0 B5R0.2 BrCCCCBr SBB060204 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.2 BrC\C=C\CBr SBB059946 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.2 C=COCCCl SBB061485 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.2 C=COCCN SBB072719 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.2 CC#CCCO SBB009118 [0,0,0,0,0,0|0,0,2]=2 5 B5R0.2 CCC#CCO SBB009120 [0,0,0,0,0,0|0,0,2]=2 6 B5R0.2 CCCCCBr SBB059933 [0,0,0,0,0,0|1,0,0]=1 7 B5R0.2 CCCCCCl SBB059951 [0,0,0,0,0,0|1,0,0]=1 8 B5R0.2 CCCN=C=S SBB060984 [0,0,0,0,0,0|1,1,1]=3 9 B5R0.2 CCNNCC SBB069584 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.2 CCOCCBr SBB008332 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.2 CCOCCCl SBB061015 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.2 CCOCCN SBB072161 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.2 CCSCCN SBB017894 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.2 CNCCCN SBB059823 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.2 CSCCCO SBB056451 [0,0,0,0,0,0|1,0,0]=1 16 B5R0.2 ClC\C=C\CCl SBB060216 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.2 FCCCCBr SBB087044 [0,0,0,0,0,0|2,0,0]=2 18 B5R0.2 N#CCCCBr SBB054746 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.2 N#CCCCCl SBB061739 [0,0,0,0,0,0|2,0,1]=3 20 B5R0.2 NCCCCN SBB059998 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.2 O=C=NCCCl SBB054898 [0,0,0,0,0,0|2,0,2]=4 22 B5R0.2 OCCCCCl SBB002444 [0,0,0,0,0,0|1,0,0]=1 23 B4R0.2 BrCCCBr SBB060203 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.2 CCCCBr SBB059930 [1,0,0,0,0,0|1,0,0]=2 25 B4R0.2 CNCC#N SBB071612 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.2 CNCCI SBB071605 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.2 COCCBr SBB007906 [1,0,0,0,0,0|2,0,0]=3 28 B4R0.2 C\C=C\CC SBB059879 [1,0,0,0,0,0|0,0,2]=3 29 B4R0.2 ClCCCBr SBB058669 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.2 ClCCCCl SBB040918 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.2 OCCCBr SBB054750 [1,0,0,0,0,0|1,0,0]=2 32 B4R0.2 [NH2+](CC)CC SBB059849 [1,0,0,0,0,0|1,0,0]=2 33 B6R0.1 C#CC(O)CCC SBB067434 [0,1,0,0,0,0|1,0,1]=3 34 B6R0.1 CCC(C)N=C=S SBB021425 [0,1,0,0,0,0|1,1,1]=4 35 B6R0.1 CCC(O)COC SBB072708 [0,1,0,0,0,0|2,0,0]=3 36 B6R0.1 CCCC(=O)CC SBB061496 [0,1,0,0,0,0|1,0,1]=3 37 B6R0.1 CCCC(=O)NN SBB028175 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.1 CCCC(=O)OC SBB061104 [0,1,0,0,0,0|2,0,1]=4 39 B6R0.1 CCCC(C)CO SBB061282 [0,1,0,0,0,0|0,0,0]=1 40 B6R0.1 CCCC(O)CC SBB061363 [0,1,0,0,0,0|1,0,0]=2 41 B6R0.1 CCC\C(N)=N/O SBB028173 [0,1,0,0,0,0|1,0,1]=3 42 B6R0.1 CCNC(=O)CBr SBB051008 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.1 CCNC(=O)CCl SBB008200 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.1 CCNC(C)CO SBB046531 [0,1,0,0,0,0|1,0,0]=2 45 B6R0.1 CCOC(=O)CBr SBB060995 [0,1,0,0,0,0|2,0,1]=4 46 B6R0.1 CCOC(=O)CC SBB060312 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.1 CNC(C)CCO SBB046542 [0,1,0,0,0,0|1,0,0]=2 48 B6R0.1 CNCC(C)OC SBB049894 [0,1,0,0,0,0|3,0,0]=4 49 B6R0.1 COC(=O)CCBr SBB070709 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.1 COC(=O)CCN SBB071679 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.1 COCC(O)CN SBB051203 [0,1,0,0,0,0|2,0,0]=3 52 B6R0.1 OC(CBr)CCBr SBB007842 [0,1,0,0,0,0|2,0,0]=3 53 B6R0.1 OCNC(=O)CCl SBB004273 [0,1,0,0,0,0|2,0,1]=4 54 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.4 C#CCCC(=O)O SBB009121 [0,1,0,0,0,0|0,0,3]=4 56 B6R0.4 C=CCCC(=O)O SBB061214 [0,1,0,0,0,0|0,0,3]=4 57 B6R0.4 C=CCCC(C)=O SBB009089 [0,1,0,0,0,0|1,0,2]=4 58 B6R0.4 C=COCC(C)C SBB060157 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.4 CC(=O)NCCCl SBB008165 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.4 CC(=O)NCCN SBB028176 [0,1,0,0,0,0|2,0,1]=4 61 B6R0.4 CC(=O)NCCO SBB007954 [0,1,0,0,0,0|1,0,1]=3 62 B6R0.4 CC(=O)OCCCl SBB058505 [0,1,0,0,0,0|2,0,1]=4 63 B6R0.4 CC(C)CN=C=S SBB017613 [0,1,0,0,0,0|1,1,1]=4 64 B6R0.4 CC(C)COC=O SBB061244 [0,1,0,0,0,0|1,0,2]=4 65 B6R0.4 CC(C)NCCN SBB048119 [0,1,0,0,0,0|2,0,0]=3 66 B6R0.4 CC(C)NCCO SBB056428 [0,1,0,0,0,0|1,0,0]=2 67 B6R0.4 CC(C)OCCN SBB301616 [0,1,0,0,0,0|2,0,0]=3 68 B6R0.4 CCC#CC(C)O SBB067141 [0,1,0,0,0,0|0,0,2]=3 69 B6R0.4 CCCCC(=O)O SBB053585 [0,1,0,0,0,0|0,0,1]=2 70 B6R0.4 CCCCC(C)=O SBB061262 [0,1,0,0,0,0|0,0,2]=3 71 B6R0.4 CCCCC(C)O SBB061290 [0,1,0,0,0,0|0,0,0]=1 72 B6R0.4 