0 B4R0.2 BrCCCBr SBB060203 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.2 CCCCBr SBB059930 [0,0,0,0,0,0|2,0,0]=2 2 B4R0.2 CNCC#N SBB071612 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.2 CNCCI SBB071605 [0,0,0,0,0,0|3,0,0]=3 4 B4R0.2 COCCBr SBB007906 [0,0,0,0,0,0|3,0,0]=3 5 B4R0.2 C\C=C\CC SBB059879 [0,0,0,0,0,0|1,0,1]=2 6 B4R0.2 ClCCCBr SBB058669 [0,0,0,0,0,0|3,0,0]=3 7 B4R0.2 ClCCCCl SBB040918 [0,0,0,0,0,0|3,0,0]=3 8 B4R0.2 Cl\C=C/CCl SBB061393 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.2 OCCCBr SBB054750 [0,0,0,0,0,0|3,0,0]=3 10 B4R0.2 [NH2+](CC)CC SBB059849 [0,0,0,0,0,0|1,0,0]=1 11 B3R0.1 BrCCBr SBB040806 [1,0,0,0,0,0|2,0,0]=3 12 B3R0.1 C=CCBr SBB059929 [1,0,0,0,0,0|1,0,2]=4 13 B3R0.1 CCCBr SBB040931 [1,0,0,0,0,0|1,0,0]=2 14 B3R0.1 C\C=C\Cl SBB059896 [1,0,0,0,0,0|1,0,2]=4 15 B3R0.1 ClCCCl SBB040805 [1,0,0,0,0,0|2,0,0]=3 16 B3R0.1 N#CCBr SBB066988 [1,0,0,0,0,0|2,0,1]=4 17 B3R0.1 N#CCN SBB065784 [1,0,0,0,0,0|2,0,1]=4 18 B3R0.1 NCCBr SBB005857 [1,0,0,0,0,0|2,0,0]=3 19 B3R0.1 NCCCl SBB005775 [1,0,0,0,0,0|2,0,0]=3 20 B3R0.1 OCCBr SBB058668 [1,0,0,0,0,0|2,0,0]=3 21 B3R0.1 [NH3+]CCBr SBB060242 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 CC(C)=CCBr SBB061690 [0,1,0,0,0,0|2,0,1]=4 23 B5R0.1 CC(C)CCBr SBB061181 [0,1,0,0,0,0|2,0,0]=3 24 B5R0.1 CC(C)CCO SBB060162 [0,1,0,0,0,0|2,0,0]=3 25 B5R0.1 CC(C)CNN SBB042741 [0,1,0,0,0,0|3,0,0]=4 26 B5R0.1 CC(C)N=C=O SBB046976 [0,1,0,0,0,0|2,0,1]=4 27 B5R0.1 CC(C)N=C=S SBB056455 [0,1,0,0,0,0|2,0,1]=4 28 B5R0.1 CC(C)SC#N SBB060088 [0,1,0,0,0,0|1,0,1]=3 29 B5R0.1 CCCC(=O)Cl SBB040624 [0,1,0,0,0,0|2,0,1]=4 30 B5R0.1 CCOC(=O)Cl SBB040861 [0,1,0,0,0,0|1,1,1]=4 31 B5R0.1 CN(C)CCBr SBB073020 [0,1,0,0,0,0|3,0,0]=4 32 B5R0.1 CN(C)CCN SBB007533 [0,1,0,0,0,0|3,0,0]=4 33 B5R0.1 CS(=O)CCN SBB050811 [0,1,0,0,0,0|3,0,0]=4 34 B5R0.1 C\C(Cl)=C\CN SBB301293 [0,1,0,0,0,0|2,0,1]=4 35 B5R0.1 [NH+](C)(C)CCCl SBB057087 [0,1,0,0,0,0|3,0,0]=4 36 B5R0.2 BrCCCCBr SBB060204 [0,1,0,0,0,0|2,0,0]=3 37 