY023025 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.4 C=CCCCC(=O)O SY050075 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.4 C=CCCC[N+](=O)[O-] SY266521 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.4 CC(=O)OCCCCl SY106444 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.4 CC(C)CCCCO SY083602 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.4 CC(C)CCCON SY281839 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.4 CC(C)CCCON SY281840 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.4 CC(O)CSCCO SY269034 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.4 CCCCCC(N)=O SY051726 [0,0,0,0,0,0|1,0,0]=1 11 B7R0.4 CCCCC[N+](=O)[O-] SY266558 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.4 CCCNCC(C)C SY034221 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.4 CCCOCC(=O)O SY025048 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.4 CCOC=CC(=O)O SY030136 [0,0,0,0,0,0|2,0,2]=4 15 B7R0.4 CN(C)CCCC#N SY028278 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.4 CNCCCC(=O)O SY032531 [0,0,0,0,0,0|2,0,0]=2 17 B7R0.4 COCCCC(=O)O SY045907 [0,0,0,0,0,0|2,0,0]=2 18 B7R0.4 COCCC[N+](=O)[O-] SY266522 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.4 N#CCCCC(=O)O SY008532 [0,0,0,0,0,0|2,0,1]=3 20 B7R0.4 NC(=O)CCCCBr SY253590 [0,0,0,0,0,0|2,0,0]=2 21 B7R0.4 NC(=O)CCCCCl SY184285 [0,0,0,0,0,0|2,0,0]=2 22 B7R0.4 NC(=O)COCCCl SY007262 [0,0,0,0,0,0|3,0,0]=3 23 B7R0.4 NCCCCC(=O)O SY002964 [0,0,0,0,0,0|2,0,0]=2 24 B7R0.4 NCCCCC(N)=O SY247757 [0,0,0,0,0,0|2,0,0]=2 25 B7R0.4 O=C(Cl)CCCCF SY270893 [0,0,0,0,0,0|2,0,0]=2 26 B7R0.4 O=C(O)CCCCCl SY051600 [0,0,0,0,0,0|2,0,0]=2 27 B7R0.4 O=C(O)CCCCS SY141369 [0,0,0,0,0,0|2,0,0]=2 28 B7R0.4 O=C(O)COCCCl SY030518 [0,0,0,0,0,0|3,0,0]=3 29 B7R0.4 O=C([O-])CCCCO SY019284 [0,0,0,0,0,0|2,0,0]=2 30 B7R0.4 O=[N+]([O-])CCCCBr SY266567 [0,0,0,0,0,0|3,0,0]=3 31 B7R0.4 O=[N+]([O-])CCCCCl SY266516 [0,0,0,0,0,0|3,0,0]=3 32 B7R0.4 O=[N+]([O-])CCCCO SY235738 [0,0,0,0,0,0|3,0,0]=3 33 B7R0.4 [N-]=[N+]=NCCC(=O)O SY142459 [0,0,0,0,0,0|4,0,0]=4 34 B6R0.4 CC(=O)CCCO SY002852 [1,0,0,0,0,0|1,0,0]=2 35 B6R0.4 CC(=O)NCCN SY313725 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.4 CC(C)CCCO SY016761 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.4 CC(Cl)CCCO SY207412 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.4 CC(O)CCCO SY239899 [1,0,0,0,0,0|1,0,2]=4 39 B6R0.4 CCCCB(O)O SY012742 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.4 CCCCC(=N)N SY020380 [1,0,0,0,0,0|2,0,0]=3 41 B6R0.4 CCCCC(=N)N SY020382 [1,0,0,0,0,0|2,0,0]=3 42 B6R0.4 CCCOC(N)=O SY114484 [1,0,0,0,0,0|2,0,0]=3 43 B6R0.4 CN(C)CCCBr SY016763 [1,0,0,0,0,0|3,0,0]=4 44 B6R0.4 CN(C)CCCCl SY006370 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.4 CN(C)CCCCl SY021395 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.4 CN(C)CCCI SY247760 [1,0,0,0,0,0|3,0,0]=4 47 B6R0.4 CN(C)CCCI SY247768 [1,0,0,0,0,0|3,0,0]=4 48 B6R0.4 CNCCC(=O)O SY005345 [1,0,0,0,0,0|2,0,0]=3 49 B6R0.4 CNCCC(=O)O SY112486 [1,0,0,0,0,0|2,0,0]=3 50 B6R0.4 COCCC(=N)N SY185487 [1,0,0,0,0,0|3,0,0]=4 51 B6R0.4 COCCC(=O)O SY028921 [1,0,0,0,0,0|2,0,0]=3 52 B6R0.4 CO\C=C\C(C)=O SY029615 [1,0,0,0,0,0|1,0,2]=4 53 B6R0.4 N#CCCC(=O)O SY008516 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.4 NC(=O)NCCO SY038945 [1,0,0,0,0,0|3,0,0]=4 55 B6R0.4 NCCCC(N)=O SY174709 [1,0,0,0,0,0|2,0,0]=3 56 B6R0.4 O=C(O)CCCBr SY001501 [1,0,0,0,0,0|2,0,0]=3 57 B6R0.4 O=[N+]([O-])CCCBr SY266570 [1,0,0,0,0,0|3,0,0]=4 58 B6R0.4 O=[N+]([O-])CCCCl SY266515 [1,0,0,0,0,0|3,0,0]=4 59 B6R0.4 O=[N+]([O-])CCCO SY211657 [1,0,0,0,0,0|3,0,0]=4 60 B6R0.6 BrCCCCCBr SY004544 [1,0,0,0,0,0|2,0,1]=4 61 B6R0.6 C#CCCCCI SY047667 [1,0,0,0,0,0|1,0,2]=4 62 B6R0.6 C#CCCCCN SY069749 [1,0,0,0,0,0|1,0,2]=4 63 B6R0.6 C#CCCCCO SY020332 [1,0,0,0,0,0|1,0,2]=4 64 B6R0.6 C=CCCCCO SY020861 [1,0,0,0,0,0|1,0,1]=3 65 B6R0.6 C=CCCCON SY281553 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.6 C=CCCCON SY281554 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.6 CCCCCNN SY048085 [1,0,0,0,0,0|2,0,0]=3 68 B6R0.6 CCCCCON SY281671 [1,0,0,0,0,0|2,0,0]=3 69 B6R0.6 CCCCCON SY281672 [1,0,0,0,0,0|2,0,0]=3 70 B6R0.6 CCCCOCCl SY264650 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.6 CCNCCCO SY023800 [1,0,0,0,0,0|1,0,2]=4 72 B6R0.6 CCOCCNN SY048091 [1,0,0,0,0,0|3,0,0]=4 73 B6R0.6 CNCCCCO SY117259 [1,0,0,0,0,0|2,0,0]=3 74 B6R0.6 COCCCCCl SY015495 [1,0,0,0,0,0|2,0,0]=3 75 B6R0.6 COCCCNN SY048087 [1,0,0,0,0,0|3,0,0]=4 76 B6R0.6 COCCCON SY201326 [1,0,0,0,0,0|3,0,0]=4 77 B6R0.6 COCCCON SY281583 [1,0,0,0,0,0|3,0,0]=4 78 B6R0.6 COCOCCN SY250694 [1,0,0,0,0,0|3,0,0]=4 79 B6R0.6 C\C=C\CCCO SY066633 [1,0,0,0,0,0|1,0,1]=3 80 B6R0.6 ClCCCCCBr SY048983 [1,0,0,0,0,0|2,0,1]=4 81 B6R0.6 ICCCCCI SY048751 [1,0,0,0,0,0|2,0,1]=4 82 B6R0.6 N#CCCCCCl SY004990 [1,0,0,0,0,0|2,0,1]=4 83 B6R0.6 N#CCCCCN SY040472 [1,0,0,0,0,0|2,0,1]=4 84 B6R0.6 NCCCCCO SY049614 [1,0,0,0,0,0|1,0,2]=4 85 B6R0.6 O=CCCCCCl SY024458 [1,0,0,0,0,0|1,0,0]=2 86 B6R0.6 O=CCCCCO SY047027 [1,0,0,0,0,0|1,0,0]=2 87 B6R0.6 O=CNCCCO SY261924 [1,0,0,0,0,0|2,0,0]=3 88 B6R0.6 OCCCCCCl SY050042 [1,0,0,0,0,0|1,0,2]=4 89 B8R0.5 CCCC(C)OC(=O)Cl SY285574 [0,1,0,0,0,0|2,0,0]=3 90 B8R0.5 CCOC(=O)CC(=O)O SY003789 [0,1,0,0,0,0|2,0,1]=4 91 B8R0.5 CCOC(=O)CC(=O)[O-] SY004359 [0,1,0,0,0,0|2,0,1]=4 92 B8R0.5 CCOC(=O)CC(N)=O SY015543 [0,1,0,0,0,0|2,0,1]=4 93 B8R0.6 C#CCCCC(=O)OC SY275105 [0,1,0,0,0,0|0,0,2]=3 94 B8R0.6 C#C[C@@H](O)CCCCC SY029413 [0,1,0,0,0,0|0,0,3]=4 95 B8R0.6 CCC\C=C\C(=O)OC SY015809 [0,1,0,0,0,0|0,0,2]=3 96 B8R0.6 CCNCCC(=O)OC SY019881 [0,1,0,0,0,0|1,0,0]=2 97 B8R0.6 CNCCCC(=O)NN SY289472 [0,1,0,0,0,0|2,0,0]=3 98 B8R0.6 COC(=O)CCCC#N SY025759 [0,1,0,0,0,0|1,0,1]=3 99 B8R0.6 COC(=O)CCCC=O SY056793 [0,1,0,0,0,0|1,0,1]=3 100 B8R0.6 COC(=O)CCCCBr SY013898 [0,1,0,0,0,0|1,0,0]=2 101 B8R0.6 COC(=O)CCCCN SY117564 [0,1,0,0,0,0|1,0,0]=2 102 B8R0.6 COCCCC(=O)OC SY096667 [0,1,0,0,0,0|1,0,0]=2 103 B8R0.7 C#CCCCCC(=O)O SY021705 [0,1,0,0,0,0|1,0,1]=3 104 B8R0.7 C#CCOCCC(=O)O SY128339 [0,1,0,0,0,0|1,0,2]=4 105 B8R0.7 C=CCCCC[N+](=O)[O-] SY266523 [0,1,0,0,0,0|2,0,1]=4 106 B8R0.7 CC(=O)CCCN=[N+]=[N-] SY263051 [0,1,0,0,0,0|2,0,0]=3 107 B8R0.7 CC(=O)OCCCCBr SY048653 [0,1,0,0,0,0|1,0,0]=2 108 B8R0.7 CC(=O)OCCCCO SY294143 [0,1,0,0,0,0|1,0,0]=2 109 B8R0.7 CC(=O)SCCCCN SY290150 [0,1,0,0,0,0|1,0,0]=2 110 B8R0.7 CC(C)NCCCCO SY054140 [0,1,0,0,0,0|2,0,1]=4 111 B8R0.7 CCCCCCB(O)O SY017961 [0,1,0,0,0,0|2,0,1]=4 112 B8R0.7 CCCCCC[C@@H](C)O SY038272 [0,1,0,0,0,0|0,0,2]=3 113 B8R0.7 CCCCCC[N+](=O)[O-] SY266557 [0,1,0,0,0,0|2,0,0]=3 114 B8R0.7 CCCCOCC(=O)O SY002472 [0,1,0,0,0,0|1,0,0]=2 115 B8R0.7 CCNCCCN(C)C SY023941 [0,1,0,0,0,0|2,0,0]=3 116 B8R0.7 CN(C)CCCCC#N SY041202 [0,1,0,0,0,0|2,0,1]=4 117 B8R0.7 CN(C)CCCCCN SY040702 [0,1,0,0,0,0|2,0,0]=3 118 B8R0.7 CN(C)CCNCCO SY270833 [0,1,0,0,0,0|3,0,0]=4 119 B8R0.7 COCCCC[N+](=O)[O-] SY266559 [0,1,0,0,0,0|2,0,0]=3 120 B8R0.7 COCCOCC(=O)O SY035294 [0,1,0,0,0,0|2,0,0]=3 121 B8R0.7 N#CCCCC[N+](=O)[O-] SY266598 [0,1,0,0,0,0|2,0,1]=4 122 B8R0.7 N=C(N)NCCCCN SY033517 [0,1,0,0,0,0|3,0,0]=4 123 B8R0.7 NC(=O)CCCCCBr SY103908 [0,1,0,0,0,0|1,0,0]=2 124 B8R0.7 NC(=O)CCCCCO SY247977 [0,1,0,0,0,0|1,0,0]=2 125 B8R0.7 NCCCCCC(=O)O SY003109 [0,1,0,0,0,0|1,0,0]=2 126 B8R0.7 NCCCCCC(N)=O SY247974 [0,1,0,0,0,0|1,0,0]=2 127 B8R0.7 O=C(O)CCCCCCl SY053214 [0,1,0,0,0,0|1,0,0]=2 128 B8R0.7 O=C(O)CCCCCO SY032043 [0,1,0,0,0,0|1,0,0]=2 129 B8R0.7 O=C(O)CCOCCBr SY273001 [0,1,0,0,0,0|2,0,0]=3 130 B8R0.7 O=C(O)CCOCCO SY293391 [0,1,0,0,0,0|2,0,0]=3 131 B8R0.7 O=C([O-])CCCCCO SY121174 [0,1,0,0,0,0|1,0,0]=2 132 B8R0.7 O=[N+]([O-])CCCCCBr SY266569 [0,1,0,0,0,0|2,0,0]=3 133 B8R0.7 O=[N+]([O-])CCCCCCl SY266512 [0,1,0,0,0,0|2,0,0]=3 134 B8R0.7 O=[N+]([O-])CCCCCO SY266588 [0,1,0,0,0,0|2,0,0]=3 135 B8R0.8 C=CCC[C@@H](N)C(=O)O SY254077 [0,1,0,0,0,0|1,0,2]=4 136 B8R0.8 CCCCC(N)C(=O)O SY038236 [0,1,0,0,0,0|1,0,0]=2 137 B8R0.8 CCCC[C@@H](N)C(=O)O SY062052 [0,1,0,0,0,0|1,0,0]=2 138 B8R0.8 CCCC[C@H](N)C(=O)O SY036145 [0,1,0,0,0,0|1,0,0]=2 139 B8R0.8 CSCC[C@@H](N)C(=O)O SY004418 [0,1,0,0,0,0|2,0,0]=3 140 B8R0.8 NCCCC(N)C(=O)O SY005810 [0,1,0,0,0,0|2,0,0]=3 141 B8R0.8 NCCC[C@@H](N)C(=O)O SY007936 [0,1,0,0,0,0|2,0,0]=3 142 B8R0.8 NCCC[C@H](N)C(=O)O SY005520 [0,1,0,0,0,0|2,0,0]=3 143 B8R0.8 NCCC[C@H](N)C(=O)O SY066991 [0,1,0,0,0,0|2,0,0]=3 144 B8R0.8 N[C@@H](CCCO)C(=O)O SY269711 [0,1,0,0,0,0|2,0,0]=3 145 B8R0.9 C=C[C@@H](N)CCC(=O)O SY263247 [0,1,0,0,0,0|1,0,2]=4 146 B8R0.9 CCC(=O)CCC(=O)O SY270773 [0,1,0,0,0,0|1,0,1]=3 147 B8R0.9 CCC(C)COC(=O)Cl SY036985 [0,1,0,0,0,0|2,0,0]=3 148 B8R0.9 CCC(Cl)CCC(=O)Cl SY027792 [0,1,0,0,0,0|1,0,0]=2 149 B8R0.9 COC(=O)CCC(=O)O SY009523 [0,1,0,0,0,0|2,0,1]=4 150 B8R0.9 COC(=O)CCC(C)=O SY048239 [0,1,0,0,0,0|1,0,1]=3 151 B8R0.9 NCC(=O)CCC(=O)O SY017972 [0,1,0,0,0,0|2,0,1]=4 152 B8R0.21 CCCCCS(=O)(=O)[O-] SY013397 [0,1,0,0,0,0|2,0,0]=3 153 B8R0.21 CCCCOS(C)(=O)=O SY058921 [0,1,0,0,0,0|2,0,0]=3 154 B8R0.21 COCCCS(=O)(=O)O SY011651 [0,1,0,0,0,0|3,0,0]=4 155 B8R0.21 COCCOS(C)(=O)=O SY055164 [0,1,0,0,0,0|3,0,0]=4 156 B8R0.21 O=S(=O)(Cl)CCCCCl SY006380 [0,1,0,0,0,0|3,0,0]=4 157 B8R0.28 CC(=O)CCCC(=O)O SY015106 [0,1,0,0,0,0|1,0,1]=3 158 B8R0.28 CC(=O)CCCC(C)=O SY253771 [0,1,0,0,0,0|0,0,1]=2 159 B8R0.28 CC(=O)CCCN(C)C SY147772 [0,1,0,0,0,0|1,0,0]=2 160 B8R0.28 CC(=O)NCCC(=O)O SY025089 [0,1,0,0,0,0|2,0,1]=4 161 B8R0.28 CC(C)CCCC(C)N SY264522 [0,1,0,0,0,0|1,0,1]=3 162 B8R0.28 CC(C)CCC[N+](=O)[O-] SY266599 [0,1,0,0,0,0|2,0,0]=3 163 B8R0.28 CC(C)CCOC(=O)Cl SY032117 [0,1,0,0,0,0|2,0,0]=3 164 B8R0.28 CN(C)CCCC(=O)O SY058453 [0,1,0,0,0,0|2,0,0]=3 165 B8R0.28 O=C(O)CCCC(=O)O SY029948 [0,1,0,0,0,0|2,0,1]=4 166 B8R1.1 CCC1=CCC(C)=C1 SY308291 [0,0,0,1,0,0|1,0,2]=4 167 B8R1.1 CCC1CCC(=O)O1 SY015382 [0,0,0,1,0,0|1,0,0]=2 168 B8R1.1 CCN1CCC(O)C1 SY036930 [0,0,0,1,0,0|1,0,2]=4 169 B8R1.1 CN1CCC(CCl)C1 SY026835 [0,0,0,1,0,0|3,0,0]=4 170 B8R1.1 CN1CCC(CO)C1 SY023473 [0,0,0,1,0,0|3,0,0]=4 171 B8R1.1 CN1CC[C@@H](CO)C1 SY259236 [0,0,0,1,0,0|3,0,0]=4 172 B8R1.1 CO[C@H]1CCN(C)C1 SY275508 [0,0,0,1,0,0|3,0,0]=4 173 B8R1.1 N#CC1CCC(=O)C1 SY038122 [0,0,0,1,0,0|1,0,1]=3 174 B8R1.1 NCC1CCC(=O)N1 SY006694 [0,0,0,1,0,0|2,0,0]=3 175 B8R1.1 NCC1COC(=O)N1 SY040257 [0,0,0,1,0,0|3,0,0]=4 176 B8R1.1 NC[C@@H]1CCC(=O)N1 SY045358 [0,0,0,1,0,0|2,0,0]=3 177 B8R1.1 NC[C@@H]1CCC(=O)N1 SY215400 [0,0,0,1,0,0|2,0,0]=3 178 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 SY252911 [0,0,0,1,0,0|1,0,2]=4 179 B8R1.1 NC[C@@H]1CC[C@H](O)C1 SY252910 [0,0,0,1,0,0|1,0,2]=4 180 B8R1.1 NC[C@H]1CCC(=O)N1 SY024297 [0,0,0,1,0,0|2,0,0]=3 181 B8R1.1 NN1CCC(CO)C1 SY308387 [0,0,0,1,0,0|3,0,0]=4 182 B8R1.1 O=C1CC(CBr)CN1 SY205276 [0,0,0,1,0,0|2,0,0]=3 183 B8R1.1 O=C1CC(CO)CN1 SY008749 [0,0,0,1,0,0|2,0,0]=3 184 B8R1.1 O=C1CCC(CBr)O1 SY250804 [0,0,0,1,0,0|2,0,0]=3 185 B8R1.1 O=C1CCC(CO)N1 SY059670 [0,0,0,1,0,0|2,0,0]=3 186 B8R1.1 O=C1CC[C@@H](CBr)N1 SY033743 [0,0,0,1,0,0|2,0,0]=3 187 B8R1.1 O=C1CC[C@@H](CO)N1 SY004165 [0,0,0,1,0,0|2,0,0]=3 188 B8R1.1 O=C1CC[C@@H](CO)O1 SY010497 [0,0,0,1,0,0|2,0,0]=3 189 B8R1.1 O=C1CC[C@H](CBr)N1 SY066920 [0,0,0,1,0,0|2,0,0]=3 190 B8R1.1 O=C1CC[C@H](CO)N1 SY004164 [0,0,0,1,0,0|2,0,0]=3 191 B8R1.1 O=C1NC(CO)CO1 SY038213 [0,0,0,1,0,0|3,0,0]=4 192 B8R1.1 O=C1NCC(CO)O1 SY005286 [0,0,0,1,0,0|3,0,0]=4 193 B8R1.1 O=C1N[C@@H](CO)CO1 SY284529 [0,0,0,1,0,0|3,0,0]=4 194 B8R1.1 O=C1N[C@H](CO)CO1 SY251331 [0,0,0,1,0,0|3,0,0]=4 195 B8R1.1 O=C1OCC(CO)O1 SY037075 [0,0,0,1,0,0|3,0,0]=4 196 B8R1.4 CC1=CC(=O)CCC1 SY011435 [0,0,0,1,0,0|0,0,2]=3 197 B8R1.4 CC1CC(O)CCO1 SY023229 [0,0,0,1,0,0|1,0,2]=4 198 B8R1.4 CC1CCCC(=O)N1 SY033090 [0,0,0,1,0,0|1,0,0]=2 199 B8R1.4 CC1CCCC(=O)O1 SY048899 [0,0,0,1,0,0|1,0,0]=2 200 B8R1.4 CC1CCNC(=O)C1 SY033089 [0,0,0,1,0,0|1,0,0]=2 201 B8R1.4 CC1CNCC(O)C1 SY208218 [0,0,0,1,0,0|1,0,2]=4 202 B8R1.4 CC1COCC(C)N1 SY022781 [0,0,0,1,0,0|2,0,1]=4 203 B8R1.4 CN1CCCC(=O)C1 SY023480 [0,0,0,1,0,0|1,0,0]=2 204 B8R1.4 CN1CCCC(Br)C1 SY007127 [0,0,0,1,0,0|2,0,1]=4 205 B8R1.4 CN1CCCC(N)C1 SY022779 [0,0,0,1,0,0|2,0,1]=4 206 B8R1.4 CN1CCCC(O)C1 SY224914 [0,0,0,1,0,0|1,0,2]=4 207 B8R1.4 CN1CCC[C@@H](N)C1 SY035248 [0,0,0,1,0,0|2,0,1]=4 208 B8R1.4 CN1CCC[C@H](N)C1 SY035249 [0,0,0,1,0,0|2,0,1]=4 209 B8R1.4 C[C@@H]1CC(=O)CCN1 SY259242 [0,0,0,1,0,0|1,0,0]=2 210 B8R1.4 C[C@@H]1CN(C)CCN1 SY253626 [0,0,0,1,0,0|3,0,0]=4 211 B8R1.4 C[C@@H]1CNCC(=O)N1 SY259669 [0,0,0,1,0,0|2,0,0]=3 212 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 SY002764 [0,0,0,1,0,0|2,0,1]=4 213 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 SY014272 [0,0,0,1,0,0|1,0,2]=4 214 