0 B6R0.1 C#CC(O)CCC SBB067434 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 C=CC(=O)OCC SBB060348 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 CCC(O)COC SBB072708 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 CCCC(=O)CC SBB061496 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.1 CCCC(=O)NN SBB028175 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 CCCC(=O)OC SBB061104 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.1 CCCC(C)CO SBB061282 [0,0,0,0,0,0|0,0,2]=2 7 B6R0.1 CCCC(O)CC SBB061363 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.1 CCC\C(N)=N/O SBB028173 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.1 CCNC(C)CO SBB046531 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.1 CNC(C)CCO SBB046542 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.1 CNCC(C)OC SBB049894 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.1 COCC(O)CN SBB051203 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.1 OC(CBr)CCBr SBB007842 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.1 CC(=O)CC#N SBB014113 [1,0,0,0,0,0|1,0,2]=4 15 B5R0.1 CC(C)CCBr SBB061181 [1,0,0,0,0,0|1,0,1]=3 16 B5R0.1 CC(C)CCO SBB060162 [1,0,0,0,0,0|1,0,1]=3 17 B5R0.1 CC(C)CNN SBB042741 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CCCC(=O)Cl SBB040624 [1,0,0,0,0,0|1,0,1]=3 19 B5R0.1 CCOC(=O)Cl SBB040861 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CN(C)CCBr SBB073020 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 CN(C)CCN SBB007533 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 COCC(=O)O SBB061376 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 CS(=O)CCN SBB050811 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.1 CSCC(=O)O SBB053570 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 O=C(O)CCBr SBB065770 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 O=C(O)CCCl SBB069140 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 [NH+](C)(C)CCCl SBB057087 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.2 BrCCCCBr SBB060204 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.2 C=COCCCl SBB061485 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.2 C=COCCN SBB072719 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.2 CCCCCBr SBB059933 [1,0,0,0,0,0|1,0,1]=3 32 B5R0.2 CCCCCCl SBB059951 [1,0,0,0,0,0|1,0,1]=3 33 B5R0.2 CCCN=C=S SBB060984 [1,0,0,0,0,0|1,1,1]=4 34 B5R0.2 CCOCCBr SBB008332 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.2 CCOCCCl SBB061015 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.2 CCOCCN SBB072161 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.2 CCSCCN SBB017894 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.2 CNCCCN SBB059823 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.2 CSCCCO SBB056451 [1,0,0,0,0,0|1,0,2]=4 40 B5R0.2 FCCCCBr SBB087044 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.2 N#CCCCBr SBB054746 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.2 N#CCCCCl SBB061739 