B5R0.2 BrC\C=C\CBr SBB059946 [0,1,0,0,0,0|2,0,1]=4 38 B5R0.2 C=COCCCl SBB061485 [0,1,0,0,0,0|0,1,2]=4 39 B5R0.2 C=COCCN SBB072719 [0,1,0,0,0,0|0,1,2]=4 40 B5R0.2 CC#CCCO SBB009118 [0,1,0,0,0,0|1,0,1]=3 41 B5R0.2 CCC#CCO SBB009120 [0,1,0,0,0,0|1,0,1]=3 42 B5R0.2 CCCCCBr SBB059933 [0,1,0,0,0,0|1,0,0]=2 43 B5R0.2 CCCCCCl SBB059951 [0,1,0,0,0,0|1,0,0]=2 44 B5R0.2 CCCN=C=S SBB060984 [0,1,0,0,0,0|2,0,1]=4 45 B5R0.2 CCNNCC SBB069584 [0,1,0,0,0,0|1,0,0]=2 46 B5R0.2 CCOCCBr SBB008332 [0,1,0,0,0,0|0,1,0]=2 47 B5R0.2 CCOCCCl SBB061015 [0,1,0,0,0,0|0,1,0]=2 48 B5R0.2 CCOCCN SBB072161 [0,1,0,0,0,0|0,1,0]=2 49 B5R0.2 CCSCCN SBB017894 [0,1,0,0,0,0|0,0,0]=1 50 B5R0.2 CNCCCN SBB059823 [0,1,0,0,0,0|2,0,0]=3 51 B5R0.2 CSCCCO SBB056451 [0,1,0,0,0,0|2,0,0]=3 52 B5R0.2 ClC\C=C\CCl SBB060216 [0,1,0,0,0,0|2,0,1]=4 53 B5R0.2 FCCCCBr SBB087044 [0,1,0,0,0,0|2,0,0]=3 54 B5R0.2 N#CCCCBr SBB054746 [0,1,0,0,0,0|2,0,1]=4 55 B5R0.2 N#CCCCCl SBB061739 [0,1,0,0,0,0|2,0,1]=4 56 B5R0.2 NCCCCN SBB059998 [0,1,0,0,0,0|2,0,0]=3 57 B5R0.2 O=C=NCCCl SBB054898 [0,1,0,0,0,0|2,0,1]=4 58 B5R0.2 OCCCCCl SBB002444 [0,1,0,0,0,0|2,0,0]=3 59 B5R0.3 C=C(CCl)CCl SBB061694 [0,1,0,0,0,0|3,0,0]=4 60 B5R0.3 CCC(=O)NN SBB021112 [0,1,0,0,0,0|3,0,0]=4 61 B5R0.3 CCC(C)CBr SBB007669 [0,1,0,0,0,0|2,0,0]=3 62 B5R0.3 CCC(Cl)CCl SBB060453 [0,1,0,0,0,0|2,0,0]=3 63 B5R0.3 CCC(N)CC SBB000050 [0,1,0,0,0,0|1,0,0]=2 64 B5R0.3 CCC(N)CC SBB071911 [0,1,0,0,0,0|1,0,0]=2 65 B5R0.3 CC\C(N)=N\O SBB024198 [0,1,0,0,0,0|3,0,0]=4 66 B5R0.3 CNC(=O)CBr SBB080576 [0,1,0,0,0,0|3,0,0]=4 67 B5R0.3 CNC(=O)CCl SBB049936 [0,1,0,0,0,0|3,0,0]=4 68 B5R0.3 CNC(=S)NC SBB060411 [0,1,0,0,0,0|3,0,0]=4 69 B5R0.3 COC(=O)CBr SBB056823 [0,1,0,0,0,0|3,0,0]=4 70 B5R0.3 COC(=O)CCl SBB040686 [0,1,0,0,0,0|3,0,0]=4 71 B5R0.3 ClCC(Cl)CCl SBB060982 [0,1,0,0,0,0|3,0,0]=4 72 B5R0.3 OC(CCl)CCl SBB060190 [0,1,0,0,0,0|3,0,0]=4 73 B5R0.3 OCC(O)CCl SBB060480 [0,1,0,0,0,0|3,0,0]=4 74 B5R0.3 P(=O)(OC)OC SBB060964 [0,1,0,0,0,0|3,0,0]=4 75 B5R1.1 C1CSCN1 