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 SY044731 [0,0,0,1,0,0|1,0,2]=4 215 B8R1.4 C[C@@H]1CNC[C@H](C)C1 SY023084 [0,0,0,1,0,0|2,0,1]=4 216 B8R1.4 C[C@@H]1COC[C@@H](C)N1 SY240361 [0,0,0,1,0,0|2,0,1]=4 217 B8R1.4 C[C@H]1CC(=O)CCN1 SY234011 [0,0,0,1,0,0|1,0,0]=2 218 B8R1.4 C[C@H]1CCCC(=O)C1 SY290780 [0,0,0,1,0,0|0,0,0]=1 219 B8R1.4 C[C@H]1CN(C)CCN1 SY102190 [0,0,0,1,0,0|3,0,0]=4 220 B8R1.4 C[C@H]1CNC[C@@H](C)O1 SY003478 [0,0,0,1,0,0|1,0,2]=4 221 B8R1.4 C[C@H]1CNC[C@H](C)O1 SY025495 [0,0,0,1,0,0|1,0,2]=4 222 B8R1.4 C[C@H]1COC[C@@H](C)N1 SY039555 [0,0,0,1,0,0|2,0,1]=4 223 B8R1.4 C[C@H]1COC[C@@H](C)N1 SY097636 [0,0,0,1,0,0|2,0,1]=4 224 B8R1.4 C[C@H]1COC[C@H](C)N1 SY039541 [0,0,0,1,0,0|2,0,1]=4 225 B8R1.4 C[C@H]1COC[C@H](C)N1 SY240351 [0,0,0,1,0,0|2,0,1]=4 226 B8R1.4 NC1=CC(=O)CCC1 SY019251 [0,0,0,1,0,0|1,0,2]=4 227 B8R1.4 NC1CCCC(N)C1 SY288495 [0,0,0,1,0,0|2,0,1]=4 228 B8R1.4 NC1CCCC(O)C1 SY027772 [0,0,0,1,0,0|1,0,2]=4 229 B8R1.4 NC1CCNC(=O)C1 SY098707 [0,0,0,1,0,0|2,0,0]=3 230 B8R1.4 N[C@H]1CCC[C@@H](N)C1 SY033397 [0,0,0,1,0,0|2,0,1]=4 231 B8R1.4 N[C@H]1CCC[C@@H](N)C1 SY111796 [0,0,0,1,0,0|2,0,1]=4 232 B8R1.4 O=C1CC(O)CCN1 SY029027 [0,0,0,1,0,0|2,0,0]=3 233 B8R1.4 O=C1CCCC(=O)C1 SY004453 [0,0,0,1,0,0|1,0,1]=3 234 B8R1.4 O=C1CCCC(=O)N1 SY049583 [0,0,0,1,0,0|2,0,1]=4 235 B8R1.4 O=C1CCNC(=O)C1 SY004226 [0,0,0,1,0,0|2,0,1]=4 236 B8R1.4 O=C1CNCC(=O)C1 SY263702 [0,0,0,1,0,0|2,0,1]=4 237 B8R1.4 O=C1COCC(=O)C1 SY042206 [0,0,0,1,0,0|2,0,1]=4 238 B8R1.4 O=C1C[C@H](O)CCN1 SY238615 [0,0,0,1,0,0|2,0,0]=3 239 B8R1.6 CCNC1CN(C)C1 SY023943 [0,0,0,1,0,0|3,0,0]=4 240 B8R1.7 CC(=O)C1CCCC1 SY035519 [0,0,0,1,0,0|0,0,0]=1 241 B8R1.7 CC(C)[C@@H]1CCCN1 SY099556 [0,0,0,1,0,0|2,0,1]=4 242 B8R1.7 CN(C)C1CCNC1 SY067315 [0,0,0,1,0,0|3,0,0]=4 243 B8R1.7 CN(C)[C@@H]1CCNC1 SY002497 [0,0,0,1,0,0|3,0,0]=4 244 B8R1.7 CN(C)[C@H]1CCNC1 SY003916 [0,0,0,1,0,0|3,0,0]=4 245 B8R1.7 CN(C)[C@H]1CCNC1 SY020397 [0,0,0,1,0,0|3,0,0]=4 246 B8R1.7 NC(=O)C1CCCO1 SY012530 [0,0,0,1,0,0|2,0,0]=3 247 B8R1.7 NC(=O)[C@@H]1CCCN1 SY003793 [0,0,0,1,0,0|2,0,0]=3 248 B8R1.7 NC(=O)[C@@H]1CCNC1 SY010578 [0,0,0,1,0,0|2,0,0]=3 249 B8R1.7 NC(=O)[C@H]1CCCN1 SY008764 [0,0,0,1,0,0|2,0,0]=3 250 B8R1.7 NC(=O)[C@H]1CCNC1 SY008249 [0,0,0,1,0,0|2,0,0]=3 251 B8R1.7 NC(=O)[C@H]1CCNC1 SY024593 [0,0,0,1,0,0|2,0,0]=3 252 B8R1.7 NC(=S)C1CCCC1 SY175580 [0,0,0,1,0,0|1,1,0]=3 253 B8R1.7 O=C(Cl)C1CCCO1 SY084361 [0,0,0,1,0,0|2,0,0]=3 254 B8R1.7 O=C(Cl)C1CCOC1 SY211383 [0,0,0,1,0,0|2,0,0]=3 255 B8R1.7 O=C(O)C1=CCCC1 SY027520 [0,0,0,1,0,0|1,0,2]=4 256 B8R1.7 O=C(O)C1CC=CC1 SY003813 [0,0,0,1,0,0|1,0,2]=4 257 B8R1.7 O=C(O)C1CCCN1 SY006205 [0,0,0,1,0,0|2,0,0]=3 258 B8R1.7 O=C(O)C1CCNC1 SY008997 [0,0,0,1,0,0|2,0,0]=3 259 B8R1.7 O=C(O)C1CCOC1 SY031543 [0,0,0,1,0,0|2,0,0]=3 260 B8R1.7 O=C(O)[C@@H]1CCCN1 SY001305 [0,0,0,1,0,0|2,0,0]=3 261 B8R1.7 O=C(O)[C@@H]1CCCO1 SY016392 [0,0,0,1,0,0|2,0,0]=3 262 B8R1.7 O=C(O)[C@@H]1CCNC1 SY010178 [0,0,0,1,0,0|2,0,0]=3 263 B8R1.7 O=C(O)[C@@H]1CCOC1 SY016391 [0,0,0,1,0,0|2,0,0]=3 264 B8R1.7 O=C(O)[C@H]1CCCN1 SY001352 [0,0,0,1,0,0|2,0,0]=3 265 B8R1.7 O=C(O)[C@H]1CCNC1 SY010177 [0,0,0,1,0,0|2,0,0]=3 266 B8R1.7 O=C(O)[C@H]1CCOC1 SY016390 [0,0,0,1,0,0|2,0,0]=3 267 B8R1.7 O=C([O-])C1CCC=N1 SY100503 [0,0,0,1,0,0|2,0,1]=4 268 B8R1.7 OB(O)C1CCCC1 SY023521 [0,0,0,1,0,0|2,0,1]=4 269 B8R1.7 OC(=S)[C@@H]1CCCO1 SY299828 [0,0,0,1,0,0|2,0,1]=4 270 B8R1.7 S=C([S-])N1CCCC1 SY061866 [0,0,0,1,0,0|2,1,0]=4 271 B8R1.19 CC1(C)CCCC1Br SY167402 [0,0,0,1,0,0|2,0,1]=4 272 B8R1.19 CN1CCCS1(=O)=O SY031095 [0,0,0,1,0,0|3,0,0]=4 273 B8R1.22 CC1CCNCCN1 SY033449 [0,0,0,1,0,0|2,0,1]=4 274 B8R1.22 CC1CNCCCO1 SY124393 [0,0,0,1,0,0|1,0,2]=4 275 B8R1.22 CN1CCCNCC1 SY002818 [0,0,0,1,0,0|3,0,0]=4 276 B8R1.22 N[C@H]1CCCNCC1 SY280406 [0,0,0,1,0,0|2,0,1]=4 277 B8R1.22 O=C1C=CCCCC1 SY041083 [0,0,0,1,0,0|0,0,2]=3 278 B8R1.22 O=C1CCCCNC1 SY040205 [0,0,0,1,0,0|1,0,0]=2 279 B8R1.22 O=C1CCCNCC1 SY017922 [0,0,0,1,0,0|1,0,0]=2 280 B8R1.22 O=C1CCCOCC1 SY036485 [0,0,0,1,0,0|1,0,0]=2 281 B8R1.22 O=C1CCNCCN1 SY019808 [0,0,0,1,0,0|2,0,0]=3 282 B8R1.22 O=C1CCNCCN1 SY075066 [0,0,0,1,0,0|2,0,0]=3 283 B8R1.22 O=C1CCOCCN1 SY029460 [0,0,0,1,0,0|2,0,0]=3 284 B8R1.22 O=C1CNCCCN1 SY032801 [0,0,0,1,0,0|2,0,0]=3 285 B8R1.22 OC1CCCOCC1 SY036492 [0,0,0,1,0,0|1,0,2]=4 286 B8R1.34 O=C(O)C=C1CCC1 SY042126 [0,0,0,1,0,0|1,0,2]=4 287 B8R1.34 O=C(O)CC1CCC1 SY011888 [0,0,0,1,0,0|1,0,0]=2 288 B8R1.34 O=C(O)CC1COC1 SY025445 [0,0,0,1,0,0|2,0,0]=3 289 B8R1.35 CC(C)CNC1CC1 SY027578 [0,0,0,1,0,0|2,0,1]=4 290 B8R1.35 CC(C)CNC1CC1 SY027696 [0,0,0,1,0,0|2,0,1]=4 291 B8R1.35 O=C(Cl)OCC1CC1 SY248050 [0,0,0,1,0,0|2,0,0]=3 292 B8R1.35 O=C(O)C=CC1CC1 SY263204 [0,0,0,1,0,0|1,0,2]=4 293 B8R1.35 O=C(O)CCC1CC1 SY042777 [0,0,0,1,0,0|1,0,0]=2 294 B8R1.35 O=[N+]([O-])CCC1CC1 SY266551 [0,0,0,1,0,0|2,0,0]=3 295 B8R1.72 CC1(Br)CCOCC1 SY232990 [0,0,0,1,0,0|2,0,1]=4 296 B8R1.72 CC1(C)CCNCC1 SY023190 [0,0,0,1,0,0|2,0,1]=4 297 B8R1.72 CC1(C)CCNCC1 SY025578 [0,0,0,1,0,0|2,0,1]=4 298 B8R1.72 CC1(F)CCNCC1 SY038544 [0,0,0,1,0,0|2,0,1]=4 299 B8R1.72 CC1(N)CCNCC1 SY108162 [0,0,0,1,0,0|2,0,1]=4 300 B8R1.72 CC1(N)CCOCC1 SY025330 [0,0,0,1,0,0|2,0,1]=4 301 B8R1.72 CC1(O)CCCNC1 SY245913 [0,0,0,1,0,0|1,0,2]=4 302 B8R1.72 CC1(O)CCNCC1 SY008477 [0,0,0,1,0,0|1,0,2]=4 303 B8R1.72 CC1(O)CCNCC1 SY024786 [0,0,0,1,0,0|1,0,2]=4 304 B8R1.72 CC1(O)CCOCC1 SY110761 [0,0,0,1,0,0|1,0,2]=4 305 B8R1.72 C[C@]1(O)CCCNC1 SY294261 [0,0,0,1,0,0|1,0,2]=4 306 B8R1.72 C[N+]1([O-])CCOCC1 SY001736 [0,0,0,1,0,0|2,0,1]=4 307 B8R1.72 C[N+]1([O-])CCOCC1 SY007395 [0,0,0,1,0,0|2,0,1]=4 308 B8R1.72 C[Si]1(C)CCNCC1 SY035064 [0,0,0,1,0,0|2,1,0]=4 309 B8R1.72 Cl[Si]1(Cl)CCCCC1 SY265417 [0,0,0,1,0,0|2,1,0]=4 310 B8R1.72 N=S1(=O)CCNCC1 SY199118 [0,0,0,1,0,0|3,0,0]=4 311 B8R1.72 N=S1(=O)CCNCC1 SY265625 [0,0,0,1,0,0|3,0,0]=4 312 B8R1.72 O=S1(=O)CCCCN1 SY025101 [0,0,0,1,0,0|3,0,0]=4 313 B8R1.72 O=S1(=O)CCCCO1 SY006382 [0,0,0,1,0,0|3,0,0]=4 314 B8R1.72 O=S1(=O)CCNCC1 SY002390 [0,0,0,1,0,0|3,0,0]=4 315 B8R1.72 O=S1(=O)CCNCC1 SY025546 [0,0,0,1,0,0|3,0,0]=4 316 B8R1.72 O=S1(=O)CCOCC1 SY048211 [0,0,0,1,0,0|3,0,0]=4 317 B5R0.1 CC#CC(C)=O SY262884 [2,0,0,0,0,0|0,0,2]=4 318 B5R0.1 CC(=O)CCN SY263173 [2,0,0,0,0,0|1,0,0]=3 319 B5R0.1 CC(=O)CCO SY002849 [2,0,0,0,0,0|1,0,0]=3 320 B5R0.1 CC(=O)NCO SY047960 [2,0,0,0,0,0|2,0,0]=4 