CCCCC(N)=O SBB028169 [0,1,0,0,0,0|0,0,2]=3 73 B6R0.4 CCCCN(C)C SBB060243 [0,1,0,0,0,0|2,0,0]=3 74 B6R0.4 CCCNC(N)=O SBB028174 [0,1,0,0,0,0|1,0,2]=4 75 B6R0.4 CCCOC(C)=O SBB060305 [0,1,0,0,0,0|1,0,2]=4 76 B6R0.4 CCCOC(N)=O SBB000036 [0,1,0,0,0,0|1,0,2]=4 77 B6R0.4 CCOCC(=O)O SBB069120 [0,1,0,0,0,0|1,0,1]=3 78 B6R0.4 CCOCC(C)O SBB061006 [0,1,0,0,0,0|1,0,0]=2 79 B6R0.4 CCSCC(=O)O SBB047288 [0,1,0,0,0,0|1,0,1]=3 80 B6R0.4 CC\C=C\C(=O)O SBB061994 [0,1,0,0,0,0|0,0,3]=4 81 B6R0.4 CN(C)CCC#N SBB068380 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.4 CN(C)CCCN SBB028177 [0,1,0,0,0,0|2,0,0]=3 83 B6R0.4 CNCCC(N)=O SBB080375 [0,1,0,0,0,0|1,0,2]=4 84 B6R0.4 NCCCC(=O)O SBB028179 [0,1,0,0,0,0|1,0,1]=3 85 B6R0.4 O=C(Cl)CCCCl SBB060894 [0,1,0,0,0,0|1,0,2]=4 86 B6R0.4 O=C(O)CCCBr SBB065986 [0,1,0,0,0,0|1,0,1]=3 87 B6R0.6 BrCCOCCBr SBB054744 [0,1,0,0,0,0|2,0,0]=3 88 B6R0.6 C#CCCCC#C SBB008772 [0,1,0,0,0,0|1,0,2]=4 89 B6R0.6 C#CCCCCC SBB067441 [0,1,0,0,0,0|1,0,0]=2 90 B6R0.6 C#CCCCCO SBB015110 [0,1,0,0,0,0|0,0,1]=2 91 B6R0.6 C#CCOCCO SBB067658 [0,1,0,0,0,0|0,0,2]=3 92 B6R0.6 C=CCCCCBr SBB054740 [0,1,0,0,0,0|1,0,1]=3 93 B6R0.6 C=CCCCCC SBB059882 [0,1,0,0,0,0|1,0,0]=2 94 B6R0.6 C=CCOCCO SBB060194 [0,1,0,0,0,0|0,0,2]=3 95 B6R0.6 CCCCCC#N SBB060051 [0,1,0,0,0,0|1,0,0]=2 96 B6R0.6 CCCCCCBr SBB059934 [0,1,0,0,0,0|1,0,0]=2 97 B6R0.6 CCCCCCCl SBB059952 [0,1,0,0,0,0|1,0,0]=2 98 B6R0.6 CCCCCCN SBB059984 [0,1,0,0,0,0|1,0,0]=2 99 B6R0.6 CCCCCCO SBB059899 [0,1,0,0,0,0|0,0,0]=1 100 B6R0.6 CCCCCOC SBB061300 [0,1,0,0,0,0|0,0,0]=1 101 B6R0.6 CCCCN=C=S SBB060985 [0,1,0,0,0,0|0,1,1]=3 102 B6R0.6 CCCCNC=O SBB060026 [0,1,0,0,0,0|0,0,2]=3 103 B6R0.6 CCCCOC=O SBB060300 [0,1,0,0,0,0|0,0,2]=3 104 B6R0.6 CCCCSC#N SBB056760 [0,1,0,0,0,0|1,0,1]=3 105 B6R0.6 CCCCSCC SBB061178 [0,1,0,0,0,0|1,0,0]=2 106 B6R0.6 CCCNCCC SBB059762 [0,1,0,0,0,0|1,0,0]=2 107 B6R0.6 CCCOCCO SBB061379 [0,1,0,0,0,0|0,0,0]=1 108 B6R0.6 CCCSCCC SBB061017 [0,1,0,0,0,0|1,0,0]=2 109 B6R0.6 CCCSCCO SBB058605 [0,1,0,0,0,0|0,0,0]=1 110 B6R0.6 CCC\C=C\C=O SBB067097 [0,1,0,0,0,0|0,0,3]=4 111 B6R0.6 CCNCCC#N SBB006528 [0,1,0,0,0,0|1,0,1]=3 112 B6R0.6 CCOCCC#N SBB067181 [0,1,0,0,0,0|1,0,1]=3 113 B6R0.6 CCOCCCN SBB028180 [0,1,0,0,0,0|1,0,0]=2 114 B6R0.6 CC\C=C/CCO SBB007739 [0,1,0,0,0,0|0,0,1]=2 115 B6R0.6 COCCN=C=S SBB013663 [0,1,0,0,0,0|1,1,1]=4 116 B6R0.6 ClCCOCCCl SBB059969 [0,1,0,0,0,0|2,0,0]=3 117 B6R0.6 N#CCCCC#N SBB068303 [0,1,0,0,0,0|1,0,2]=4 118 B6R0.6 N#CCCCCCl SBB061418 [0,1,0,0,0,0|1,0,1]=3 119 B6R0.6 NCCCCCN SBB079706 [0,1,0,0,0,0|1,0,0]=2 120 B6R0.6 NCCNCCN SBB059776 [0,1,0,0,0,0|2,0,0]=3 121 B6R0.6 NCCNCCO SBB028183 [0,1,0,0,0,0|1,0,0]=2 122 B6R0.6 NCCOCCO SBB060906 [0,1,0,0,0,0|1,0,0]=2 123 B6R0.6 NCCSCCO SBB056468 [0,1,0,0,0,0|1,0,0]=2 124 B6R0.6 O=C=NCCCCl SBB068362 [0,1,0,0,0,0|1,0,2]=4 125 B6R0.6 OCCNCCO SBB059779 [0,1,0,0,0,0|1,0,0]=2 126 B6R0.6 OCCOCCCl SBB060189 [0,1,0,0,0,0|1,0,0]=2 127 B6R0.6 OCCSCCO SBB060117 [0,1,0,0,0,0|1,0,0]=2 128 B6R0.6 SCCOCCS SBB058846 [0,1,0,0,0,0|1,1,0]=3 129 B6R1.1 C1=COCCC1 SBB060381 [0,0,0,1,0,0|0,0,2]=3 130 B6R1.1 C1CSCCN1 SBB056209 [0,0,0,1,0,0|1,1,0]=3 131 B6R1.1 C1CSCCO1 SBB060674 [0,0,0,1,0,0|1,0,0]=2 132 B6R1.1 C1CSCSC1 SBB061220 [0,0,0,1,0,0|1,1,0]=3 133 B6R1.1 C1OCOCO1 SBB060143 [0,0,0,1,0,0|2,0,0]=3 134 B6R1.1 C1SCSCS1 SBB056869 [0,0,0,1,0,0|2,1,0]=4 135 B6R1.2 BrC1CCCC1 SBB040823 [0,0,0,1,0,0|1,0,0]=2 136 B6R1.2 CC1=NCCN1 SBB040067 [0,0,0,1,0,0|2,0,1]=4 137 B6R1.2 F[C@H]1CCNC1 SBB085616 [0,0,0,1,0,0|2,0,0]=3 138 B6R1.2 N1CCC(N)C1 SBB027337 [0,0,0,1,0,0|2,0,0]=3 139 B6R1.2 NC1CCCC1 SBB040467 [0,0,0,1,0,0|1,0,0]=2 140 B6R1.2 NC1CCNC1 SBB003982 [0,0,0,1,0,0|2,0,0]=3 141 B6R1.2 NN1CCCC1 SBB066760 [0,0,0,1,0,0|2,0,0]=3 142 B6R1.2 O=C1CCCC1 SBB040835 [0,0,0,1,0,0|0,0,2]=3 143 B6R1.2 O=C1CCCN1 SBB060296 [0,0,0,1,0,0|1,0,2]=4 144 B6R1.2 O=C1CCSC1 SBB007947 [0,0,0,1,0,0|1,0,2]=4 145 B6R1.2 OC1=NNCC1 SBB047550 [0,0,0,1,0,0|2,0,1]=4 146 B6R1.2 OC1CCNC1 SBB056152 [0,0,0,1,0,0|1,0,0]=2 147 B6R1.2 O[C@H]1CCNC1 SBB004272 [0,0,0,1,0,0|1,0,0]=2 148 B6R1.2 O[C@H]1CCNC1 SBB027336 [0,0,0,1,0,0|1,0,0]=2 149 B6R1.2 O[C@H]1CCOC1 SBB062959 [0,0,0,1,0,0|1,0,0]=2 150 B6R1.3 S=C=NC1CC1 SBB017403 [0,0,0,1,0,0|1,1,1]=4 151 B6R1.6 BrCC1CCC1 SBB054975 [0,0,0,1,0,0|1,0,0]=2 152 B6R1.6 NCC1CCC1 SBB108847 [0,0,0,1,0,0|1,0,0]=2 153 B3R0.1 BrCCBr SBB040806 [2,0,0,0,0,0|2,0,0]=4 154 B3R0.1 CCCBr SBB040931 [2,0,0,0,0,0|1,0,0]=3 