SBB111928 [0,0,0,1,0,0|1,0,0]=2 76 B5R1.2 OC1CNC1 SBB056270 [0,0,0,1,0,0|3,0,0]=4 77 B5R1.3 BrCC1CC1 SBB054967 [0,0,0,1,0,0|2,0,0]=3 78 B5R1.3 NCC1CC1 SBB047771 [0,0,0,1,0,0|2,0,0]=3 79 B5R1.3 OCC1CC1 SBB059473 [0,0,0,1,0,0|2,0,0]=3 80 B2R0.1 CCBr SBB040912 [2,0,0,0,0,0|1,0,0]=3 81 B2R0.1 ONC SBB005850 [2,0,0,0,0,0|1,1,0]=4 82 B4R0.1 CC(Br)CBr SBB060202 [1,1,0,0,0,0|1,0,0]=3 83 B4R0.1 CC(Br)CCl SBB061477 [1,1,0,0,0,0|1,0,0]=3 84 B4R0.1 CC(C)CBr SBB059932 [1,1,0,0,0,0|1,0,0]=3 85 B4R0.1 CC(C)NN SBB002129 [1,1,0,0,0,0|2,0,0]=4 86 B4R0.1 CC(Cl)CCl SBB059979 [1,1,0,0,0,0|1,0,0]=3 87 B4R0.1 CCC(C)Br SBB059931 [1,1,0,0,0,0|0,0,0]=2 88 B4R0.1 CCN(C)N SBB107453 [1,1,0,0,0,0|1,0,0]=3 89 B4R0.1 CSC(=N)N SBB080624 [1,1,0,0,0,0|1,0,1]=4 90 B4R0.1 CSC(=N)N SBB095512 [1,1,0,0,0,0|1,0,1]=4 91 B4R0.1 ClC(Br)CBr SBB059976 [1,1,0,0,0,0|2,0,0]=4 92 B4R0.1 NCC(F)F SBB009831 [1,1,0,0,0,0|2,0,0]=4 93 B4R0.1 OCC(F)F SBB021966 [1,1,0,0,0,0|2,0,0]=4 94 B4R0.1 [NH2+]=C(N)SC SBB060409 [1,1,0,0,0,0|1,0,1]=4 95 B6R0.1 C#CC(O)CCC SBB067434 [0,2,0,0,0,0|1,0,1]=4 96 B6R0.1 CCC(O)COC SBB072708 [0,2,0,0,0,0|1,0,0]=3 97 B6R0.1 CCCC(=O)CC SBB061496 [0,2,0,0,0,0|1,0,0]=3 98 B6R0.1 CCCC(=O)OC SBB061104 [0,2,0,0,0,0|1,0,1]=4 99 B6R0.1 CCCC(C)CO SBB061282 [0,2,0,0,0,0|1,0,0]=3 100 B6R0.1 CCCC(O)CC SBB061363 [0,2,0,0,0,0|1,0,0]=3 101 B6R0.1 CCNC(=O)CBr SBB051008 [0,2,0,0,0,0|1,0,1]=4 102 B6R0.1 CCNC(=O)CCl SBB008200 [0,2,0,0,0,0|1,0,1]=4 103 B6R0.1 CCNC(C)CO SBB046531 [0,2,0,0,0,0|1,0,0]=3 104 B6R0.1 CCOC(=O)CBr SBB060995 [0,2,0,0,0,0|0,1,1]=4 105 B6R0.1 CCOC(=O)CC SBB060312 [0,2,0,0,0,0|0,1,0]=3 106 B6R0.1 CNC(C)CCO SBB046542 [0,2,0,0,0,0|2,0,0]=4 107 B6R0.1 CNCC(C)OC SBB049894 [0,2,0,0,0,0|2,0,0]=4 108 B6R0.1 COC(=O)CCBr SBB070709 [0,2,0,0,0,0|2,0,0]=4 109 B6R0.1 COC(=O)CCN SBB071679 [0,2,0,0,0,0|2,0,0]=4 110 B6R0.1 COCC(O)CN SBB051203 [0,2,0,0,0,0|2,0,0]=4 111 B6R0.1 OC(CBr)CCBr SBB007842 [0,2,0,0,0,0|2,0,0]=4 112 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [0,2,0,0,0,0|0,1,1]=4 