321 B5R0.1 CC(=O)OCBr SY051438 [2,0,0,0,0,0|2,0,0]=4 322 B5R0.1 CCC[C@@H](C)O SY045083 [2,0,0,0,0,0|0,0,2]=4 323 B5R0.1 CCNC(C)=O SY016499 [2,0,0,0,0,0|1,0,0]=3 324 B5R0.1 CNCC(=O)O SY001630 [2,0,0,0,0,0|2,0,0]=4 325 B5R0.1 CNCC(N)=O SY059741 [2,0,0,0,0,0|2,0,0]=4 326 B5R0.1 CSCC(N)=O SY040648 [2,0,0,0,0,0|2,0,0]=4 327 B5R0.1 CSCS(C)=O SY049552 [2,0,0,0,0,0|2,0,0]=4 328 B5R0.1 NC(=O)CCBr SY014886 [2,0,0,0,0,0|2,0,0]=4 329 B5R0.1 NCCC(N)=O SY024863 [2,0,0,0,0,0|2,0,0]=4 330 B5R0.1 NCCC(N)=O SY101590 [2,0,0,0,0,0|2,0,0]=4 331 B5R0.1 O=C(O)CCF SY008508 [2,0,0,0,0,0|2,0,0]=4 332 B5R0.1 O=C(O)CCO SY003982 [2,0,0,0,0,0|2,0,0]=4 333 B5R0.2 C=CCCCCl SY115227 [2,0,0,0,0,0|1,0,1]=4 334 B5R0.2 C=CCCCN SY039810 [2,0,0,0,0,0|1,0,1]=4 335 B5R0.2 CCC#CC=O SY301692 [2,0,0,0,0,0|0,0,2]=4 336 B5R0.2 CCCCNN SY048097 [2,0,0,0,0,0|2,0,0]=4 337 B5R0.2 CCCCON SY013356 [2,0,0,0,0,0|2,0,0]=4 338 B5R0.2 CCCCON SY019069 [2,0,0,0,0,0|2,0,0]=4 339 B5R0.2 CNCCSC SY020435 [2,0,0,0,0,0|2,0,0]=4 340 B5R0.2 ClCCCCI SY049669 [2,0,0,0,0,0|2,0,0]=4 341 B5R0.2 ICCCCI SY037746 [2,0,0,0,0,0|2,0,0]=4 342 B5R0.2 N#CCCC=O SY273827 [2,0,0,0,0,0|1,0,1]=4 343 B5R0.2 NCCCCBr SY113500 [2,0,0,0,0,0|2,0,0]=4 344 B5R0.2 NCCCCN SY004150 [2,0,0,0,0,0|2,0,0]=4 345 B5R0.2 NCCCCO SY001196 [2,0,0,0,0,0|1,0,1]=4 346 B7R0.2 CC(CCl)CC(=O)Cl SY027797 [1,1,0,0,0,0|2,0,0]=4 347 B7R0.2 CCC(C)CC(=O)Cl SY265619 [1,1,0,0,0,0|1,0,0]=3 348 B7R0.2 CCC(C)CC(C)N SY018617 [1,1,0,0,0,0|1,0,1]=4 349 B7R0.2 O=C([O-])CC(O)CO SY296011 [1,1,0,0,0,0|2,0,0]=4 350 B7R0.2 O=C([O-])C[C@H](O)CO SY293279 [1,1,0,0,0,0|2,0,0]=4 351 B7R0.3 C#CCCC(=O)OC SY057491 [1,1,0,0,0,0|0,0,2]=4 352 B7R0.3 CCC(=O)OCCO SY301488 [1,1,0,0,0,0|2,0,0]=4 353 B7R0.3 CCCCC(=O)NN SY078868 [1,1,0,0,0,0|1,0,0]=3 354 B7R0.3 CCCCC(O)CO SY049796 [1,1,0,0,0,0|0,0,2]=4 355 B7R0.3 CCCCN(C)CC SY311327 [1,1,0,0,0,0|2,0,0]=4 356 B7R0.3 CCCC[C@@H](N)CO SY038512 [1,1,0,0,0,0|1,0,1]=4 357 B7R0.3 CCCC[C@H](N)CO SY038520 [1,1,0,0,0,0|1,0,1]=4 358 B7R0.3 CNC(=O)CCCO SY126228 [1,1,0,0,0,0|1,0,0]=3 359 B7R0.3 CNCCC(=O)NC SY029107 [1,1,0,0,0,0|1,0,0]=3 360 B7R0.3 CNCCC(=O)OC SY019690 [1,1,0,0,0,0|1,0,0]=3 361 B7R0.3 COC(=O)CCC#N SY012328 [1,1,0,0,0,0|1,0,1]=4 362 B7R0.3 COC(=O)CCCBr SY011922 [1,1,0,0,0,0|1,0,0]=3 363 B7R0.3 COC(=O)CCCI SY110660 [1,1,0,0,0,0|1,0,0]=3 364 B7R0.3 COC(=O)CCCN SY058513 [1,1,0,0,0,0|1,0,0]=3 365 B7R0.3 COC(=O)CCCO SY268958 [1,1,0,0,0,0|1,0,0]=3 366 B7R0.5 CC(=O)C(C)CCBr SY247638 [1,1,0,0,0,0|1,0,0]=3 367 B7R0.5 CC(CCCl)C(=O)Cl SY027796 [1,1,0,0,0,0|2,0,0]=4 368 B7R0.5 CCCC(=O)C(N)=O SY251044 [1,1,0,0,0,0|1,0,1]=4 369 B7R0.5 CCCC(N)C(=O)O SY035722 [1,1,0,0,0,0|1,0,0]=3 370 B7R0.5 CCCC(O)C(N)=O SY251045 [1,1,0,0,0,0|1,0,0]=3 371 B7R0.5 CCCN(C)C(=O)Cl SY042518 [1,1,0,0,0,0|2,0,0]=4 372 B7R0.5 CCC[C@@H](N)C(=O)O SY019949 [1,1,0,0,0,0|1,0,0]=3 373 B7R0.5 CCC[C@H](N)C(=O)O SY001938 [1,1,0,0,0,0|1,0,0]=3 374 B7R0.5 CCOC(C)C(=O)O SY040144 [1,1,0,0,0,0|2,0,0]=4 375 B7R0.5 CNC[C@H](N)C(=O)O SY013432 [1,1,0,0,0,0|2,0,0]=4 376 B7R0.5 COCC(N)C(=O)O SY034134 [1,1,0,0,0,0|2,0,0]=4 377 B7R0.5 COC[C@@H](N)C(=O)O SY023999 [1,1,0,0,0,0|2,0,0]=4 378 B7R0.5 COC[C@H](N)C(=O)O SY114490 [1,1,0,0,0,0|2,0,0]=4 379 B7R0.5 NC(CCO)C(=O)O SY005812 [1,1,0,0,0,0|2,0,0]=4 380 B7R0.5 NCCC(N)C(=O)O SY005642 [1,1,0,0,0,0|2,0,0]=4 381 B7R0.5 NCC[C@@H](N)C(=O)O SY005641 [1,1,0,0,0,0|2,0,0]=4 382 B7R0.5 NCC[C@H](N)C(=O)O SY005640 [1,1,0,0,0,0|2,0,0]=4 383 B7R0.5 NCC[C@H](O)C(=O)O SY008713 [1,1,0,0,0,0|2,0,0]=4 384 B7R0.5 N[C@@H](CCO)C(=O)O SY005811 [1,1,0,0,0,0|2,0,0]=4 385 B7R0.5 N[C@@H](CCS)C(=O)O SY026382 [1,1,0,0,0,0|2,0,0]=4 386 B7R0.5 N[C@H](CCO)C(=O)O SY014844 [1,1,0,0,0,0|2,0,0]=4 387 B7R0.6 CC(=O)CCC(N)=O SY273013 [1,1,0,0,0,0|1,0,1]=4 388 B7R0.6 CC(=O)OCC(C)O SY272306 [1,1,0,0,0,0|1,0,0]=3 389 B7R0.6 CC(C)CCC(=O)O SY001693 [1,1,0,0,0,0|1,0,0]=3 390 B7R0.6 CC(C)CCC(C)Br SY016753 [1,1,0,0,0,0|1,0,1]=4 391 B7R0.6 CC(C)CC[N+](=O)[O-] SY224455 [1,1,0,0,0,0|2,0,0]=4 392 B7R0.6 CC(Cl)CCC(=O)Cl SY027798 [1,1,0,0,0,0|1,0,0]=3 393 B7R0.6 CC(O)CCC(=O)[O-] SY159293 [1,1,0,0,0,0|1,0,0]=3 394 B7R0.6 CN(C)CCC(=O)O SY031864 [1,1,0,0,0,0|2,0,0]=4 395 B7R0.6 C[C@@H](N)CCC(=O)O SY297613 [1,1,0,0,0,0|1,0,0]=3 396 B7R0.6 C[C@H](N)CCC(=O)O SY297612 [1,1,0,0,0,0|1,0,0]=3 397 B7R0.8 CCCCC(C)(C)O SY051607 [1,1,0,0,0,0|0,0,2]=4 398 B7R0.8 CCCCS(=O)(=O)[O-] SY017855 [1,1,0,0,0,0|2,0,0]=4 399 B7R0.8 CCCOS(C)(=O)=O SY053849 [1,1,0,0,0,0|2,0,0]=4 400 B7R0.8 CS(=O)(=O)CCCBr SY191290 [1,1,0,0,0,0|2,0,0]=4 401 B7R0.8 CS(=O)(=O)CCCN SY037728 [1,1,0,0,0,0|2,0,0]=4 402 B7R0.8 CS(=O)(=O)CCCO SY006812 [1,1,0,0,0,0|2,0,0]=4 403 B7R0.1 C#CCCCCCCl SY220544 [1,1,0,0,0,0|0,0,2]=4 404 B7R0.1 C#CCCCCCO SY021685 [1,1,0,0,0,0|0,0,2]=4 405 B7R0.1 C=CCCCCNC SY047447 [1,1,0,0,0,0|0,0,1]=3 406 B7R0.1 C=CCCCCON SY281584 [1,1,0,0,0,0|1,0,1]=4 407 B7R0.1 C=CCCCCON SY281585 [1,1,0,0,0,0|1,0,1]=4 408 B7R0.1 CCCCCCON SY281668 [1,1,0,0,0,0|0,0,2]=4 409 B7R0.1 CCCCCCON SY281669 [1,1,0,0,0,0|0,0,2]=4 410 B7R0.1 CNCCNCCO SY300938 [1,1,0,0,0,0|2,0,0]=4 411 B7R0.1 COCCOCCBr SY049757 [1,1,0,0,0,0|2,0,0]=4 412 B7R0.1 COCCOCCN SY042959 [1,1,0,0,0,0|2,0,0]=4 413 B7R0.1 COCOCCC=O SY027733 [1,1,0,0,0,0|1,0,0]=3 414 B7R0.1 ClCCCCCCBr SY049099 [1,1,0,0,0,0|1,0,1]=4 415 B7R0.1 ClCCCCCCI SY049747 [1,1,0,0,0,0|1,0,1]=4 416 B7R0.1 NCCCCCCO SY003099 [1,1,0,0,0,0|0,0,2]=4 417 B7R0.1 OCCCCCCBr SY017128 [1,1,0,0,0,0|0,0,2]=4 418 B7R0.1 OCCCCCCCl SY001629 [1,1,0,0,0,0|0,0,2]=4 419 B7R0.7 CCCC(Br)CCC SY016752 [1,1,0,0,0,0|0,0,1]=3 420 B7R0.7 CCCC(N)CCC SY024496 [1,1,0,0,0,0|0,0,1]=3 421 B7R0.7 CCC[C@H](N)CCO SY117417 [1,1,0,0,0,0|0,0,2]=4 422 B7R0.7 COCC(O)COC SY021402 [1,1,0,0,0,0|2,0,0]=4 423 B9R0.4 CC(=O)CC(=O)NCCO SY264230 [0,2,0,0,0,0|1,0,1]=4 424 B9R0.4 CCCCC(C)OC(=O)Cl SY250032 [0,2,0,0,0,0|1,0,0]=3 425 B9R0.4 CCCCC(N)CC(=O)O SY013375 [0,2,0,0,0,0|1,0,0]=3 426 B9R0.4 CCCC[C@H](C)CC(=O)O SY253397 [0,2,0,0,0,0|1,0,0]=3 427 B9R0.4 CSCC[C@@H](N)CC(=O)O SY254064 [0,2,0,0,0,0|1,0,0]=3 428 B9R0.6 CCOC(=O)C(C)C(C)=O SY005677 [0,2,0,0,0,0|1,0,1]=4 429 B9R0.6 CCOC(=O)C(F)C(C)=O SY010210 [0,2,0,0,0,0|1,0,1]=4 430 B9R0.14 CCCC(CC)OC(=O)Cl SY250031 [0,2,0,0,0,0|2,0,0]=4 431 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O SY074228 [0,2,0,0,0,0|1,0,0]=3 432 B9R0.34 CCCC(=O)CC(=O)OC SY017840 [0,2,0,0,0,0|0,0,1]=3 