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.2 NCCCCN SBB059998 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.2 O=C=NCCCl SBB054898 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.2 OCCCCCl SBB002444 [1,0,0,0,0,0|1,0,2]=4 46 B5R0.3 C=CC(Cl)CCl SBB060215 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.3 C=CC(O)CBr SBB007652 [1,0,0,0,0,0|3,0,0]=4 48 B5R0.3 CCC(C)CBr SBB007669 [1,0,0,0,0,0|1,0,1]=3 49 B5R0.3 CCC(Cl)CCl SBB060453 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.3 CCC(N)CC SBB000050 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.3 CCC(N)CC SBB071911 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.3 O=CC(Br)C=O SBB069441 [1,0,0,0,0,0|2,0,1]=4 53 B7R0.2 CC(CO)CN(C)C SBB046544 [0,1,0,0,0,0|1,0,2]=4 54 B7R0.3 C=CC(O)CCCC SBB008778 [0,1,0,0,0,0|2,0,0]=3 55 B7R0.3 CC(CN)CCCN SBB058625 [0,1,0,0,0,0|1,0,1]=3 56 B7R0.3 CCCCC(Cl)CCl SBB060394 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.3 CCN(C)CCCO SBB046555 [0,1,0,0,0,0|2,0,1]=4 58 B7R0.3 CCNCC(O)CC SBB072921 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.3 CCOCC(O)CN SBB017905 [0,1,0,0,0,0|2,0,1]=4 60 B7R0.3 OC[C@H](CCSC)N SBB006701 [0,1,0,0,0,0|1,0,2]=4 61 B7R0.5 CC(CCN)N(C)C SBB046536 [0,1,0,0,0,0|3,0,0]=4 62 B7R0.5 CC(CCO)N(C)C SBB046554 [0,1,0,0,0,0|3,0,0]=4 63 B7R0.5 CC(NC=O)C(=O)O SBB047145 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.5 CCCC(Br)C(=O)O SBB065976 [0,1,0,0,0,0|1,0,0]=2 65 B7R0.5 CCCC(C)C(=O)O SBB065915 [0,1,0,0,0,0|0,0,0]=1 66 B7R0.5 CCCC(C)C(C)O SBB061491 [0,1,0,0,0,0|0,0,2]=3 67 B7R0.5 CCC[C@@H](N)C(=O)O SBB065919 [0,1,0,0,0,0|1,0,0]=2 68 B7R0.5 CC\C=C(/C)C(=O)O SBB069108 [0,1,0,0,0,0|0,0,2]=3 69 B7R0.5 CSC[C@H](N)C(=O)O SBB066379 [0,1,0,0,0,0|2,0,0]=3 70 B7R0.5 NC(CCO)C(=O)O SBB065734 [0,1,0,0,0,0|2,0,0]=3 71 B7R0.5 NC(CCS)C(=O)O SBB065757 [0,1,0,0,0,0|2,0,0]=3 72 B7R0.5 NCCC(N)C(=O)O SBB053580 [0,1,0,0,0,0|2,0,0]=3 73 B7R0.5 NCCC(N)C(=O)O SBB066000 [0,1,0,0,0,0|2,0,0]=3 74 B7R0.5 NCCC(O)C(=O)O SBB066010 [0,1,0,0,0,0|2,0,0]=3 75 B7R0.5 NCC[C@H](N)C(=O)O SBB003640 [0,1,0,0,0,0|2,0,0]=3 76 B7R0.5 OC(=O)[C@H](CC=C)N SBB006743 [0,1,0,0,0,0|1,0,2]=4 77 B7R0.7 CCCC(N)CCC SBB018801 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.7 CCCC(O)CCC SBB061327 [0,1,0,0,0,0|2,0,1]=4 79 B7R0.7 CCCN(C)CCC SBB061592 [0,1,0,0,0,0|2,0,1]=4 80 B7R0.7 CCNC(C)CCO SBB046562 [0,1,0,0,0,0|1,0,2]=4 81 B7R0.7 CCOC(C)OCC SBB058503 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.7 COCC(C)N=C=S SBB059494 [0,1,0,0,0,0|1,1,1]=4 83 B7R0.10 COC(=O)C(Cl)C=O SBB072103 [0,1,0,0,0,0|2,0,1]=4 84 B7R0.10 OC[C@H]([C@@H](C)CC)N SBB027248 [0,1,0,0,0,0|1,0,2]=4 85 B7R0.11 C#CC(C)(O)CCC SBB002538 [0,1,0,0,0,0|1,0,1]=3 86 B7R0.12 CCCC(CO)CO SBB059211 [0,1,0,0,0,0|0,0,2]=3 87 B7R1.1 BrCC1CCCC1 SBB054968 [0,0,0,1,0,0|1,0,1]=3 88 B7R1.1 BrCC1CCCO1 SBB003909 [0,0,0,1,0,0|2,0,1]=4 89 B7R1.1 ClCC1CCCN1 SBB018633 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.1 ClCC1CCCO1 SBB008957 [0,0,0,1,0,0|2,0,1]=4 91 B7R1.1 N#CC1CCCC1 SBB008886 [0,0,0,1,0,0|1,0,1]=3 92 B7R1.1 N#CN1CCCC1 SBB059310 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.1 NCC1CCCO1 SBB028168 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.1 NNC1CCCC1 SBB301621 [0,0,0,1,0,0|2,0,0]=3 95 B7R1.1 O=CC1CCCC1 SBB069481 [0,0,0,1,0,0|0,0,0]=1 96 B7R1.1 O=CC1CCOC1 SBB052278 [0,0,0,1,0,0|1,0,0]=2 97 B7R1.1 OCC1CCCC1 SBB008516 [0,0,0,1,0,0|0,0,2]=3 98 B7R1.1 OCC1CCCO1 SBB058567 [0,0,0,1,0,0|1,0,2]=4 99 B7R1.1 OCC1CCNC1 SBB046413 [0,0,0,1,0,0|1,0,2]=4 100 B7R1.1 OC[C@H]1CCCN1 SBB027252 [0,0,0,1,0,0|1,0,2]=4 101 B7R1.1 ON=C1CCCC1 SBB060393 [0,0,0,1,0,0|1,0,2]=4 102 B7R1.3 BrC1C=CCCC1 SBB007864 [0,0,0,1,0,0|2,0,0]=3 103 B7R1.3 BrC1CCCCC1 SBB059944 [0,0,0,1,0,0|2,0,1]=4 104 B7R1.3 CC1CC=CCC1 SBB060473 [0,0,0,1,0,0|1,0,2]=4 105 B7R1.3 CC1CCCCC1 SBB061163 [0,0,0,1,0,0|1,0,1]=3 106 B7R1.3 CC1SCCCS1 SBB056211 [0,0,0,1,0,0|3,0,0]=4 107 B7R1.3 CN1CCCCC1 SBB060237 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.3 FC1CCCNC1 SBB070684 [0,0,0,1,0,0|2,0,1]=4 109 B7R1.3 N1CCC(C)CC1 SBB027302 [0,0,0,1,0,0|2,0,1]=4 110 B7R1.3 N1CCCC(C)C1 SBB027301 [0,0,0,1,0,0|1,0,1]=3 111 B7R1.3 N1CCCC(O)C1 SBB004193 [0,0,0,1,0,0|2,0,1]=4 112 B7R1.3 N1CCCCC1C SBB027300 [0,0,0,1,0,0|2,0,0]=3 113 B7R1.3 N1CCNC(C)C1 SBB027299 [0,0,0,1,0,0|2,0,1]=4 114 B7R1.3 NC1CCCCC1 SBB040492 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.3 NC1CCCNC1 SBB052004 [0,0,0,1,0,0|2,0,1]=4 116 B7R1.3 NC1CCCOC1 SBB012974 [0,0,0,1,0,0|1,0,2]=4 117 B7R1.3 N[C@@H]1CCCNC1 SBB069744 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.3 N[C@H]1CCCNC1 SBB017596 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.3 O=C1C=CCCC1 SBB008209 [0,0,0,1,0,0|2,0,1]=4 120 B7R1.3 OC1CCCCC1 SBB060483 [0,0,0,1,0,0|2,0,1]=4 121 B7R1.3 OC1CCCCO1 SBB055947 [0,0,0,1,0,0|3,0,0]=4 122 B7R1.3 OC1CCCNC1 SBB027351 [0,0,0,1,0,0|2,0,1]=4 123 B7R1.4 BrC1CCCC1Br SBB060684 [0,0,0,1,0,0|2,0,1]=4 124 B7R1.4 CN1CCCC1=O SBB060297 [0,0,0,1,0,0|1,0,0]=2 125 B7R1.4 ClC1CCCC1Cl SBB060212 [0,0,0,1,0,0|2,0,1]=4 126 B7R1.4 NC1CCOC1=O SBB004366 [0,0,0,1,0,0|2,0,0]=3 127 B7R1.4 NC1CCOC1=O SBB057192 [0,0,0,1,0,0|2,0,0]=3 128 B7R1.4 NC1CCSC1=O SBB004035 [0,0,0,1,0,0|2,0,0]=3 129 B7R1.4 N[C@H]1CONC1=O SBB006706 [0,0,0,1,0,0|3,0,0]=4 130 B7R1.4 O=C1OCCC1Br SBB083094 [0,0,0,1,0,0|2,0,0]=3 131 B7R1.4 OC1CCCC1Cl SBB060196 [0,0,0,1,0,0|1,0,2]=4 132 B7R1.4 O[C@H]1CCC[C@H]1O SBB008502 [0,0,0,1,0,0|1,0,2]=4 133 B7R1.25 CC1(CN)COC1 SBB303303 [0,0,0,1,0,0|2,0,1]=4 134 B7R1.25 CC1(CO)COC1 SBB006512 [0,0,0,1,0,0|1,0,2]=4 135 B7R1.25 CC1(CO)COC1 SBB009078 [0,0,0,1,0,0|1,0,2]=4 136 B4R0.1 CC(Br)CBr SBB060202 [2,0,0,0,0,0|2,0,0]=4 137 B4R0.1 CC(Br)CCl SBB061477 [2,0,0,0,0,0|2,0,0]=4 138 B4R0.1 CC(C)CBr SBB059932 [2,0,0,0,0,0|1,0,1]=4 139 B4R0.1 CC(C)NN SBB002129 [2,0,0,0,0,0|2,0,0]=4 140 B4R0.1 CC(Cl)CCl SBB059979 [2,0,0,0,0,0|2,0,0]=4 141 B4R0.1 CCC(C)Br SBB059931 [2,0,0,0,0,0|1,0,0]=3 142 B4R0.1 CCN(C)N SBB107453 [2,0,0,0,0,0|2,0,0]=4 143 B4R0.2 BrCCCBr SBB060203 [2,0,0,0,0,0|2,0,0]=4 144 B4R0.2 CCCCBr SBB059930 [2,0,0,0,0,0|1,0,0]=3 145 B4R0.2 CNCCI SBB071605 [2,0,0,0,0,0|2,0,0]=4 146 B4R0.2 COCCBr SBB007906 [2,0,0,0,0,0|2,0,0]=4 147 B4R0.2 C\C=C\CC SBB059879 [2,0,0,0,0,0|0,0,2]=4 148 B4R0.2 ClCCCBr SBB058669 [2,0,0,0,0,0|2,0,0]=4 149 B4R0.2 ClCCCCl SBB040918 [2,0,0,0,0,0|2,0,0]=4 150 B4R0.2 OCCCBr SBB054750 [2,0,0,0,0,0|1,0,1]=4 151 B4R0.2 [NH2+](CC)CC SBB059849 [2,0,0,0,0,0|1,0,0]=3 152 B6R0.2 CC(=O)CC(C)=O SBB009914 [1,1,0,0,0,0|0,0,2]=4 153 B6R0.2 CC(=O)CC(C)C SBB060384 [1,1,0,0,0,0|0,0,1]=3 154 B6R0.2 CC(C)CC(=O)Cl SBB040623 [1,1,0,0,0,0|1,0,1]=4 155 B6R0.2 CC(C)CC(C)Br SBB007950 [1,1,0,0,0,0|0,0,1]=3 156 B6R0.2 CC(C)CC(C)O SBB061337 [1,1,0,0,0,0|0,0,1]=3 157 B6R0.2 CC(C)CC(N)=O SBB028167 [1,1,0,0,0,0|1,0,1]=4 158 B6R0.2 CC(C)NC(C)C SBB059763 [1,1,0,0,0,0|1,0,1]=4 159 B6R0.2 CC(O)CC(=O)O SBB065815 [1,1,0,0,0,0|1,0,1]=4 160 B6R0.2 CC(O)CN(C)C SBB060002 [1,1,0,0,0,0|1,0,1]=4 161 B6R0.3 CCC(=O)C(C)=O SBB061626 [1,1,0,0,0,0|0,0,2]=4 162 B6R0.3 CCC(Br)C(=O)O SBB040791 [1,1,0,0,0,0|1,0,1]=4 163 B6R0.3 CCC(C)C(C)C SBB061452 [1,1,0,0,0,0|0,0,1]=3 164 B6R0.3 CCC(N)C(N)=O SBB017505 [1,1,0,0,0,0|1,0,1]=4 165 B6R0.3 CC[C@H](N)C(=O)O SBB053588 [1,1,0,0,0,0|1,0,1]=4 166 B6R0.4 C=CCCC(C)=O SBB009089 [1,1,0,0,0,0|0,0,2]=4 167 B6R0.4 CC(=O)NCCCl SBB008165 [1,1,0,0,0,0|1,0,1]=4 168 B6R0.4 CC(=O)NCCN SBB028176 [1,1,0,0,0,0|1,0,1]=4 169 B6R0.4 CC(=O)NCCO SBB007954 [1,1,0,0,0,0|1,0,1]=4 170 B6R0.4 CC(=O)OCCCl SBB058505 [1,1,0,0,0,0|1,0,1]=4 171 B6R0.4 CC(C)NCCN SBB048119 [1,1,0,0,0,0|1,0,1]=4 172 B6R0.4 CC(C)NCCO SBB056428 [1,1,0,0,0,0|1,0,1]=4 173 B6R0.4 CC(C)OCCN SBB301616 [1,1,0,0,0,0|1,0,1]=4 174 B6R0.4 CCC#CC(C)=O SBB009086 [1,1,0,0,0,0|0,0,2]=4 175 B6R0.4 CCC#CC(C)O SBB067141 [1,1,0,0,0,0|0,0,2]=4 176 B6R0.4 CCCCC(=O)O SBB053585 [1,1,0,0,0,0|1,0,1]=4 177 B6R0.4 CCCCC(C)=O SBB061262 [1,1,0,0,0,0|0,0,1]=3 178 B6R0.4 CCCCC(C)O SBB061290 [1,1,0,0,0,0|0,0,1]=3 179 B6R0.4 CCCCC(N)=O SBB028169 [1,1,0,0,0,0|1,0,1]=4 180 B6R0.4 CCCCN(C)C SBB060243 [1,1,0,0,0,0|1,0,1]=4 181 B6R0.4 CCCNC(N)=O SBB028174 [1,1,0,0,0,0|1,0,1]=4 182 B6R0.4 CCCOC(C)=O SBB060305 [1,1,0,0,0,0|0,0,1]=3 183 B6R0.4 CCCOC(N)=O SBB000036 [1,1,0,0,0,0|1,0,1]=4 184 B6R0.4 CCOCC(=O)O SBB069120 [1,1,0,0,0,0|1,0,1]=4 185 B6R0.4 CCOCC(C)O SBB061006 [1,1,0,0,0,0|0,0,1]=3 186 B6R0.4 CCSCC(=O)O SBB047288 [1,1,0,0,0,0|1,0,1]=4 187 B6R0.4 CN(C)CCCN SBB028177 [1,1,0,0,0,0|1,0,1]=4 188 B6R0.4 CNCCC(N)=O SBB080375 [1,1,0,0,0,0|1,0,1]=4 189 B6R0.4 NCCCC(=O)O SBB028179 [1,1,0,0,0,0|1,0,1]=4 190 B6R0.4 O=C(Cl)CCCCl SBB060894 [1,1,0,0,0,0|1,0,1]=4 191 B6R0.4 O=C(O)CCCBr SBB065986 [1,1,0,0,0,0|1,0,1]=4 192 B6R0.5 CC(C)(C)CCCl SBB059953 [1,1,0,0,0,0|1,0,1]=4 193 B6R0.5 CC(C)(C)CCN SBB059532 [1,1,0,0,0,0|1,0,1]=4 194 B6R0.5 CCCC(C)(C)N SBB052122 [1,1,0,0,0,0|0,0,1]=3 195 B6R0.5 CCCS(=O)(=O)Cl SBB048026 [1,1,0,0,0,0|2,0,0]=4 196 B6R0.5 CCNC(C)(C)C SBB052124 [1,1,0,0,0,0|1,0,1]=4 197 B6R0.5 CCOS(C)(=O)=O SBB058685 [1,1,0,0,0,0|2,0,0]=4 198 B6R0.5 CS(=O)(=O)CCN SBB047603 [1,1,0,0,0,0|2,0,0]=4 199 B6R0.6 C#CCCCCC