113 B6R0.2 CC(=O)CC(C)C SBB060384 [0,2,0,0,0,0|1,0,1]=4 114 B6R0.2 CC(C)CC(C)Br SBB007950 [0,2,0,0,0,0|1,0,0]=3 115 B6R0.2 CC(C)CC(C)O SBB061337 [0,2,0,0,0,0|1,0,0]=3 116 B6R0.2 CC(C)NC(C)C SBB059763 [0,2,0,0,0,0|1,0,0]=3 117 B6R0.2 CC(O)CN(C)C SBB060002 [0,2,0,0,0,0|2,0,0]=4 118 B6R0.3 CCC(=O)C(C)=O SBB061626 [0,2,0,0,0,0|1,0,1]=4 119 B6R0.3 CCC(C)C(C)C SBB061452 [0,2,0,0,0,0|1,0,0]=3 120 B6R0.3 COC(=O)C(C)C SBB061111 [0,2,0,0,0,0|2,0,0]=4 121 B6R0.3 COC(=O)C(C)N SBB007634 [0,2,0,0,0,0|2,0,0]=4 122 B6R0.4 CC(=O)NCCCl SBB008165 [0,2,0,0,0,0|1,0,1]=4 123 B6R0.4 CC(=O)NCCN SBB028176 [0,2,0,0,0,0|1,0,1]=4 124 B6R0.4 CC(=O)NCCO SBB007954 [0,2,0,0,0,0|1,0,1]=4 125 B6R0.4 CC(=O)OCCCl SBB058505 [0,2,0,0,0,0|0,1,1]=4 126 B6R0.4 CC(C)NCCN SBB048119 [0,2,0,0,0,0|1,0,0]=3 127 B6R0.4 CC(C)NCCO SBB056428 [0,2,0,0,0,0|1,0,0]=3 128 B6R0.4 CC(C)OCCN SBB301616 [0,2,0,0,0,0|0,1,0]=3 129 B6R0.4 CCC#CC(C)=O SBB009086 [0,2,0,0,0,0|1,0,1]=4 130 B6R0.4 CCC#CC(C)O SBB067141 [0,2,0,0,0,0|1,0,0]=3 131 B6R0.4 CCCCC(=O)O SBB053585 [0,2,0,0,0,0|1,0,1]=4 132 B6R0.4 CCCCC(C)=O SBB061262 [0,2,0,0,0,0|1,0,0]=3 133 B6R0.4 CCCCC(C)O SBB061290 [0,2,0,0,0,0|1,0,0]=3 134 B6R0.4 CCCCC(N)=O SBB028169 [0,2,0,0,0,0|1,0,1]=4 135 B6R0.4 CCCCN(C)C SBB060243 [0,2,0,0,0,0|1,0,0]=3 136 B6R0.4 CCCOC(C)=O SBB060305 [0,2,0,0,0,0|0,1,1]=4 137 B6R0.4 CCOCC(=O)O SBB069120 [0,2,0,0,0,0|0,1,1]=4 138 B6R0.4 CCOCC(C)O SBB061006 [0,2,0,0,0,0|0,1,0]=3 139 B6R0.4 CCSCC(=O)O SBB047288 [0,2,0,0,0,0|0,0,1]=3 140 B6R0.4 CN(C)CCCN SBB028177 [0,2,0,0,0,0|2,0,0]=4 141 B6R0.5 CC#CC(C)(C)O SBB009136 [0,2,0,0,0,0|1,0,1]=4 142 B6R0.5 CC(C)(C)CCCl SBB059953 [0,2,0,0,0,0|2,0,0]=4 143 B6R0.5 CC(C)(C)CCN SBB059532 [0,2,0,0,0,0|2,0,0]=4 144 B6R0.5 CCCC(C)(C)N SBB052122 [0,2,0,0,0,0|1,0,0]=3 145 B6R0.5 CCNC(C)(C)C SBB052124 [0,2,0,0,0,0|1,0,0]=3 146 B6R0.5 CCOS(C)(=O)=O SBB058685 [0,2,0,0,0,0|1,1,0]=4 147 B6R0.6 BrCCOCCBr SBB054744 [0,2,0,0,0,0|0,1,0]=3 148 B6R0.6 C#CCCCCC SBB067441 [0,2,0,0,0,0|1,0,0]=3 