155 B3R0.1 ClCCCl SBB040805 [2,0,0,0,0,0|2,0,0]=4 156 B3R0.1 NCCBr SBB005857 [2,0,0,0,0,0|2,0,0]=4 157 B3R0.1 NCCCl SBB005775 [2,0,0,0,0,0|2,0,0]=4 158 B3R0.1 OCCBr SBB058668 [2,0,0,0,0,0|1,0,0]=3 159 B3R0.1 [NH3+]CCBr SBB060242 [2,0,0,0,0,0|2,0,0]=4 160 B5R0.1 CC(C)CCBr SBB061181 [1,1,0,0,0,0|1,0,0]=3 161 B5R0.1 CC(C)CCO SBB060162 [1,1,0,0,0,0|0,0,0]=2 162 B5R0.1 CC(C)CNN SBB042741 [1,1,0,0,0,0|2,0,0]=4 163 B5R0.1 CCCC(=O)Cl SBB040624 [1,1,0,0,0,0|0,0,2]=4 164 B5R0.1 CN(C)CCBr SBB073020 [1,1,0,0,0,0|2,0,0]=4 165 B5R0.1 CN(C)CCN SBB007533 [1,1,0,0,0,0|2,0,0]=4 166 B5R0.1 COCC(=O)O SBB061376 [1,1,0,0,0,0|1,0,1]=4 167 B5R0.1 CS(=O)CCN SBB050811 [1,1,0,0,0,0|2,0,0]=4 168 B5R0.1 CSCC(=O)O SBB053570 [1,1,0,0,0,0|1,0,1]=4 169 B5R0.1 O=C(O)CCBr SBB065770 [1,1,0,0,0,0|1,0,1]=4 170 B5R0.1 O=C(O)CCCl SBB069140 [1,1,0,0,0,0|1,0,1]=4 171 B5R0.1 [NH+](C)(C)CCCl SBB057087 [1,1,0,0,0,0|2,0,0]=4 172 B5R0.3 CCC(C)CBr SBB007669 [1,1,0,0,0,0|1,0,0]=3 173 B5R0.3 CCC(Cl)CCl SBB060453 [1,1,0,0,0,0|1,0,0]=3 174 B5R0.3 CCC(N)CC SBB000050 [1,1,0,0,0,0|0,0,0]=2 175 B5R0.3 CCC(N)CC SBB071911 [1,1,0,0,0,0|0,0,0]=2 176 B5R0.3 CC\C(N)=N\O SBB024198 [1,1,0,0,0,0|1,0,1]=4 177 B5R0.3 ClCC(Cl)CCl SBB060982 [1,1,0,0,0,0|2,0,0]=4 178 B5R0.3 OC(CCl)CCl SBB060190 [1,1,0,0,0,0|2,0,0]=4 179 B5R0.3 OCC(O)CCl SBB060480 [1,1,0,0,0,0|1,0,0]=3 180 B7R0.2 CC(CO)CN(C)C SBB046544 [0,2,0,0,0,0|1,0,0]=3 181 B7R0.2 CCC(C)CC(=O)O SBB008180 [0,2,0,0,0,0|0,0,1]=3 182 B7R0.2 CCC(O)CN(C)C SBB061151 [0,2,0,0,0,0|2,0,0]=4 183 B7R0.2 NC[C@@H](O)CC(=O)O SBB065945 [0,2,0,0,0,0|1,0,1]=4 184 B7R0.3 C=C(CC)CCCC SBB060475 [0,2,0,0,0,0|1,0,0]=3 185 B7R0.3 C=CC(O)CCCC SBB008778 [0,2,0,0,0,0|0,0,0]=2 186 B7R0.3 CC(CN)CCCN SBB058625 [0,2,0,0,0,0|1,0,0]=3 187 B7R0.3 CCC(=O)OCCCl SBB060315 [0,2,0,0,0,0|1,0,1]=4 188 B7R0.3 CCC(C)CN=C=S SBB085743 [0,2,0,0,0,0|0,1,1]=4 189 B7R0.3 CCCCC(=O)NN SBB028196 [0,2,0,0,0,0|0,0,2]=4 190 B7R0.3 CCCCC(Cl)CCl SBB060394 [0,2,0,0,0,0|1,0,0]=3 191 B7R0.3 CCCNC(=O)CCl SBB016586 [0,2,0,0,0,0|1,0,1]=4 192 B7R0.3 CCCOC(=O)CCl SBB060962 [0,2,0,0,0,0|1,0,1]=4 193 B7R0.3 CCCOC(=O)CS SBB061003 [0,2,0,0,0,0|0,1,1]=4 194 B7R0.3 CCN(C)CCCO SBB046555 [0,2,0,0,0,0|0,0,0]=2 195 B7R0.3 CCNCC(O)CC