SBB067441 [1,1,0,0,0,0|1,0,1]=4 200 B6R0.6 C#CCCCCO SBB015110 [1,1,0,0,0,0|1,0,1]=4 201 B6R0.6 C=CCCCCBr SBB054740 [1,1,0,0,0,0|1,0,0]=3 202 B6R0.6 C=CCCCCC SBB059882 [1,1,0,0,0,0|1,0,0]=3 203 B6R0.6 C=CCOCCO SBB060194 [1,1,0,0,0,0|2,0,0]=4 204 B6R0.6 CCCCCC#N SBB060051 [1,1,0,0,0,0|1,0,1]=4 205 B6R0.6 CCCCCCBr SBB059934 [1,1,0,0,0,0|1,0,1]=4 206 B6R0.6 CCCCCCCl SBB059952 [1,1,0,0,0,0|1,0,1]=4 207 B6R0.6 CCCCCCN SBB059984 [1,1,0,0,0,0|1,0,1]=4 208 B6R0.6 CCCCCCO SBB059899 [1,1,0,0,0,0|0,0,2]=4 209 B6R0.6 CCCCCOC SBB061300 [1,1,0,0,0,0|0,0,2]=4 210 B6R0.6 CCCCN=C=S SBB060985 [1,1,0,0,0,0|0,1,1]=4 211 B6R0.6 CCCCNC=O SBB060026 [1,1,0,0,0,0|0,0,0]=2 212 B6R0.6 CCCCOC=O SBB060300 [1,1,0,0,0,0|0,0,0]=2 213 B6R0.6 CCCCSC#N SBB056760 [1,1,0,0,0,0|1,0,1]=4 214 B6R0.6 CCCCSCC SBB061178 [1,1,0,0,0,0|1,0,1]=4 215 B6R0.6 CCCNCCC SBB059762 [1,1,0,0,0,0|1,0,1]=4 216 B6R0.6 CCCOCCO SBB061379 [1,1,0,0,0,0|0,0,2]=4 217 B6R0.6 CCCSCCC SBB061017 [1,1,0,0,0,0|1,0,1]=4 218 B6R0.6 CCCSCCO SBB058605 [1,1,0,0,0,0|0,0,2]=4 219 B6R0.6 CCC\C=C\C=O SBB067097 [1,1,0,0,0,0|0,0,1]=3 220 B6R0.6 CCNCCC#N SBB006528 [1,1,0,0,0,0|1,0,1]=4 221 B6R0.6 CCOCCC#N SBB067181 [1,1,0,0,0,0|1,0,1]=4 222 B6R0.6 CCOCCCN SBB028180 [1,1,0,0,0,0|1,0,1]=4 223 B6R0.6 N#CCCCCCl SBB061418 [1,1,0,0,0,0|1,0,1]=4 224 B6R0.6 NCCCCCN SBB079706 [1,1,0,0,0,0|1,0,1]=4 225 B6R0.6 O=C=NCCCCl SBB068362 [1,1,0,0,0,0|1,0,1]=4 226 B6R0.8 C#CC(C)(N)CC SBB001893 [1,1,0,0,0,0|1,0,1]=4 227 B6R0.8 C#CC(C)(O)CC SBB002148 [1,1,0,0,0,0|1,0,1]=4 228 B6R0.8 CCC(C)(O)CC SBB060948 [1,1,0,0,0,0|1,0,1]=4 229 B6R0.9 C=CC(CCl)OC SBB061093 [1,1,0,0,0,0|2,0,0]=4 230 B6R0.9 CC=C(CC)CC SBB059883 [1,1,0,0,0,0|1,0,1]=4 231 B6R0.9 CCC(C=O)CC SBB059875 [1,1,0,0,0,0|0,0,0]=2 232 B6R0.9 CCC(CC)CBr SBB059935 [1,1,0,0,0,0|1,0,1]=4 233 B6R0.9 CCC(CC)CN SBB028171 [1,1,0,0,0,0|1,0,1]=4 234 B6R0.9 CCC(CC)CO SBB059900 [1,1,0,0,0,0|0,0,2]=4 235 B6R0.9 CCC(CN)OC SBB302370 [1,1,0,0,0,0|1,0,1]=4 236 B6R0.9 CCN(C=O)CC SBB056822 [1,1,0,0,0,0|1,0,0]=3 237 B8R0.2 CCC(C)C(Br)C(=O)O SBB069132 [0,2,0,0,0,0|1,0,0]=3 238 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)O SBB037854 [0,2,0,0,0,0|1,0,0]=3 239 B8R0.2 [NH3+][C@H](C(=O)[O-])[C@H](C)OC SBB069865 [0,2,0,0,0,0|2,0,0]=4 240 B8R0.5 CCCC(C)CC(=O)O SBB061321 [0,2,0,0,0,0|0,0,0]=2 241 B8R0.19 CCC(C)NC(C)CC SBB059801 [0,2,0,0,0,0|1,0,1]=4 242 B8R0.19 CCN(C)CC(C)CN SBB046527 [0,2,0,0,0,0|1,0,1]=4 243 B8R0.23 CC(=O)CC(C)C(=O)O SBB053608 [0,2,0,0,0,0|0,0,1]=3 244 B8R0.23 CC(=O)NC(C)C(=O)O SBB000064 [0,2,0,0,0,0|1,0,1]=4 245 B8R0.23 CC(C)CC(N)C(N)=O SBB000156 [0,2,0,0,0,0|1,0,0]=3 246 B8R0.23 CC(C)CC(N)C(N)=O SBB072626 [0,2,0,0,0,0|1,0,0]=3 247 B8R0.23 CC(C)C[C@@H](N)C(=O)O SBB006736 [0,2,0,0,0,0|1,0,0]=3 248 B8R0.23 CC(C)C[C@H](O)C(=O)O SBB065948 [0,2,0,0,0,0|1,0,0]=3 249 B8R0.23 CC(C)OC(C)C(=O)[O-] SBB080489 [0,2,0,0,0,0|1,0,0]=3 250 B8R0.23 CC(CC(=O)O)C(=O)O SBB061436 [0,2,0,0,0,0|1,0,1]=4 251 B8R0.24 CC(CO)CC(C)(C)C SBB072702 [0,2,0,0,0,0|0,0,2]=4 252 B8R0.34 C#CC(C)(O)CC(C)C SBB002131 [0,2,0,0,0,0|1,0,1]=4 253 B8R0.34 C(=O)C(C)(C)CN(C)C SBB007757 [0,2,0,0,0,0|1,0,0]=3 254 B8R0.34 CC(C)CC(C)(C)CO SBB061316 [0,2,0,0,0,0|0,0,2]=4 255 B8R0.3 C#CC(O)C(C)CCC SBB009074 [0,2,0,0,0,0|0,0,2]=4 256 B8R0.3 CCOC(=O)C(Cl)C=O SBB054117 [0,2,0,0,0,0|1,0,1]=4 257 B8R0.3 CCOC(C)C(=O)NN SBB080048 [0,2,0,0,0,0|1,0,0]=3 258 B8R0.3 COC(=O)C(C)CCCl SBB054131 [0,2,0,0,0,0|1,0,0]=3 259 B8R0.3 COC(=O)[C@@H](N)CSC SBB080950 [0,2,0,0,0,0|2,0,0]=4 260 B8R0.3 O=CC[C@H](O)[C@H](O)CO SBB067136 [0,2,0,0,0,0|2,0,0]=4 261 B8R0.8 CC(=O)N(C)CCC#N SBB001628 [0,2,0,0,0,0|1,0,1]=4 262 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [0,2,0,0,0,0|1,0,1]=4 263 B8R0.8 CCCCC(Br)C(=O)O SBB069524 [0,2,0,0,0,0|1,0,0]=3 264 B8R0.8 CCCCC(C)C(=O)O SBB072714 [0,2,0,0,0,0|0,0,0]=2 265 B8R0.8 CCCCC(N)C(C)=O SBB014561 [0,2,0,0,0,0|1,0,0]=3 266 B8R0.8 CCCC[C@H](N)C(=O)O SBB065920 [0,2,0,0,0,0|1,0,0]=3 267 B8R0.8 NCCCC(N)C(=O)O SBB047988 [0,2,0,0,0,0|1,0,0]=3 268 B8R0.8 OC(=O)C(C)CCCCl SBB004068 [0,2,0,0,0,0|0,0,0]=2 269 B8R0.8 OC(=O)[C@@H](CCSC)N SBB006710 [0,2,0,0,0,0|1,0,0]=3 270 B8R0.8 [NH3+]CCCC(N)C(=O)O SBB061681 [0,2,0,0,0,0|1,0,0]=3 271 B8R0.9 COC(C)OCC(C)C SBB059866 [0,2,0,0,0,0|2,0,0]=4 272 B8R0.11 C(=O)\C(=C\CCC)CC SBB008156 [0,2,0,0,0,0|0,0,1]=3 273 B8R0.11 CCCCC(C=O)CC SBB060148 [0,2,0,0,0,0|0,0,0]=2 274 B8R0.11 CCCCC(CC)CBr SBB059938 [0,2,0,0,0,0|1,0,1]=4 275 B8R0.11 CCCCC(CC)CCl SBB005809 [0,2,0,0,0,0|1,0,1]=4 276 B8R0.11 CCCCC(CC)CI SBB061182 [0,2,0,0,0,0|1,0,1]=4 277 B8R0.11 CCCCC(CC)CO SBB059906 [0,2,0,0,0,0|0,0,2]=4 278 B8R0.11 CCCCC(CO)CO SBB059212 [0,2,0,0,0,0|0,0,2]=4 279 B8R0.11 NCC(CC)CCCC SBB006745 [0,2,0,0,0,0|1,0,1]=4 280 B8R0.25 C#CC(C)(O)CCCC SBB002537 [0,2,0,0,0,0|1,0,1]=4 281 B8R0.25 CC(C)(CO)CCCN SBB007685 [0,2,0,0,0,0|0,0,2]=4 282 B8R0.25 CCCCC(C)(O)CC SBB061166 [0,2,0,0,0,0|1,0,1]=4 283 B8R0.12 C=CCC(C)(C)C(=O)O SBB053609 [0,2,0,0,0,0|0,0,2]=4 284 B8R0.12 CCCC(C)(C)C(=O)O SBB007765 [0,2,0,0,0,0|0,0,0]=2 285 B8R0.15 CCOC(CC)C(N)=O SBB116764 [0,2,0,0,0,0|1,0,0]=3 286 B8R0.22 C(=O)N(CCC)CCC SBB008026 [0,2,0,0,0,0|1,0,0]=3 287 B8R0.22 CCCC(C=O)CCC SBB052355 [0,2,0,0,0,0|0,0,0]=2 288 B6R1.2 BrC1CCCC1 SBB040823 [1,0,0,1,0,0|1,0,0]=3 289 B6R1.2 F[C@H]1CCNC1 SBB085616 [1,0,0,1,0,0|2,0,0]=4 290 B6R1.2 N1CCC(N)C1 SBB027337 [1,0,0,1,0,0|2,0,0]=4 291 B6R1.2 NC1CCCC1 SBB040467 [1,0,0,1,0,0|1,0,0]=3 292 B6R1.2 NC1CCNC1 SBB003982 [1,0,0,1,0,0|2,0,0]=4 293 B6R1.2 NN1CCCC1 SBB066760 [1,0,0,1,0,0|2,0,0]=4 294 B6R1.2 O=C1CCCC1 SBB040835 [1,0,0,1,0,0|0,0,1]=3 295 B6R1.2 O=C1CCCN1 SBB060296 [1,0,0,1,0,0|1,0,1]=4 296 B6R1.2 O=C1CCSC1 SBB007947 [1,0,0,1,0,0|1,0,1]=4 297 B6R1.2 OC1CCNC1 SBB056152 [1,0,0,1,0,0|1,0,1]=4 298 B6R1.2 O[C@H]1CCNC1 SBB004272 [1,0,0,1,0,0|1,0,1]=4 299 B6R1.2 O[C@H]1CCNC1 SBB027336 [1,0,0,1,0,0|1,0,1]=4 300 B6R1.2 O[C@H]1CCOC1 SBB062959 [1,0,0,1,0,0|1,0,1]=4 301 B6R1.10 CC1(N)CCC1 SBB072407 [1,0,0,1,0,0|1,0,0]=3 302 B6R1.11 CC(=O)C1CC1 SBB040825 [1,0,0,1,0,0|0,0,1]=3 303 B6R1.11 CC(N)C1CC1 SBB027096 [1,0,0,1,0,0|1,0,0]=3 304 B6R1.11 