149 B6R0.6 C#CCCCCO SBB015110 [0,2,0,0,0,0|1,0,1]=4 150 B6R0.6 C#CCOCCO SBB067658 [0,2,0,0,0,0|0,1,1]=4 151 B6R0.6 C=CCCCCBr SBB054740 [0,2,0,0,0,0|1,0,1]=4 152 B6R0.6 C=CCCCCC SBB059882 [0,2,0,0,0,0|1,0,0]=3 153 B6R0.6 C=CCOCCO SBB060194 [0,2,0,0,0,0|0,1,1]=4 154 B6R0.6 C=CCSCC=C SBB060116 [0,2,0,0,0,0|0,0,2]=4 155 B6R0.6 CCCCCC#N SBB060051 [0,2,0,0,0,0|1,0,0]=3 156 B6R0.6 CCCCCCBr SBB059934 [0,2,0,0,0,0|1,0,0]=3 157 B6R0.6 CCCCCCCl SBB059952 [0,2,0,0,0,0|1,0,0]=3 158 B6R0.6 CCCCCCN SBB059984 [0,2,0,0,0,0|1,0,0]=3 159 B6R0.6 CCCCCCO SBB059899 [0,2,0,0,0,0|1,0,0]=3 160 B6R0.6 CCCCCOC SBB061300 [0,2,0,0,0,0|1,0,0]=3 161 B6R0.6 CCCCN=C=S SBB060985 [0,2,0,0,0,0|1,0,1]=4 162 B6R0.6 CCCCNC=O SBB060026 [0,2,0,0,0,0|1,0,1]=4 163 B6R0.6 CCCCOC=O SBB060300 [0,2,0,0,0,0|1,0,1]=4 164 B6R0.6 CCCCSC#N SBB056760 [0,2,0,0,0,0|1,0,1]=4 165 B6R0.6 CCCCSCC SBB061178 [0,2,0,0,0,0|0,0,0]=2 166 B6R0.6 CCCNCCC SBB059762 [0,2,0,0,0,0|1,0,0]=3 167 B6R0.6 CCCOCCO SBB061379 [0,2,0,0,0,0|0,1,0]=3 168 B6R0.6 CCCSCCC SBB061017 [0,2,0,0,0,0|0,0,0]=2 169 B6R0.6 CCCSCCO SBB058605 [0,2,0,0,0,0|0,0,0]=2 170 B6R0.6 CCNCCC#N SBB006528 [0,2,0,0,0,0|1,0,0]=3 171 B6R0.6 CCOCCC#N SBB067181 [0,2,0,0,0,0|0,1,0]=3 172 B6R0.6 CCOCCCN SBB028180 [0,2,0,0,0,0|0,1,0]=3 173 B6R0.6 CC\C=C/CCO SBB007739 [0,2,0,0,0,0|1,0,0]=3 174 B6R0.6 ClCCOCCCl SBB059969 [0,2,0,0,0,0|0,1,0]=3 175 B6R0.6 N#CCCCCCl SBB061418 [0,2,0,0,0,0|1,0,1]=4 176 B6R0.6 NCCCCCN SBB079706 [0,2,0,0,0,0|1,0,0]=3 177 B6R0.6 NCCNCCN SBB059776 [0,2,0,0,0,0|1,0,0]=3 178 B6R0.6 NCCNCCO SBB028183 [0,2,0,0,0,0|1,0,0]=3 179 B6R0.6 NCCOCCO SBB060906 [0,2,0,0,0,0|0,1,0]=3 180 B6R0.6 NCCSCCO SBB056468 [0,2,0,0,0,0|0,0,0]=2 181 B6R0.6 OCCNCCO SBB059779 [0,2,0,0,0,0|1,0,0]=3 182 B6R0.6 OCCOCCCl SBB060189 [0,2,0,0,0,0|0,1,0]=3 183 B6R0.6 OCCSCCO SBB060117 [0,2,0,0,0,0|0,0,0]=2 184 B6R0.6 SCCOCCS SBB058846 [0,2,0,0,0,0|0,1,0]=3 185 B6R0.8 CCC(C)(O)CC SBB060948 [0,2,0,0,0,0|1,0,0]=3 186 B6R0.9 CC=C(CC)CC SBB059883 [0,2,0,0,0,0|1,0,0]=3 187 