SBB072921 [0,2,0,0,0,0|1,0,0]=3 196 B7R0.3 CCOCC(O)CN SBB017905 [0,2,0,0,0,0|1,0,0]=3 197 B7R0.3 COC(=N)CCCCl SBB056505 [0,2,0,0,0,0|1,0,1]=4 198 B7R0.3 NNC(=O)CCCO SBB028199 [0,2,0,0,0,0|1,0,1]=4 199 B7R0.3 OC[C@H](CCSC)N SBB006701 [0,2,0,0,0,0|0,0,0]=2 200 B7R0.5 CC(CCN)N(C)C SBB046536 [0,2,0,0,0,0|2,0,0]=4 201 B7R0.5 CC(CCO)N(C)C SBB046554 [0,2,0,0,0,0|1,0,0]=3 202 B7R0.5 CCCC(Br)C(=O)O SBB065976 [0,2,0,0,0,0|0,0,1]=3 203 B7R0.5 CCCC(C)C(=O)O SBB065915 [0,2,0,0,0,0|0,0,1]=3 204 B7R0.5 CCCC(C)C(C)O SBB061491 [0,2,0,0,0,0|0,0,0]=2 205 B7R0.5 CCC[C@@H](N)C(=O)O SBB065919 [0,2,0,0,0,0|0,0,1]=3 206 B7R0.5 CSC[C@H](N)C(=O)O SBB066379 [0,2,0,0,0,0|1,0,1]=4 207 B7R0.5 NC(CCO)C(=O)O SBB065734 [0,2,0,0,0,0|1,0,1]=4 208 B7R0.5 NC(CCS)C(=O)O SBB065757 [0,2,0,0,0,0|1,0,1]=4 209 B7R0.5 NCCC(N)C(=O)O SBB053580 [0,2,0,0,0,0|1,0,1]=4 210 B7R0.5 NCCC(N)C(=O)O SBB066000 [0,2,0,0,0,0|1,0,1]=4 211 B7R0.5 NCCC(O)C(=O)O SBB066010 [0,2,0,0,0,0|1,0,1]=4 212 B7R0.5 NCC[C@H](N)C(=O)O SBB003640 [0,2,0,0,0,0|1,0,1]=4 213 B7R0.7 CCCC(=O)CCC SBB060386 [0,2,0,0,0,0|1,0,0]=3 214 B7R0.7 CCCC(N)CCC SBB018801 [0,2,0,0,0,0|1,0,0]=3 215 B7R0.7 CCCC(O)CCC SBB061327 [0,2,0,0,0,0|1,0,0]=3 216 B7R0.7 CCCN(C)CCC SBB061592 [0,2,0,0,0,0|1,0,0]=3 217 B7R0.7 CCNC(C)CCO SBB046562 [0,2,0,0,0,0|0,0,0]=2 218 B7R0.7 CCOC(=O)CCBr SBB070739 [0,2,0,0,0,0|1,0,1]=4 219 B7R0.7 CCOC(=O)CCN SBB004038 [0,2,0,0,0,0|1,0,1]=4 220 B7R0.7 CCOC(C)OCC SBB058503 [0,2,0,0,0,0|2,0,0]=4 221 B7R0.10 COC(=O)C(N)CO SBB004026 [0,2,0,0,0,0|1,0,1]=4 222 B7R0.10 ClCC(Cl)C(Cl)CCl SBB060986 [0,2,0,0,0,0|2,0,0]=4 223 B7R0.10 OCC(Br)C(Br)CO SBB070873 [0,2,0,0,0,0|1,0,0]=3 224 B7R0.10 OC[C@H]([C@@H](C)CC)N SBB027248 [0,2,0,0,0,0|0,0,0]=2 225 B7R0.11 C#CC(C)(O)CCC SBB002538 [0,2,0,0,0,0|1,0,1]=4 226 B7R0.11 CCS(=O)(=O)CCCl SBB019269 [0,2,0,0,0,0|2,0,0]=4 227 B7R0.11 CCS(=O)(=O)CCO SBB008148 [0,2,0,0,0,0|1,0,0]=3 228 B7R0.12 CCCC(CO)CO SBB059211 [0,2,0,0,0,0|0,0,0]=2 229 B7R0.12 CCN(CC)CCN SBB060903 [0,2,0,0,0,0|2,0,0]=4 230 B7R0.12 CCN(CC)CCO SBB058521 [0,2,0,0,0,0|1,0,0]=3 231 B7R0.4 C#CCCCC(=O)O SBB009090 [0,2,0,0,0,0|0,0,2]=4 232 B7R0.4 CC(C)CCCCBr SBB008833 [0,2,0,0,0,0|1,0,0]=3 233 B7R0.4 CC(C)OCCC#N SBB080430 [0,2,0,0,0,0|1,0,1]=4 234 B7R0.4 CC(C)OCCCN SBB061717 [0,2,0,0,0,0|1,0,0]=3 235 B7R0.4 CC(Cl)COCCCl SBB056511 [0,2,0,0,0,0|1,0,0]=3 236 B7R0.4 CCCC#CC(=O)O SBB009091 [0,2,0,0,0,0|0,0,2]=4 237 B7R0.4 CCCCCC(=O)Cl SBB060011 [0,2,0,0,0,0|0,0,1]=3 238 B7R0.4 CCCCCC(=O)O SBB053586 [0,2,0,0,0,0|0,0,0]=2 239 B7R0.4 CCCCCC(C)=O SBB061125 [0,2,0,0,0,0|0,0,1]=3 240 B7R0.4 CCCCCC(N)=O SBB061056 [0,2,0,0,0,0|0,0,1]=3 241 B7R0.4 CCCCNC(N)=S SBB028242 [0,2,0,0,0,0|0,1,1]=4 242 B7R0.4 CCCCOC(Cl)Cl SBB060510 [0,2,0,0,0,0|1,0,0]=3 243 B7R0.4 CCCCOC(N)=O SBB060819 [0,2,0,0,0,0|0,0,2]=4 244 B7R0.4 CCCOCC(C)O SBB061007 [0,2,0,0,0,0|0,0,0]=2 245 B7R0.4 CCC\C=C\C(=O)O SBB009088 [0,2,0,0,0,0|0,0,2]=4 246 B7R0.4 CCOCCC(=O)O SBB053607 [0,2,0,0,0,0|0,0,1]=3 247 B7R0.4 CN(C)CCCC#N SBB072052 [0,2,0,0,0,0|1,0,1]=4 248 B7R0.4 CN(C)CCCCN SBB008514 [0,2,0,0,0,0|1,0,0]=3 249 B7R0.4 CNCCCN(C)C SBB052125 [0,2,0,0,0,0|2,0,0]=4 250 B7R0.4 COCCNC(C)C SBB302570 [0,2,0,0,0,0|1,0,0]=3 251 B7R0.4 COCCOC(C)=O SBB060999 [0,2,0,0,0,0|1,0,1]=4 252 B7R0.4 NCCCCC(=O)O SBB061559 [0,2,0,0,0,0|0,0,1]=3 253 B7R0.4 O=C(O)CCCCBr SBB061343 [0,2,0,0,0,0|0,0,1]=3 254 B7R0.4 O=C(O)CCCCCl SBB061215 [0,2,0,0,0,0|0,0,1]=3 255 B7R0.4 OC(=O)C\C=C/CC SBB006610 [0,2,0,0,0,0|0,0,2]=4 256 B7R0.4 [NH2+]=C(N)SCCCC SBB060794 [0,2,0,0,0,0|1,0,1]=4 257 B7R0.6 CC(=O)CCC(=O)O SBB040561 [0,2,0,0,0,0|0,0,2]=4 258 B7R0.6 CC(C)CCC(=O)O SBB065829 [0,2,0,0,0,0|0,0,1]=3 259 B7R0.6 CC(C)CCC(C)N SBB008544 [0,2,0,0,0,0|1,0,0]=3 260 B7R0.6 CC(C)CCC(C)O SBB061318 [0,2,0,0,0,0|0,0,0]=2 261 B7R0.6 CC(C)CNC(C)C SBB046539 [0,2,0,0,0,0|2,0,0]=4 262 B7R0.6 CC(O)C#CC(C)O SBB067653 [0,2,0,0,0,0|0,0,2]=4 263 B7R0.6 CC(O)COC(C)C SBB061008 [0,2,0,0,0,0|1,0,0]=3 264 B7R0.8 CC(C)(C)OCCO SBB060172 [0,2,0,0,0,0|1,0,0]=3 265 B7R0.8 CCCCS(=O)(=O)Cl SBB061680 [0,2,0,0,0,0|1,0,1]=4 266 B7R0.8 CCNCC(C)(C)C SBB080378 [0,2,0,0,0,0|2,0,0]=4 267 B7R0.8 CNCCC(C)(C)C SBB080385 [0,2,0,0,0,0|2,0,0]=4 268 B7R0.8 CNCCS(=O)(=O)O SBB072665 [0,2,0,0,0,0|2,0,0]=4 269 B7R0.8 NCCCP(=O)(O)O SBB004184 [0,2,0,0,0,0|2,0,0]=4 270 B7R0.8 [NH3+]CCCS(C)(=O)=O SBB088827 [0,2,0,0,0,0|2,0,0]=4 271 B7R0.1 BrCCCCCCBr SBB060205 [0,2,0,0,0,0|1,0,0]=3 272 B7R0.1 C#CCNCCCC