NC(=O)C1CC1 SBB008326 [1,0,0,1,0,0|1,0,1]=4 305 B6R1.11 O=C(Cl)C1CC1 SBB061720 [1,0,0,1,0,0|1,0,1]=4 306 B6R1.11 O=C(O)C1CC1 SBB008028 [1,0,0,1,0,0|1,0,1]=4 307 B6R1.1 C1=COCCC1 SBB060381 [1,0,0,1,0,0|0,0,2]=4 308 B6R1.6 BrCC1CCC1 SBB054975 [1,0,0,1,0,0|1,0,1]=4 309 B6R1.6 NCC1CCC1 SBB108847 [1,0,0,1,0,0|1,0,1]=4 310 B6R1.7 CC1(CO)CC1 SBB084505 [1,0,0,1,0,0|0,0,2]=4 311 B8R1.1 CN1CCC(CCl)C1 SBB012983 [0,1,0,1,0,0|1,0,1]=4 312 B8R1.1 CNC1CCN(C)C1 SBB052021 [0,1,0,1,0,0|2,0,0]=4 313 B8R1.1 N[C@@H]1C=C[C@H](CO)C1 SBB054869 [0,1,0,1,0,0|2,0,0]=4 314 B8R1.4 CC1=CC(=O)CCC1 SBB007736 [0,1,0,1,0,0|0,0,1]=3 315 B8R1.4 CC1CCCC(C)C1 SBB061164 [0,1,0,1,0,0|1,0,1]=4 316 B8R1.4 CC1CCCC(C)N1 SBB004313 [0,1,0,1,0,0|1,0,1]=4 317 B8R1.4 CC1CCCC(O)C1 SBB061310 [0,1,0,1,0,0|0,0,2]=4 318 B8R1.4 CC1CCNC(C)C1 SBB004310 [0,1,0,1,0,0|1,0,1]=4 319 B8R1.4 CC1CNCC(C)C1 SBB027312 [0,1,0,1,0,0|1,0,1]=4 320 B8R1.4 NC1=CC(=O)CCC1 SBB028190 [0,1,0,1,0,0|1,0,1]=4 321 B8R1.4 O=C1CCCC(=O)C1 SBB061546 [0,1,0,1,0,0|1,0,1]=4 322 B8R1.4 O=C1CCCC(=O)O1 SBB060010 [0,1,0,1,0,0|1,0,1]=4 323 B8R1.18 CC1=CC(=O)C(C)O1 SBB055769 [0,1,0,1,0,0|1,0,1]=4 324 B8R1.2 BrCC1CCCCO1 SBB054944 [0,1,0,1,0,0|1,0,1]=4 325 B8R1.2 BrCC1CCCNC1 SBB019055 [0,1,0,1,0,0|1,0,1]=4 326 B8R1.2 BrCC1CCOCC1 SBB054945 [0,1,0,1,0,0|1,0,1]=4 327 B8R1.2 C(=O)N1CCCCC1 SBB004316 [0,1,0,1,0,0|1,0,0]=3 328 B8R1.2 C(=O)N1CCNCC1 SBB027307 [0,1,0,1,0,0|1,0,0]=3 329 B8R1.2 C(=O)N1CCOCC1 SBB007670 [0,1,0,1,0,0|1,0,0]=3 330 B8R1.2 C=CC1CC=CCC1 SBB059892 [0,1,0,1,0,0|1,0,1]=4 331 B8R1.2 CCC1CCCCC1 SBB061162 [0,1,0,1,0,0|1,0,1]=4 332 B8R1.2 CCC1CCNCC1 SBB046379 [0,1,0,1,0,0|1,0,1]=4 333 B8R1.2 COC1C=CCCC1 SBB060461 [0,1,0,1,0,0|1,0,0]=3 334 B8R1.2 COC1CCNCC1 SBB019028 [0,1,0,1,0,0|2,0,0]=4 335 B8R1.2 ClCC1CCCCO1 SBB040653 [0,1,0,1,0,0|1,0,1]=4 336 B8R1.2 N#CC1CCCCC1 SBB008404 [0,1,0,1,0,0|1,0,1]=4 337 B8R1.2 N#CC1CCNCC1 SBB062695 [0,1,0,1,0,0|1,0,1]=4 338 B8R1.2 N#CC1CCOCC1 SBB019014 [0,1,0,1,0,0|1,0,1]=4 339 B8R1.2 N(C)C1CCCCC1 SBB004314 [0,1,0,1,0,0|1,0,1]=4 340 B8R1.2 N1CCCCC1CC SBB004312 [0,1,0,1,0,0|1,0,1]=4 341 B8R1.2 NCC1CCCCC1 SBB028193 [0,1,0,1,0,0|1,0,1]=4 342 B8R1.2 NCC1CCCCN1 SBB069774 [0,1,0,1,0,0|1,0,1]=4 343 B8R1.2 NCC1CCCCO1 SBB085471 [0,1,0,1,0,0|1,0,1]=4 344 B8R1.2 NCC1CCCOC1 SBB013821 [0,1,0,1,0,0|0,0,2]=4 345 B8R1.2 NCC1CCNCC1 SBB004305 [0,1,0,1,0,0|1,0,1]=4 346 B8R1.2 NCC1CCOCC1 SBB014254 [0,1,0,1,0,0|1,0,1]=4 347 B8R1.2 O=CC1=CCCOC1 SBB018863 [0,1,0,1,0,0|0,0,2]=4 348 B8R1.2 O=CC1CC=CCC1 SBB068360 [0,1,0,1,0,0|0,0,1]=3 349 B8R1.2 O=CC1CCNCC1 SBB052337 [0,1,0,1,0,0|0,0,0]=2 350 B8R1.2 O=CC1CCOCC1 SBB052321 [0,1,0,1,0,0|0,0,0]=2 351 B8R1.2 OCC1CCCCC1 SBB061328 [0,1,0,1,0,0|0,0,2]=4 352 B8R1.2 OCC1CCCCN1 SBB058544 [0,1,0,1,0,0|0,0,2]=4 353 B8R1.2 OCC1CCCCO1 SBB008943 [0,1,0,1,0,0|0,0,2]=4 354 B8R1.2 OCC1CCCOC1 SBB014200 [0,1,0,1,0,0|0,0,2]=4 355 B8R1.2 OCC1CCNCC1 SBB054833 [0,1,0,1,0,0|0,0,2]=4 356 B8R1.3 CC1CCC(C)CC1 SBB061451 [0,1,0,1,0,0|1,0,1]=4 357 B8R1.3 CC1CCC(O)CC1 SBB060479 [0,1,0,1,0,0|1,0,1]=4 