B6R0.9 CCC(C=O)CC SBB059875 [0,2,0,0,0,0|1,0,0]=3 188 B6R0.9 CCC(CC)CBr SBB059935 [0,2,0,0,0,0|1,0,0]=3 189 B6R0.9 CCC(CC)CN SBB028171 [0,2,0,0,0,0|1,0,0]=3 190 B6R0.9 CCC(CC)CO SBB059900 [0,2,0,0,0,0|1,0,0]=3 191 B6R0.9 CCC(CN)OC SBB302370 [0,2,0,0,0,0|2,0,0]=4 192 B6R0.9 CCN(C#N)CC SBB060416 [0,2,0,0,0,0|1,0,0]=3 193 B6R0.9 CCN(C=O)CC SBB056822 [0,2,0,0,0,0|1,0,0]=3 194 B6R0.9 CCN(CC)CC SBB040898 [0,2,0,0,0,0|1,0,0]=3 195 B6R0.9 CCN(CC)CC SBB087540 [0,2,0,0,0,0|1,0,0]=3 196 B6R1.2 BrC1CCCC1 SBB040823 [0,1,0,1,0,0|1,0,0]=3 197 B6R1.2 CC1=NCCN1 SBB040067 [0,1,0,1,0,0|1,0,1]=4 198 B6R1.2 F[C@H]1CCNC1 SBB085616 [0,1,0,1,0,0|1,0,0]=3 199 B6R1.2 N1CCC(N)C1 SBB027337 [0,1,0,1,0,0|1,0,0]=3 200 B6R1.2 NC1=NCCS1 SBB004361 [0,1,0,1,0,0|1,0,1]=4 201 B6R1.2 NC1CCCC1 SBB040467 [0,1,0,1,0,0|1,0,0]=3 202 B6R1.2 NC1CCNC1 SBB003982 [0,1,0,1,0,0|1,0,0]=3 203 B6R1.2 NN1CCCC1 SBB066760 [0,1,0,1,0,0|1,0,0]=3 204 B6R1.2 O=C1CCCC1 SBB040835 [0,1,0,1,0,0|1,0,0]=3 205 B6R1.2 O=C1CCCN1 SBB060296 [0,1,0,1,0,0|1,0,1]=4 206 B6R1.2 O=C1CCSC1 SBB007947 [0,1,0,1,0,0|0,0,1]=3 207 B6R1.2 OC1CCNC1 SBB056152 [0,1,0,1,0,0|1,0,0]=3 208 B6R1.2 O[C@H]1CCNC1 SBB004272 [0,1,0,1,0,0|1,0,0]=3 209 B6R1.2 O[C@H]1CCNC1 SBB027336 [0,1,0,1,0,0|1,0,0]=3 210 B6R1.2 O[C@H]1CCOC1 SBB062959 [0,1,0,1,0,0|0,1,0]=3 211 B6R1.2 SC1=NCCS1 SBB004290 [0,1,0,1,0,0|1,0,1]=4 212 B6R1.10 CC1(N)CCC1 SBB072407 [0,1,0,1,0,0|1,0,0]=3 213 B6R1.11 CC(=O)C1CC1 SBB040825 [0,1,0,1,0,0|1,0,1]=4 214 B6R1.11 CC(N)C1CC1 SBB027096 [0,1,0,1,0,0|1,0,0]=3 215 B6R1.1 C1=COCCC1 SBB060381 [0,1,0,1,0,0|0,1,1]=4 216 B6R1.1 C1CSCCN1 SBB056209 [0,1,0,1,0,0|0,0,0]=2 217 B6R1.1 C1CSCCO1 SBB060674 [0,1,0,1,0,0|0,0,0]=2 218 B6R1.1 C1CSCSC1 SBB061220 [0,1,0,1,0,0|0,0,0]=2 219 B6R1.1 C1OCOCO1 SBB060143 [0,1,0,1,0,0|1,1,0]=4 220 B6R1.1 C1SCSCS1 SBB056869 [0,1,0,1,0,0|1,0,0]=3 221 B6R1.6 BrCC1CCC1 SBB054975 [0,1,0,1,0,0|1,0,0]=3 222 B6R1.6 NCC1CCC1 SBB108847 [0,1,0,1,0,0|1,0,0]=3 223 B6R1.7 CC1(CO)CC1 SBB084505 [0,1,0,1,0,0|2,0,0]=4