433 B9R0.34 CCOC(=O)CC(=O)CBr SY031005 [0,2,0,0,0,0|1,0,1]=4 434 B9R0.34 CCOC(=O)CC(=O)CC SY008856 [0,2,0,0,0,0|1,0,1]=4 435 B9R0.34 COCC(=O)CC(=O)OC SY009587 [0,2,0,0,0,0|1,0,1]=4 436 B9R0.53 CC(C)C[C@H](N)CC(=O)O SY065306 [0,2,0,0,0,0|1,0,0]=3 437 B9R0.53 CC(C)C[C@H](N)CC(=O)O SY254213 [0,2,0,0,0,0|1,0,0]=3 438 B9R0.1 COC(=O)CCCC(=O)O SY029949 [0,2,0,0,0,0|1,0,1]=4 439 B9R0.1 COC(=O)CCCC(C)=O SY113736 [0,2,0,0,0,0|0,0,1]=3 440 B9R0.1 COC(=O)CCC[N+](=O)[O-] SY103838 [0,2,0,0,0,0|2,0,0]=4 441 B9R0.5 CCOC(=O)CCCC#N SY025760 [0,2,0,0,0,0|1,0,1]=4 442 B9R0.5 CCOC(=O)CCCCBr SY002795 [0,2,0,0,0,0|1,0,0]=3 443 B9R0.5 CCOC(=O)COCCCl SY105048 [0,2,0,0,0,0|2,0,0]=4 444 B9R0.5 CCOC(=O)COCCI SY272402 [0,2,0,0,0,0|2,0,0]=4 445 B9R0.8 CCCCC(Br)C(=O)OC SY052225 [0,2,0,0,0,0|0,0,0]=2 446 B9R0.8 CNC(=O)C(Br)CCCBr SY045971 [0,2,0,0,0,0|1,0,0]=3 447 B9R0.8 COC(=O)[C@@H](N)CCCN SY066394 [0,2,0,0,0,0|1,0,0]=3 448 B9R0.8 COC(=O)[C@H](N)CCSC SY066424 [0,2,0,0,0,0|1,0,0]=3 449 B9R0.24 CCC(=O)CCC(=O)OC SY270772 [0,2,0,0,0,0|0,0,1]=3 450 B9R0.24 COC(=O)CCC(=O)CBr SY034031 [0,2,0,0,0,0|1,0,1]=4 451 B9R0.24 COC(=O)CCC(=O)CN SY023721 [0,2,0,0,0,0|1,0,1]=4 452 B9R0.46 C=CC(=O)OCCCCCl SY225442 [0,2,0,0,0,0|1,0,1]=4 453 B9R0.46 CCCCCCC(O)CO SY031445 [0,2,0,0,0,0|0,0,2]=4 454 B9R0.46 COC(=O)CCCCC=O SY042645 [0,2,0,0,0,0|0,0,1]=3 455 B9R0.46 COC(=O)CCCCCBr SY018348 [0,2,0,0,0,0|0,0,0]=2 456 B9R0.46 COC(=O)CCCCCN SY025881 [0,2,0,0,0,0|0,0,0]=2 457 B9R0.46 COC(=O)CCCCCO SY201227 [0,2,0,0,0,0|0,0,0]=2 458 B9R0.46 COC(=O)CCNCCO SY031365 [0,2,0,0,0,0|1,0,0]=3 459 B9R0.46 COC(=O)COCCCBr SY231297 [0,2,0,0,0,0|1,0,0]=3 460 B9R0.46 COCCCCC(=O)OC SY263824 [0,2,0,0,0,0|0,0,0]=2 461 B9R0.47 C=C(C)C(=O)NCCCN SY017925 [0,2,0,0,0,0|2,0,0]=4 462 B9R0.47 CCCCOC(=O)[C@H](C)N SY030056 [0,2,0,0,0,0|1,0,0]=3 463 B9R0.47 CCSCC[C@H](N)C(=O)O SY101955 [0,2,0,0,0,0|1,0,0]=3 464 B9R0.47 NCCCCC(N)C(=O)O SY006120 [0,2,0,0,0,0|1,0,0]=3 465 B9R0.47 NCCCC[C@@H](N)C(=O)O SY007003 [0,2,0,0,0,0|1,0,0]=3 466 B9R0.47 NCCCC[C@@H](N)C(=O)O SY279831 [0,2,0,0,0,0|1,0,0]=3 467 B9R0.47 NCCCC[C@H](N)C(=O)O SY006447 [0,2,0,0,0,0|1,0,0]=3 468 B9R0.47 NCCCC[C@H](N)C(=O)O SY018594 [0,2,0,0,0,0|1,0,0]=3 469 B9R0.47 NCCCC[C@H](N)C(=O)O SY030505 [0,2,0,0,0,0|1,0,0]=3 470 B9R0.47 NCCCC[C@H](N)C(=O)O SY036176 [0,2,0,0,0,0|1,0,0]=3 471 B9R0.50 CCCCCC(CO)CO SY129852 [0,2,0,0,0,0|0,0,2]=4 472 B9R0.2 C#CCCCCCC(=O)O SY028715 [0,2,0,0,0,0|1,0,0]=3 473 B9R0.2 C=CCCCCCC(=O)O SY240016 [0,2,0,0,0,0|1,0,0]=3 474 B9R0.2 C=CCCCCC[N+](=O)[O-] SY266537 [0,2,0,0,0,0|2,0,0]=4 475 B9R0.2 CC(=O)NCCCCCN SY262838 [0,2,0,0,0,0|0,0,0]=2 476 B9R0.2 CC(=O)OCCCCCBr SY048649 [0,2,0,0,0,0|0,0,0]=2 477 B9R0.2 CCCCCCCC(=O)[O-] SY014939 [0,2,0,0,0,0|1,0,0]=3 478 B9R0.2 CCCCCCC[N+](=O)[O-] SY266539 [0,2,0,0,0,0|2,0,0]=4 479 B9R0.2 CCC\C=C/CCC(=O)O SY273608 [0,2,0,0,0,0|1,0,0]=3 480 B9R0.2 CCC\C=C\CCC(=O)O SY285302 [0,2,0,0,0,0|1,0,0]=3 481 B9R0.2 COCCOCCC(=O)O SY036257 [0,2,0,0,0,0|1,0,0]=3 482 B9R0.2 NC(=O)CCCCCCO SY247978 [0,2,0,0,0,0|1,0,0]=3 483 B9R0.2 NCCCCCCC(=O)O SY034831 [0,2,0,0,0,0|1,0,0]=3 484 B9R0.2 NCCCCCCC(N)=O SY247975 [0,2,0,0,0,0|1,0,0]=3 485 B9R0.2 O=C(O)CCCCCCBr SY015073 [0,2,0,0,0,0|1,0,0]=3 486 B9R0.2 O=[N+]([O-])CCCCCCBr SY266565 [0,2,0,0,0,0|2,0,0]=4 487 B9R0.2 O=[N+]([O-])CCCCCCCl SY266517 [0,2,0,0,0,0|2,0,0]=4 488 B9R0.2 O=[N+]([O-])CCCCCCO SY266580 [0,2,0,0,0,0|2,0,0]=4 489 B9R0.38 CCCCCCC(C)(C)O SY289490 [0,2,0,0,0,0|0,0,2]=4 490 B9R0.38 CCCCCCS(=O)(=O)[O-] SY001279 [0,2,0,0,0,0|2,0,0]=4 491 B9R0.38 C[N+](C)(C)CCCCCBr SY110604 [0,2,0,0,0,0|2,0,0]=4 492 B9R0.48 CCCC(Cl)CCC(=O)Cl SY027789 [0,2,0,0,0,0|1,0,0]=3 493 B9R0.48 CCOC(=O)CCC(=O)O SY058510 [0,2,0,0,0,0|1,0,1]=4 494 B9R0.55 CC(=O)NCCCN(C)C SY028365 [0,2,0,0,0,0|1,0,0]=3 495 B9R0.55 CC(C)=CCCCC(=O)O SY253607 [0,2,0,0,0,0|1,0,1]=4 496 B9R0.55 CC(C)NCCCN(C)C SY270832 [0,2,0,0,0,0|2,0,0]=4 497 B9R0.55 CC(N)CCCCC(C)N SY270811 [0,2,0,0,0,0|1,0,1]=4 498 B9R0.55 CN(C)CCCCC(=O)O SY018643 [0,2,0,0,0,0|1,0,0]=3 499 B9R0.55 CN(C)CCCCC(=O)O SY019232 [0,2,0,0,0,0|1,0,0]=3 500 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O SY268968 [0,2,0,0,0,0|2,0,0]=4 501 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O SY268975 [0,2,0,0,0,0|2,0,0]=4 502 B9R0.13 CCCCC(OC)C(=O)O SY057659 [0,2,0,0,0,0|1,0,0]=3 503 B9R0.43 COC(CNC(C)=O)OC SY226343 [0,2,0,0,0,0|2,0,0]=4 504 B9R0.56 CC(=O)SCC[N+](C)(C)C SY022189 [0,2,0,0,0,0|2,0,0]=4 505 B9R0.56 O=C(O)CCCC(F)(F)F SY032186 [0,2,0,0,0,0|2,0,0]=4 506 B7R1.2 CC1CCC(=O)C1 SY003033 [1,0,0,1,0,0|0,0,0]=2 507 B7R1.2 CC1CCC(=O)O1 SY011304 [1,0,0,1,0,0|1,0,0]=3 508 B7R1.2 CC1CCC(C)N1 SY140252 [1,0,0,1,0,0|1,0,1]=4 509 B7R1.2 CC1CCC(N)C1 SY156765 [1,0,0,1,0,0|1,0,1]=4 510 B7R1.2 CC1CNC(=O)C1 SY065050 [1,0,0,1,0,0|1,0,0]=3 511 B7R1.2 CC1COC(=O)N1 SY037847 [1,0,0,1,0,0|2,0,0]=4 512 B7R1.2 C[C@@H]1COC(=O)N1 SY037848 [1,0,0,1,0,0|2,0,0]=4 513 B7R1.2 C[C@@H]1COC(=O)O1 SY008770 [1,0,0,1,0,0|2,0,0]=4 514 B7R1.2 C[C@H]1COC(=O)N1 SY037849 [1,0,0,1,0,0|2,0,0]=4 515 B7R1.2 C[C@H]1COC(=O)O1 SY066861 [1,0,0,1,0,0|2,0,0]=4 516 B7R1.2 N[C@@H]1COC(=O)C1 SY033765 [1,0,0,1,0,0|2,0,0]=4 517 B7R1.2 N[C@H]1COC(=O)C1 SY033771 [1,0,0,1,0,0|2,0,0]=4 518 B7R1.2 O=C1CC(O)CN1 SY031844 [1,0,0,1,0,0|2,0,0]=4 519 B7R1.2 O=C1CCC(=O)C1 SY003377 [1,0,0,1,0,0|1,0,1]=4 520 B7R1.2 O=C1CCC(O)C1 SY040217 [1,0,0,1,0,0|1,0,0]=3 521 B7R1.2 O=C1C[C@@H](O)CN1 SY030867 [1,0,0,1,0,0|2,0,0]=4 522 B7R1.2 O=C1C[C@@H](O)CO1 SY109477 [1,0,0,1,0,0|2,0,0]=4 523 B7R1.2 O=C1C[C@H](O)CN1 SY025368 [1,0,0,1,0,0|2,0,0]=4 524 B7R1.2 O=C1C[C@H](O)CO1 SY002401 [1,0,0,1,0,0|2,0,0]=4 525 B7R1.3 BrC1=CCCCC1 SY253165 [1,0,0,1,0,0|1,0,1]=4 526 B7R1.3 C=C1CCNCC1 SY022740 [1,0,0,1,0,0|2,0,0]=4 527 B7R1.3 O=C1CCCCN1 SY011119 [1,0,0,1,0,0|1,0,0]=3 528 B7R1.3 O=C1CCCCO1 SY018264 [1,0,0,1,0,0|1,0,0]=3 529 B7R1.3 O=C1CCCCS1 SY222230 [1,0,0,1,0,0|1,0,0]=3 530 B7R1.3 O=C1CCCNC1 SY025656 [1,0,0,1,0,0|1,0,0]=3 531 B7R1.3 O=C1CCCOC1 SY003102 [1,0,0,1,0,0|1,0,0]=3 532 B7R1.3 O=C1CCNCC1 SY002027 [1,0,0,1,0,0|1,0,0]=3 533 B7R1.3 O=C1CCNCC1 SY107185 [1,0,0,1,0,0|1,0,0]=3 534 B7R1.3 O=C1CCSCC1 SY007101 [1,0,0,1,0,0|1,0,0]=3 535 B7R1.3 O=C1CNCCN1 SY002559 [1,0,0,1,0,0|2,0,0]=4 536 B7R1.3 O=C1CNCCO1 SY047308 [1,0,0,1,0,0|2,0,0]=4 537 B7R1.3 O=C1COCCN1 SY003974 [1,0,0,1,0,0|2,0,0]=4 538 