358 B8R1.3 C[C@H]1CC[C@H](N)CC1 SBB069772 [0,1,0,1,0,0|1,0,1]=4 359 B8R1.3 N1CC(C)NCC1C SBB004303 [0,1,0,1,0,0|1,0,1]=4 360 B8R1.5 CC1=C(C)CCCC1 SBB060472 [0,1,0,1,0,0|1,0,1]=4 361 B8R1.5 CC1=NCCCN1C SBB001664 [0,1,0,1,0,0|2,0,0]=4 362 B8R1.5 CC1CCCCC1=O SBB058517 [0,1,0,1,0,0|0,0,0]=2 363 B8R1.5 CC1CCCCC1N SBB061724 [0,1,0,1,0,0|1,0,1]=4 364 B8R1.5 CC1CCCCN1C SBB060747 [0,1,0,1,0,0|2,0,0]=4 365 B8R1.5 CC1CCCNC1C SBB027556 [0,1,0,1,0,0|1,0,1]=4 366 B8R1.5 CC1CNCCC1O SBB300760 [0,1,0,1,0,0|0,0,2]=4 367 B8R1.5 CC1NCCNC1=O SBB080100 [0,1,0,1,0,0|1,0,0]=3 368 B8R1.5 CC1SCCNC1=O SBB111924 [0,1,0,1,0,0|1,0,0]=3 369 B8R1.5 NC1CCCNC1=O SBB012739 [0,1,0,1,0,0|1,0,0]=3 370 B8R1.5 O=C1CCCCC1Cl SBB061548 [0,1,0,1,0,0|1,0,0]=3 371 B8R1.50 CC1C(=O)CCC1=O SBB060744 [0,1,0,1,0,0|0,0,1]=3 372 B8R1.50 CN1CCN(C)C1=O SBB008346 [0,1,0,1,0,0|1,0,0]=3 373 B8R1.50 CN1CC[N+](C)=C1F SBB086877 [0,1,0,1,0,0|2,0,0]=4 374 B8R1.50 CN1CC[N+](C)=C1F SBB092106 [0,1,0,1,0,0|2,0,0]=4 375 B8R1.50 CN1CC[N+](C)=C1F SBB097557 [0,1,0,1,0,0|2,0,0]=4 376 B8R1.50 CN1CC[N+](C)=C1F SBB099785 [0,1,0,1,0,0|2,0,0]=4 377 B8R1.52 C#CC1(O)CCCC1 SBB002132 [0,1,0,1,0,0|1,0,1]=4 378 B8R1.52 CC1(CN)CCCO1 SBB015007 [0,1,0,1,0,0|1,0,1]=4 379 B8R1.7 N=C(N)C1CCCC1 SBB056275 [0,1,0,1,0,0|1,0,0]=3 380 B8R1.7 N=C(N)N1CCCC1 SBB056159 [0,1,0,1,0,0|2,0,0]=4 381 B8R1.7 NC(=O)C1CCCN1 SBB004067 [0,1,0,1,0,0|1,0,0]=3 382 B8R1.7 NC(=O)[C@@H]1CCCN1 SBB006531 [0,1,0,1,0,0|1,0,0]=3 383 B8R1.7 O=C(O)C1CC=CC1 SBB008010 [0,1,0,1,0,0|0,0,2]=4 384 B8R1.7 O=C(O)C1CCCC1 SBB065782 [0,1,0,1,0,0|0,0,0]=2 385 B8R1.7 O=C(O)C1CCCO1 SBB004298 [0,1,0,1,0,0|1,0,0]=3 386 B8R1.7 O=C(O)C1CCNC1 SBB053378 [0,1,0,1,0,0|1,0,0]=3 387 B8R1.7 O=C(O)C1CCNC1 SBB069272 [0,1,0,1,0,0|1,0,0]=3 388 B8R1.7 O=C(O)C1CCOC1 SBB053083 [0,1,0,1,0,0|1,0,0]=3 389 B8R1.7 O=C(O)[C@@H]1CSCN1 SBB015063 [0,1,0,1,0,0|2,0,0]=4 390 B8R1.7 O=C(O)[C@H]1CCCN1 SBB006712 [0,1,0,1,0,0|1,0,0]=3 391 B8R1.7 O=C(O)[C@H]1CCNC1 SBB065825 [0,1,0,1,0,0|1,0,0]=3 392 B8R1.7 OC(=O)C1SCCN1 SBB027340 [0,1,0,1,0,0|2,0,0]=4 393 B8R1.19 CC1(Br)CCOC1=O SBB057373 [0,1,0,1,0,0|1,0,0]=3 394 B8R1.23 C=C1CC(C(=O)O)C1 SBB053430 [0,1,0,1,0,0|0,0,2]=4 395 B8R1.23 O=C1CC(C(=O)O)C1 SBB053464 [0,1,0,1,0,0|1,0,1]=4 396 B8R1.78 NC1(C(=O)O)CCC1 SBB050243 [0,1,0,1,0,0|1,0,0]=3 397 B8R1.8 C=CCC1CCCC1 SBB008872 [0,1,0,1,0,0|1,0,0]=3 398 B8R1.8 CCCC1OCCO1 SBB060981 [0,1,0,1,0,0|2,0,0]=4 399 B8R1.8 CCCC1OCCS1 SBB056724 [0,1,0,1,0,0|2,0,0]=4 400 B8R1.8 NCCC1CCCC1 SBB072011 [0,1,0,1,0,0|1,0,1]=4 401 B8R1.8 O=C=NC1CCCC1 SBB046723 [0,1,0,1,0,0|0,0,1]=3 402 B8R1.8 OCCC1CCCC1 SBB008459 [0,1,0,1,0,0|0,0,2]=4 403 B8R1.8 S=C=NC1CCCC1 SBB017610 [0,1,0,1,0,0|0,1,1]=4 404 B8R1.11 CN1CCCC1CO SBB108833 [0,1,0,1,0,0|0,0,2]=4 405 B8R1.28 C#CC(C)(O)C1CC1 SBB002556 [0,1,0,1,0,0|1,0,1]=4 406 B8R1.28 CCC(C)(O)C1CC1 SBB111789 [0,1,0,1,0,0|1,0,1]=4 407 B8R1.72 CC1(C)CCCNC1 SBB027276 [0,1,0,1,0,0|1,0,1]=4 408 B8R1.72 CC1(O)CCCCC1 SBB061165 [0,1,0,1,0,0|1,0,1]=4 409 B8R2.34 C1CC2CC1CN2 SBB013021 [0,0,0,2,0,0|1,0,1]=4