B7R1.3 O=C1COCCO1 SY055447 [1,0,0,1,0,0|2,0,0]=4 539 B7R1.3 O=C1CSCCN1 SY082963 [1,0,0,1,0,0|2,0,0]=4 540 B7R1.3 O=C1NCCCO1 SY005699 [1,0,0,1,0,0|2,0,0]=4 541 B7R1.7 CCCCC1CO1 SY049832 [1,0,0,1,0,0|0,0,2]=4 542 B7R1.10 CCC1CC(=O)C1 SY200344 [1,0,0,1,0,0|0,0,0]=2 543 B7R1.10 COC1CC(=O)C1 SY098914 [1,0,0,1,0,0|1,0,0]=3 544 B7R1.10 N#CC1CC(=O)C1 SY024404 [1,0,0,1,0,0|1,0,1]=4 545 B7R1.10 O=C1CC(CBr)O1 SY250803 [1,0,0,1,0,0|2,0,0]=4 546 B7R1.10 O=C1C[C@@H](CO)N1 SY278869 [1,0,0,1,0,0|2,0,0]=4 547 B7R1.12 O=C(O)C1CC1F SY073271 [1,0,0,1,0,0|2,0,0]=4 548 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SY069957 [1,0,0,1,0,0|2,0,0]=4 549 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SY071317 [1,0,0,1,0,0|2,0,0]=4 550 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I SY263918 [1,0,0,1,0,0|2,0,0]=4 551 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SY071548 [1,0,0,1,0,0|2,0,0]=4 552 B7R1.12 O=C(O)[C@H]1C[C@H]1F SY071316 [1,0,0,1,0,0|2,0,0]=4 553 B7R1.12 O=C(O)[C@H]1C[C@H]1I SY245634 [1,0,0,1,0,0|2,0,0]=4 554 B7R1.14 O=P1(Cl)CCCC1 SY266748 [1,0,0,1,0,0|2,0,0]=4 555 B7R1.18 CC(N)C1CCC1 SY144911 [1,0,0,1,0,0|1,0,1]=4 556 B7R1.18 N=C(N)C1CCC1 SY016171 [1,0,0,1,0,0|2,0,0]=4 557 B7R1.18 NC(=O)C1CCC1 SY026669 [1,0,0,1,0,0|1,0,0]=3 558 B7R1.18 NC(=S)C1CCC1 SY139742 [1,0,0,1,0,0|1,1,0]=4 559 B7R1.18 O=C(Cl)N1CCC1 SY268945 [1,0,0,1,0,0|2,0,0]=4 560 B7R1.18 O=C(O)C1CCN1 SY013679 [1,0,0,1,0,0|2,0,0]=4 561 B7R1.18 O=C(O)C1CCO1 SY033341 [1,0,0,1,0,0|2,0,0]=4 562 B7R1.18 O=C(O)C1CNC1 SY002050 [1,0,0,1,0,0|2,0,0]=4 563 B7R1.18 O=C(O)C1COC1 SY008837 [1,0,0,1,0,0|2,0,0]=4 564 B7R1.18 O=C(O)[C@@H]1CCN1 SY004809 [1,0,0,1,0,0|2,0,0]=4 565 B7R1.18 O=C(O)[C@@H]1CCO1 SY269134 [1,0,0,1,0,0|2,0,0]=4 566 B7R1.18 O=C(O)[C@H]1CCN1 SY077312 [1,0,0,1,0,0|2,0,0]=4 567 B7R1.18 O=[N+]([O-])C1CCC1 SY013426 [1,0,0,1,0,0|2,0,0]=4 568 B7R1.20 O=C(Cl)CC1CC1 SY237128 [1,0,0,1,0,0|1,0,0]=3 569 B7R1.20 O=C(Cl)OC1CC1 SY248051 [1,0,0,1,0,0|2,0,0]=4 570 B7R1.1 BrCC1CCOC1 SY042030 [1,0,0,1,0,0|2,0,0]=4 571 B7R1.1 C#CC1CCCC1 SY047862 [1,0,0,1,0,0|0,0,2]=4 572 B7R1.1 CC[C@@H]1CCCN1 SY103107 [1,0,0,1,0,0|1,0,1]=4 573 B7R1.1 CNC1CCOC1 SY048009 [1,0,0,1,0,0|2,0,0]=4 574 B7R1.1 CN[C@@H]1CCOC1 SY268189 [1,0,0,1,0,0|2,0,0]=4 575 B7R1.1 COC1CCNC1 SY043121 [1,0,0,1,0,0|2,0,0]=4 576 B7R1.1 COC1CCNC1 SY097408 [1,0,0,1,0,0|2,0,0]=4 577 B7R1.1 CO[C@@H]1CCNC1 SY042148 [1,0,0,1,0,0|2,0,0]=4 578 B7R1.1 CO[C@@H]1CCNC1 SY056981 [1,0,0,1,0,0|2,0,0]=4 579 B7R1.1 CO[C@H]1CCNC1 SY042488 [1,0,0,1,0,0|2,0,0]=4 580 B7R1.1 FCC1CCNC1 SY265543 [1,0,0,1,0,0|2,0,0]=4 581 B7R1.1 NCC1CCCC1 SY013219 [1,0,0,1,0,0|1,0,1]=4 582 B7R1.1 NCC1CCCC1 SY025882 [1,0,0,1,0,0|1,0,1]=4 583 B7R1.1 NCC1CCOC1 SY042027 [1,0,0,1,0,0|2,0,0]=4 584 B7R1.1 O=CC1CCCC1 SY004589 [1,0,0,1,0,0|0,0,0]=2 585 B7R1.1 O=CC1CCCO1 SY024520 [1,0,0,1,0,0|1,0,0]=3 586 B7R1.1 O=CC1CCOC1 SY046752 [1,0,0,1,0,0|1,0,0]=3 587 B7R1.1 O=CN1CCCC1 SY252984 [1,0,0,1,0,0|1,0,0]=3 588 B7R1.1 O=NN1CCCC1 SY115826 [1,0,0,1,0,0|2,0,0]=4 589 B7R1.1 OCC1CC=CC1 SY019811 [1,0,0,1,0,0|1,0,1]=4 590 B7R1.1 OCC1CCCC1 SY006011 [1,0,0,1,0,0|0,0,2]=4 591 B7R1.1 OCC1CCNC1 SY018506 [1,0,0,1,0,0|2,0,0]=4 592 B7R1.1 OCC1CCNC1 SY021497 [1,0,0,1,0,0|2,0,0]=4 593 B7R1.1 OCC1CCOC1 SY030918 [1,0,0,1,0,0|2,0,0]=4 594 B7R1.1 OC[C@@H]1CCNC1 SY008238 [1,0,0,1,0,0|2,0,0]=4 595 B7R1.1 OC[C@H]1CCNC1 SY008227 [1,0,0,1,0,0|2,0,0]=4 596 B7R1.4 CC1CCCC1=O SY045483 [1,0,0,1,0,0|0,0,0]=2 597 B7R1.4 CC1CCOC1=O SY051660 [1,0,0,1,0,0|1,0,0]=3 598 B7R1.4 CC1OCCC1=O SY001818 [1,0,0,1,0,0|1,0,0]=3 599 B7R1.4 CC1SCCC1=O SY003998 [1,0,0,1,0,0|1,0,0]=3 600 B7R1.4 C[C@H]1CCC[C@H]1N SY254157 [1,0,0,1,0,0|1,0,1]=4 601 B7R1.4 NC1CCOC1=O SY111957 [1,0,0,1,0,0|2,0,0]=4 602 B7R1.4 NC1CCSC1=O SY038927 [1,0,0,1,0,0|2,0,0]=4 603 B7R1.4 NN1CCCC1=O SY105332 [1,0,0,1,0,0|2,0,0]=4 604 B7R1.4 N[C@@H]1CCNC1=O SY034730 [1,0,0,1,0,0|2,0,0]=4 605 B7R1.4 N[C@@H]1CCOC1=O SY017502 [1,0,0,1,0,0|2,0,0]=4 606 B7R1.4 N[C@H]1CCNC1=O SY022467 [1,0,0,1,0,0|2,0,0]=4 607 B7R1.4 N[C@H]1CCOC1=O SY027501 [1,0,0,1,0,0|2,0,0]=4 608 B7R1.4 N[C@H]1CCOC1=O SY030497 [1,0,0,1,0,0|2,0,0]=4 609 B7R1.4 O=C1CCCC1=O SY057516 [1,0,0,1,0,0|1,0,1]=4 610 B7R1.4 O=C1CCCC1F SY200677 [1,0,0,1,0,0|1,0,0]=3 611 B7R1.4 O=C1NCCC1Br SY067750 [1,0,0,1,0,0|2,0,0]=4 612 B7R1.4 O=C1NCCC1O SY017439 [1,0,0,1,0,0|2,0,0]=4 613 B7R1.4 O=C1NCC[C@@H]1O SY020466 [1,0,0,1,0,0|2,0,0]=4 614 B7R1.4 O=C1OCCC1Br SY001762 [1,0,0,1,0,0|2,0,0]=4 615 B7R1.4 O=C1OCCC1O SY052569 [1,0,0,1,0,0|2,0,0]=4 616 B7R1.4 O=C1OCC[C@@H]1O SY027538 [1,0,0,1,0,0|2,0,0]=4 617 B7R1.6 CCOC1CNC1 SY198400 [1,0,0,1,0,0|2,0,0]=4 618 B7R1.6 CNCC1COC1 SY113244 [1,0,0,1,0,0|2,0,0]=4 619 B7R1.6 COCC1CCN1 SY122024 [1,0,0,1,0,0|2,0,0]=4 620 B7R1.6 COCC1CNC1 SY060329 [1,0,0,1,0,0|2,0,0]=4 621 B7R1.6 ICCC1COC1 SY249454 [1,0,0,1,0,0|2,0,0]=4 622 B7R1.6 NCCC1CNC1 SY263737 [1,0,0,1,0,0|2,0,0]=4 623 B7R1.6 NOCC1CCC1 SY216380 [1,0,0,1,0,0|2,0,0]=4 624 B7R1.6 NOCC1CCC1 SY281574 [1,0,0,1,0,0|2,0,0]=4 625 B7R1.6 O=CCC1CCC1 SY025254 [1,0,0,1,0,0|0,0,0]=2 626 B7R1.6 OCCC1COC1 SY097532 [1,0,0,1,0,0|2,0,0]=4 627 B7R1.8 CN1CC[C@H]1CN SY284568 [1,0,0,1,0,0|2,0,0]=4 628 B7R1.9 COC1CC1C=O SY277013 [1,0,0,1,0,0|1,0,0]=3 629 B7R1.24 C1CNCCOC1 SY002594 [1,0,0,1,0,0|2,0,0]=4 630 B7R1.24 C1CNCCOC1 SY023485 [1,0,0,1,0,0|2,0,0]=4 631 B9R1.7 CCC[C@H]1COC(=O)C1 SY039698 [0,1,0,1,0,0|0,0,0]=2 632 B9R1.7 CCNC1CCN(C)C1 SY023939 [0,1,0,1,0,0|2,0,0]=4 633 B9R1.7 CN1CCC(CCN)C1 SY021028 [0,1,0,1,0,0|2,0,0]=4 634 B9R1.7 NCCC1CCC(F)C1 SY233125 [0,1,0,1,0,0|1,0,1]=4 635 B9R1.7 NCCC1CCC(F)C1 SY237132 [0,1,0,1,0,0|1,0,1]=4 636 B9R1.13 CN(C)CC1CCNC1 SY265551 [0,1,0,1,0,0|2,0,0]=4 637 B9R1.13 O=C(O)CC1CCNC1 SY096981 [0,1,0,1,0,0|1,0,0]=3 638 B9R1.13 O=C(O)CC1CCOC1 SY039684 [0,1,0,1,0,0|1,0,0]=3 639 B9R1.13 O=C(O)CN1CCCC1 SY025097 [0,1,0,1,0,0|1,0,0]=3 640 B9R1.13 O=C(O)C[C@@H]1CCCN1 SY107247 [0,1,0,1,0,0|1,0,0]=3 641 B9R1.13 O=C(O)C[C@H]1CCCN1 SY056877 [0,1,0,1,0,0|1,0,0]=3 642 B9R1.13 O=C(O)C[C@H]1CCCN1 SY245644 [0,1,0,1,0,0|1,0,0]=3 643 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 SY099138 [0,1,0,1,0,0|2,0,0]=4 644 B9R1.34 CC1=CC(C)CC(=O)C1 SY247473 [0,1,0,1,0,0|0,0,2]=4 645 B9R1.34 CC1CC(=O)CC(=O)C1 SY027841 [0,1,0,1,0,0|0,0,1]=3 646 B9R1.34 CC1CC(=O)OC(=O)C1 SY049353 [0,1,0,1,0,0|1,0,1]=4 647 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 SY121992 [0,1,0,1,0,0|1,0,0]=3 648 B9R1.41 CC(=O)C1CCOC1=O SY001848 [0,1,0,1,0,0|1,0,1]=4 649 B9R1.41 CN(C)[C@@H]1CCC[C@H]1O SY272560 [0,1,0,1,0,0|2,0,0]=4 650 B9R1.41 CN1CCC[C@@H]1C(=O)O SY004606 [0,1,0,1,0,0|1,0,0]=3 651 B9R1.41 CN1CCC[C@@H]1C(=O)O SY012525 [0,1,0,1,0,0|1,0,0]=3 652 B9R1.41 CN1CCC[C@H]1C(=O)O SY004607 [0,1,0,1,0,0|1,0,0]=3 653 B9R1.41 CN1CCC[C@H]1C(=O)O SY004777 [0,1,0,1,0,0|1,0,0]=3 654 B9R1.41 C[C@@H](O)[C@@H]1CCCN1C SY300195 [0,1,0,1,0,0|0,0,2]=4 655 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O SY024590 [0,1,0,1,0,0|1,0,0]=3 656 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O SY024589 [0,1,0,1,0,0|1,0,0]=3 657 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O SY007714 [0,1,0,1,0,0|2,0,0]=4 658 B9R1.48 O=C1CCCCC(=O)C1 SY011060 [0,1,0,1,0,0|0,0,1]=3 659 B9R1.48 O=C1CCCCC(=O)O1 SY033154 [0,1,0,1,0,0|1,0,1]=4 660 B9R1.48 O=C1CCCNC(=O)C1 SY028878 [0,1,0,1,0,0|1,0,1]=4 661 B9R1.53 CC(=O)OC1CC(=O)C1 SY025795 [0,1,0,1,0,0|1,0,1]=4 662 B9R1.66 CC1(C)CC(=O)CCN1 SY030979 [0,1,0,1,0,0|1,0,0]=3 663 B9R1.66 CC1(C)CC(=O)CCO1 SY006372 [0,1,0,1,0,0|1,0,0]=3 664 B9R1.66 CC1(C)CCCC(N)C1 SY143191 [0,1,0,1,0,0|1,0,1]=4 665 B9R1.66 CC1(C)CCCC(N)C1 SY310009 [0,1,0,1,0,0|1,0,1]=4 666 B9R1.66 CC1(C)COCC(=O)N1 SY045284 [0,1,0,1,0,0|2,0,0]=4 667 B9R1.66 CC1(O)CCOC(=O)C1 SY032939 [0,1,0,1,0,0|1,0,0]=3 668 B9R1.137 NC(CC(=O)O)C1CC1 SY015526 [0,1,0,1,0,0|1,0,0]=3 669 B9R1.137 O=[N+]([O-])CC(O)C1CC1 SY037020 [0,1,0,1,0,0|2,0,0]=4 670 B9R1.1 C#CC1CCC(=O)CC1 SY285261 [0,1,0,1,0,0|0,0,2]=4 671 B9R1.1 CCN1CCC(=O)CC1 SY001787 [0,1,0,1,0,0|1,0,0]=3 672 B9R1.1 COC1CCC(=O)CC1 SY022709 [0,1,0,1,0,0|1,0,0]=3 673 B9R1.1 N#CC1CCC(=O)CC1 SY008433 [0,1,0,1,0,0|1,0,1]=4 674 B9R1.1 O=C1CCC(CO)CN1 SY111877 [0,1,0,1,0,0|1,0,0]=3 675 B9R1.2 CCC1CC(=O)CCN1 SY278089 [0,1,0,1,0,0|0,0,0]=2 676 B9R1.2 CCC1CCCC(O)C1 SY033582 [0,1,0,1,0,0|0,0,2]=4 677 B9R1.2 CCC1CCNC(=O)C1 SY163712 [0,1,0,1,0,0|0,0,0]=2 678 B9R1.2 CN1CCCC(CO)C1 SY004691 [0,1,0,1,0,0|2,0,0]=4 679 B9R1.2 NCC1CCCC(O)C1 SY019314 [0,1,0,1,0,0|0,0,2]=4 680 B9R1.2 O=C1CC(CBr)CCN1 SY263150 [0,1,0,1,0,0|1,0,0]=3 681 B9R1.2 O=C1CC(CO)CCN1 SY042203 [0,1,0,1,0,0|1,0,0]=3 682 B9R1.3 CC1C(=O)CCCC1=O SY036390 [0,1,0,1,0,0|1,0,1]=4 683 B9R1.3 CN1CCCC(Br)C1=O SY030813 [0,1,0,1,0,0|2,0,0]=4 684 B9R1.3 CN1CCCN(C)C1=O SY002520 [0,1,0,1,0,0|2,0,0]=4 685 B9R1.5 CN1CCNCCC1=O SY040462 [0,1,0,1,0,0|1,0,0]=3 686 B9R1.5 CN1CCNCCC1=O SY066105 [0,1,0,1,0,0|1,0,0]=3 687 B9R1.5 C[C@@H]1NCCCNC1=O SY271664 [0,1,0,1,0,0|2,0,0]=4 688 B9R1.5 C[C@H]1NCCCNC1=O SY267163 [0,1,0,1,0,0|2,0,0]=4 689 B9R1.5 NC1CCCCNC1=O SY005802 [0,1,0,1,0,0|1,0,0]=3 690 B9R1.5 N[C@@H]1CCCCNC1=O SY005803 [0,1,0,1,0,0|1,0,0]=3 691 B9R1.5 N[C@@H]1CCCCNC1=O SY030978 [0,1,0,1,0,0|1,0,0]=3 692 B9R1.5 O=C1CCCCCC1=O SY274002 [0,1,0,1,0,0|0,0,1]=3 693 B9R1.11 COC(=O)C1=CCCC1 SY017441 [0,1,0,1,0,0|0,0,2]=4 694 B9R1.11 COC(=O)C1CCCC1 SY049570 [0,1,0,1,0,0|0,0,0]=2 695 B9R1.11 COC(=O)C1CCCN1 SY033211 [0,1,0,1,0,0|1,0,0]=3 696 B9R1.11 COC(=O)C1CCNC1 SY008084 [0,1,0,1,0,0|1,0,0]=3 697 B9R1.11 COC(=O)C1CCOC1 SY042132 [0,1,0,1,0,0|1,0,0]=3 698 B9R1.11 COC(=O)[C@@H]1CCCN1 SY005778 [0,1,0,1,0,0|1,0,0]=3 699 B9R1.11 COC(=O)[C@@H]1CCNC1 SY097075 [0,1,0,1,0,0|1,0,0]=3 700 B9R1.11 COC(=O)[C@@H]1CCNC1 SY122122 [0,1,0,1,0,0|1,0,0]=3 701 B9R1.11 COC(=O)[C@H]1CCCN1 SY018101 [0,1,0,1,0,0|1,0,0]=3 702 B9R1.11 COC(=O)[C@H]1CCNC1 SY105039 [0,1,0,1,0,0|1,0,0]=3 703 B9R1.11 O=C(CCl)N1CCCC1 SY008143 [0,1,0,1,0,0|1,0,0]=3 704 B9R1.49 CN1CCCC(=O)CC1 SY002715 [0,1,0,1,0,0|1,0,0]=3 705 B9R1.49 CN1CCNC(=O)CC1 SY022083 [0,1,0,1,0,0|2,0,0]=4 706 B9R1.49 N[C@@H]1CCC[C@H](O)CC1 SY280408 [0,1,0,1,0,0|0,0,2]=4 707 B9R1.50 O=C1CCCCCCN1 SY012301 [0,1,0,1,0,0|0,0,0]=2 708 B9R1.79 COC(=O)CC1COC1 SY097597 [0,1,0,1,0,0|1,0,0]=3 709 B9R1.80 COC(=O)C#CC1CC1 SY214173 [0,1,0,1,0,0|0,0,2]=4 710 B9R1.118 NC1(CO)CCCCC1 SY295098 [0,1,0,1,0,0|1,0,1]=4 711 B9R1.118 O=NC1(Cl)CCCCC1 SY092821 [0,1,0,1,0,0|1,0,1]=4 712 B9R1.132 CCC1=C(O)C(=O)CC1 SY053179 [0,1,0,1,0,0|0,0,2]=4 713 B9R1.132 CN1CCC(CO)C1=O SY023947 [0,1,0,1,0,0|2,0,0]=4 714 B9R1.6 CC(=O)C1CCCCC1 SY013522 [0,1,0,1,0,0|0,0,0]=2 715 B9R1.6 CC(=O)C1CCNCC1 SY022101 [0,1,0,1,0,0|0,0,0]=2 716 B9R1.6 CC(=O)C1CCOCC1 SY023117 [0,1,0,1,0,0|0,0,0]=2 717 B9R1.6 CC(=O)N1CCCCC1 SY106654 [0,1,0,1,0,0|0,0,0]=2 718 B9R1.6 CC(=O)N1CCCNC1 SY263178 [0,1,0,1,0,0|1,0,0]=3 719 B9R1.6 CC(=O)N1CCNCC1 SY003405 [0,1,0,1,0,0|1,0,0]=3 720 B9R1.6 CC(=O)N1CCOCC1 SY040633 [0,1,0,1,0,0|1,0,0]=3 721 B9R1.6 CC(O)C1CCCCC1 SY101045 [0,1,0,1,0,0|0,0,2]=4 722 B9R1.6 CC(O)C1CCNCC1 SY033362 [0,1,0,1,0,0|0,0,2]=4 723 B9R1.6 CN(C)C1CCCNC1 SY023938 [0,1,0,1,0,0|2,0,0]=4 724 B9R1.6 CN(C)C1CCNCC1 SY002772 [0,1,0,1,0,0|2,0,0]=4 725 B9R1.6 CN(C)C1CCNCC1 SY020144 [0,1,0,1,0,0|2,0,0]=4 726 B9R1.6 CN(C)[C@H]1CCCNC1 SY270375 [0,1,0,1,0,0|2,0,0]=4 727 B9R1.6 N=C(N)C1CCOCC1 SY011687 [0,1,0,1,0,0|2,0,0]=4 728 B9R1.6 NC(=O)C1CCCCN1 SY036410 [0,1,0,1,0,0|1,0,0]=3 729 B9R1.6 NC(=O)C1CCCNC1 SY003156 [0,1,0,1,0,0|1,0,0]=3 730 B9R1.6 NC(=O)C1CCNCC1 SY005311 [0,1,0,1,0,0|1,0,0]=3 731 B9R1.6 NC(=O)C1CCOCC1 SY023532 [0,1,0,1,0,0|1,0,0]=3 732 B9R1.6 O=C(Cl)C1CCNCC1 SY283305 [0,1,0,1,0,0|1,0,0]=3 733 B9R1.6 O=C(Cl)C1CCOCC1 SY017904 [0,1,0,1,0,0|1,0,0]=3 734 B9R1.6 O=C(Cl)N1CCCCC1 SY046056 [0,1,0,1,0,0|1,0,0]=3 735 B9R1.6 O=C(O)C1=CCCCC1 SY027515 [0,1,0,1,0,0|1,0,1]=4 736 B9R1.6 O=C(O)C1CCCCN1 SY002975 [0,1,0,1,0,0|1,0,0]=3 737 B9R1.6 O=C(O)C1CCCCO1 SY003244 [0,1,0,1,0,0|1,0,0]=3 738 B9R1.6 O=C(O)C1CCCNC1 SY001864 [0,1,0,1,0,0|1,0,0]=3 739 B9R1.6 O=C(O)C1CCCOC1 SY020666 [0,1,0,1,0,0|1,0,0]=3 740 B9R1.6 O=C(O)C1CCNCC1 SY001425 [0,1,0,1,0,0|1,0,0]=3 741 B9R1.6 O=C(O)C1CCOCC1 SY003734 [0,1,0,1,0,0|1,0,0]=3 742 B9R1.6 O=C(O)C1CCSCC1 SY019842 [0,1,0,1,0,0|1,0,0]=3 743 B9R1.6 O=C(O)C1CNCCN1 SY002071 [0,1,0,1,0,0|2,0,0]=4 744 B9R1.6 O=C(O)C1CNCCN1 SY017866 [0,1,0,1,0,0|2,0,0]=4 745 B9R1.6 O=C(O)C1CNCCO1 SY004906 [0,1,0,1,0,0|2,0,0]=4 746 B9R1.6 O=C(O)C1CNCCO1 SY006475 [0,1,0,1,0,0|2,0,0]=4 747 B9R1.6 O=C(O)C1COCCN1 SY004043 [0,1,0,1,0,0|2,0,0]=4 748 B9R1.6 O=C(O)C1COCCN1 SY004044 [0,1,0,1,0,0|2,0,0]=4 749 B9R1.6 O=C(O)[C@@H]1CC=CCC1 SY097786 [0,1,0,1,0,0|1,0,1]=4 750 B9R1.6 O=C(O)[C@@H]1CCCCN1 SY003076 [0,1,0,1,0,0|1,0,0]=3 751 B9R1.6 O=C(O)[C@@H]1CCCCO1 SY100445 [0,1,0,1,0,0|1,0,0]=3 752 B9R1.6 O=C(O)[C@@H]1CCCNC1 SY102436 [0,1,0,1,0,0|1,0,0]=3 753 B9R1.6 O=C(O)[C@@H]1CNCCN1 SY004769 [0,1,0,1,0,0|2,0,0]=4 754 B9R1.6 O=C(O)[C@@H]1CNCCO1 SY115265 [0,1,0,1,0,0|2,0,0]=4 755 B9R1.6 O=C(O)[C@@H]1COCCN1 SY003807 [0,1,0,1,0,0|2,0,0]=4 756 B9R1.6 O=C(O)[C@@H]1COCCN1 SY030470 [0,1,0,1,0,0|2,0,0]=4 757 B9R1.6 O=C(O)[C@H]1CC=CCC1 SY098140 [0,1,0,1,0,0|1,0,1]=4 758 B9R1.6 O=C(O)[C@H]1CCCCN1 SY003075 [0,1,0,1,0,0|1,0,0]=3 759 B9R1.6 O=C(O)[C@H]1CCCNC1 SY018213 [0,1,0,1,0,0|1,0,0]=3 760 B9R1.6 O=C(O)[C@H]1CCCNC1 SY057637 [0,1,0,1,0,0|1,0,0]=3 761 B9R1.6 O=C(O)[C@H]1CNCCN1 SY004767 [0,1,0,1,0,0|2,0,0]=4 762 B9R1.6 O=C(O)[C@H]1COCCN1 SY005109 [0,1,0,1,0,0|2,0,0]=4 763 B9R1.6 O=C([O-])C1CCCCN1 SY267299 [0,1,0,1,0,0|1,0,0]=3 764 B9R1.84 O=C(O)CCC1CCC1 SY132058 [0,1,0,1,0,0|1,0,0]=3 765 B9R1.85 O=C(O)CCNC1CC1 SY034664 [0,1,0,1,0,0|1,0,0]=3 766 B9R1.23 CN1CC(CCl)CC1=O SY246993 [0,1,0,1,0,0|2,0,0]=4 767 B9R1.23 CN1CC(CN)CC1=O SY097444 [0,1,0,1,0,0|2,0,0]=4 768 B9R1.23 CN1CC(CO)CC1=O SY097443 [0,1,0,1,0,0|2,0,0]=4 769 B9R1.35 CC(=O)N1CCC(N)C1 SY005627 [0,1,0,1,0,0|1,0,0]=3 770 B9R1.35 CC(=O)N1CCC(O)C1 SY012351 [0,1,0,1,0,0|1,0,0]=3 771 B9R1.35 CC(=O)N1CC[C@@H](O)C1 SY005003 [0,1,0,1,0,0|1,0,0]=3 772 B9R1.35 CC(=O)N1CC[C@H](O)C1 SY005004 [0,1,0,1,0,0|1,0,0]=3 773 B9R1.35 CC(C)[C@@H]1COC(=O)N1 SY021565 [0,1,0,1,0,0|2,0,0]=4 774 B9R1.35 CC(C)[C@H]1COC(=O)N1 SY007944 [0,1,0,1,0,0|2,0,0]=4 775 B9R1.35 CN1CCC(C(=O)O)C1 SY019266 [0,1,0,1,0,0|2,0,0]=4 776 B9R1.35 CN1CCC(C(=O)O)C1 SY020059 [0,1,0,1,0,0|2,0,0]=4 777 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 SY258090 [0,1,0,1,0,0|2,0,0]=4 778 B9R1.35 NC(=O)[C@@H]1C[C@@H](O)CN1 SY026002 [0,1,0,1,0,0|2,0,0]=4 779 B9R1.35 NC1CCC(C(=O)O)C1 SY006149 [0,1,0,1,0,0|1,0,0]=3 780 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SY025607 [0,1,0,1,0,0|1,0,0]=3 781 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SY029549 [0,1,0,1,0,0|1,0,0]=3 782 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SY016353 [0,1,0,1,0,0|1,0,0]=3 783 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 SY098915 [0,1,0,1,0,0|2,0,0]=4 784 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 SY003829 [0,1,0,1,0,0|2,0,0]=4 785 B9R1.35 O=C(O)[C@@H]1C[C@H](Br)CN1 SY293378 [0,1,0,1,0,0|2,0,0]=4 786 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 SY018168 [0,1,0,1,0,0|2,0,0]=4 787 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 SY098988 [0,1,0,1,0,0|2,0,0]=4 788 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 SY009611 [0,1,0,1,0,0|2,0,0]=4 789 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 SY017668 [0,1,0,1,0,0|2,0,0]=4 790 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SY003831 [0,1,0,1,0,0|2,0,0]=4 791 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SY009616 [0,1,0,1,0,0|2,0,0]=4 792 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SY008137 [0,1,0,1,0,0|2,0,0]=4 793 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SY009610 [0,1,0,1,0,0|2,0,0]=4 794 B9R1.35 O=C1CCC(C(=O)O)C1 SY007001 [0,1,0,1,0,0|1,0,1]=4 795 B9R1.35 O=C1CC[C@H](C(=O)O)C1 SY059752 [0,1,0,1,0,0|1,0,1]=4 796 B9R1.69 CC1CCC(=O)CC1=O SY271609 [0,1,0,1,0,0|1,0,1]=4 797 B9R1.69 CN1CCC(N)CC1=O SY029828 [0,1,0,1,0,0|2,0,0]=4 798 B9R1.95 COC1CC(C(=O)O)C1 SY099991 [0,1,0,1,0,0|2,0,0]=4 799 B9R1.95 O=C(O)C1CC(CO)C1 SY045202 [0,1,0,1,0,0|2,0,0]=4 800 B9R1.110 C[C@@H](C(=O)O)C1CCC1 SY299884 [0,1,0,1,0,0|1,0,0]=3 801 B9R1.110 C[C@H](C(=O)O)C1CCC1 SY299883 [0,1,0,1,0,0|1,0,0]=3 802 B9R1.110 NC(C(=O)O)C1CCC1 SY097683 [0,1,0,1,0,0|1,0,0]=3 803 B9R1.112 CC(SC1CC1)C(=O)O SY254090 [0,1,0,1,0,0|2,0,0]=4 804 B9R1.112 N[C@@H](CC1CC1)C(=O)O SY035270 [0,1,0,1,0,0|1,0,0]=3 805 B9R1.112 N[C@H](CC1CC1)C(=O)O SY021328 [0,1,0,1,0,0|1,0,0]=3 806 B9R1.163 CC1(C(=O)O)CCCO1 SY012393 [0,1,0,1,0,0|2,0,0]=4 807 B9R1.163 CC1(C(=O)O)CCNC1 SY101588 [0,1,0,1,0,0|2,0,0]=4 808 B9R1.163 C[C@@]1(C(=O)O)CCCN1 SY018577 [0,1,0,1,0,0|2,0,0]=4 809 B9R1.163 C[C@@]1(C(=O)O)CCCN1 SY098797 [0,1,0,1,0,0|2,0,0]=4 810 B9R1.163 C[C@@]1(C(N)=O)CCCN1 SY025997 [0,1,0,1,0,0|2,0,0]=4 811 B9R1.163 C[C@]1(C(=O)O)CCCN1 SY027335 [0,1,0,1,0,0|2,0,0]=4 812 B9R1.163 NC1(C(=O)O)CCCC1 SY002601 [0,1,0,1,0,0|1,0,0]=3 813 B9R1.163 NC1(C(=O)O)CCOC1 SY039342 [0,1,0,1,0,0|2,0,0]=4 814 B9R1.163 O=C(O)C1(F)CCCC1 SY039481 [0,1,0,1,0,0|1,0,0]=3 815 B9R1.163 O=C(O)C1(O)CCCC1 SY031777 [0,1,0,1,0,0|1,0,0]=3 816 B9R1.10 CC1(C)CCC(N)CC1 SY019819 [0,1,0,1,0,0|1,0,1]=4 817 B9R1.10 CC1(C)CCC(N)CC1 SY020874 [0,1,0,1,0,0|1,0,1]=4 818 B9R1.10 CC1(C)CCC(O)CC1 SY047599 [0,1,0,1,0,0|1,0,1]=4 819 B9R1.10 C[C@]1(O)CC[C@@H](N)CC1 SY045313 [0,1,0,1,0,0|0,0,2]=4 820 B9R1.10 C[N+]1(C)CCC(N)CC1 SY261807 [0,1,0,1,0,0|2,0,0]=4 821 B9R1.10 NC1CCS(=O)(=O)CC1 SY025397 [0,1,0,1,0,0|2,0,0]=4 822 B9R1.10 NC1CCS(=O)(=O)CC1 SY027340 [0,1,0,1,0,0|2,0,0]=4 823 B9R1.10 O=S1(=O)CCC(O)CC1 SY043088 [0,1,0,1,0,0|2,0,0]=4 824 B9R1.82 COC(=O)C1CC(=O)C1 SY012186 [0,1,0,1,0,0|1,0,1]=4 825 B9R1.133 O=S1(=O)CCC(CO)C1 SY148465 [0,1,0,1,0,0|2,0,0]=4 826 B9R1.19 CS(=O)(=O)C1CCNC1 SY027342 [0,1,0,1,0,0|2,0,0]=4 827 B9R1.19 NS(=O)(=O)C1CCCC1 SY186110 [0,1,0,1,0,0|2,0,0]=4 828 B9R1.19 O=S(=O)([O-])C1CCCC1 SY057504 [0,1,0,1,0,0|2,0,0]=4 829 B9R1.114 CS(=O)(=O)CC1CNC1 SY233920 [0,1,0,1,0,0|2,0,0]=4 830 B9R1.161 O=C(O)C1CC1C(F)F SY267502 [0,1,0,1,0,0|2,0,0]=4 831 B9R2.39 O=C1CC2CCC1C2 SY049592 [0,0,0,2,0,0|0,0,0]=2 832 B9R2.39 O=C1CC2CNC1C2 SY262130 [0,0,0,2,0,0|1,0,0]=3 833 B9R2.39 O=C1NC2COC1C2 SY296805 [0,0,0,2,0,0|2,0,0]=4 834 B9R2.68 C1CC2CCC(C1)N2 SY097135 [0,0,0,2,0,0|1,0,1]=4 835 B9R2.110 NC12CCC(CC1)C2 SY153705 [0,0,0,2,0,0|1,0,1]=4 836 B9R2.139 O=C1CCC2(CC2)N1 SY023744 [0,0,0,2,0,0|1,0,0]=3 837 B9R2.109 O=C1CCCC2OC12 SY112669 [0,0,0,2,0,0|1,0,0]=3 838 B9R2.7 O=C1CC2C=CCC12 SY056869 [0,0,0,2,0,0|0,0,2]=4 839 B9R2.7 [C@H]12CCC[C@H]1C(=O)N2 SY012376 [0,0,0,2,0,0|1,0,0]=3 840 B9R2.138 O=C1CC2(CCC2)C1 SY042178 [0,0,0,2,0,0|0,0,0]=2 841 B9R2.138 O=C1CC2(COC2)C1 SY097248 [0,0,0,2,0,0|1,0,0]=3 842 B9R2.143 NC(=O)[C@H]1CC12CC2 SY296012 [0,0,0,2,0,0|1,0,0]=3 843 B9R2.143 O=C(O)C1CC12CC2 SY192623 [0,0,0,2,0,0|1,0,0]=3 844 B9R2.143 O=C(O)[C@@H]1CC12CC2 SY288296 [0,0,0,2,0,0|1,0,0]=3 845 B9R2.143 O=C(O)[C@H]1CC12CC2 SY292257 [0,0,0,2,0,0|1,0,0]=3