SBB300093 [0,2,0,0,0,0|1,0,0]=3 273 B7R0.1 C=CCCCCCC SBB059884 [0,2,0,0,0,0|1,0,0]=3 274 B7R0.1 C=CCSCCCC SBB058522 [0,2,0,0,0,0|1,0,0]=3 275 B7R0.1 CCCC#CCCO SBB008799 [0,2,0,0,0,0|0,0,0]=2 276 B7R0.1 CCCCC#CCO SBB008796 [0,2,0,0,0,0|0,0,0]=2 277 B7R0.1 CCCCCCC#N SBB060052 [0,2,0,0,0,0|1,0,0]=3 278 B7R0.1 CCCCCCCBr SBB059936 [0,2,0,0,0,0|1,0,0]=3 279 B7R0.1 CCCCCCCCl SBB059954 [0,2,0,0,0,0|1,0,0]=3 280 B7R0.1 CCCCCCCN SBB059985 [0,2,0,0,0,0|1,0,0]=3 281 B7R0.1 CCCCCCOC SBB061157 [0,2,0,0,0,0|0,0,0]=2 282 B7R0.1 CCCCCN=C=S SBB085742 [0,2,0,0,0,0|0,1,0]=3 283 B7R0.1 CCCCCOC=O SBB060301 [0,2,0,0,0,0|0,0,0]=2 284 B7R0.1 CCCCCSC#N SBB060089 [0,2,0,0,0,0|0,1,0]=3 285 B7R0.1 CCCCNCCC SBB059822 [0,2,0,0,0,0|1,0,0]=3 286 B7R0.1 CCCCOCCBr SBB007731 [0,2,0,0,0,0|1,0,0]=3 287 B7R0.1 CCCCOCCCl SBB059964 [0,2,0,0,0,0|1,0,0]=3 288 B7R0.1 CCCCOCCO SBB059918 [0,2,0,0,0,0|0,0,0]=2 289 B7R0.1 CCCCSCCN SBB072659 [0,2,0,0,0,0|1,0,0]=3 290 B7R0.1 CCCCSCCO SBB013616 [0,2,0,0,0,0|0,0,0]=2 291 B7R0.1 CCCCSCCS SBB057435 [0,2,0,0,0,0|0,1,0]=3 292 B7R0.1 CCCNCCC#N SBB059761 [0,2,0,0,0,0|1,0,0]=3 293 B7R0.1 CCCOCCCN SBB056585 [0,2,0,0,0,0|1,0,0]=3 294 B7R0.1 CCCSSCCC SBB058501 [0,2,0,0,0,0|1,0,0]=3 295 B7R0.1 CCNCCCCO SBB052126 [0,2,0,0,0,0|0,0,0]=2 296 B7R0.1 CCNCCNCC SBB072869 [0,2,0,0,0,0|1,0,0]=3 297 B7R0.1 COCCCN=C=S SBB085786 [0,2,0,0,0,0|0,1,1]=4 298 B7R0.1 COCCOCCCl SBB059966 [0,2,0,0,0,0|1,0,0]=3 299 B7R0.1 COCCOCCO SBB059920 [0,2,0,0,0,0|0,0,0]=2 300 B7R0.1 COCCOCCS SBB061387 [0,2,0,0,0,0|0,1,0]=3 301 B7R0.1 COCCSCCO SBB061070 [0,2,0,0,0,0|0,0,0]=2 302 B7R0.1 CSCCCN=C=S SBB066566 [0,2,0,0,0,0|0,1,1]=4 303 B7R0.1 C\C=C\CCCCC SBB059885 [0,2,0,0,0,0|1,0,0]=3 304 B7R0.1 ClCCCCCCCl SBB060213 [0,2,0,0,0,0|1,0,0]=3 305 B7R0.1 N#CCCCCC#N SBB060888 [0,2,0,0,0,0|1,0,1]=4 306 B7R0.1 N#CCCCCCBr SBB058579 [0,2,0,0,0,0|1,0,0]=3 307 B7R0.1 N#CCCSCCO SBB069588 [0,2,0,0,0,0|0,0,1]=3 308 B7R0.1 NCCCCCCN SBB059999 [0,2,0,0,0,0|1,0,0]=3 309 B7R0.1 NCCCNCCN SBB052120 [0,2,0,0,0,0|1,0,0]=3 310 B7R0.1 NCCCNCCO SBB059810 [0,2,0,0,0,0|0,0,0]=2 311 B7R0.1 NCCSSCCN SBB003325 [0,2,0,0,0,0|2,0,0]=4 312 B7R0.1 OCCCCCCBr SBB054752 [0,2,0,0,0,0|0,0,0]=2 313 B7R0.1 OCCCCCCCl SBB060188 [0,2,0,0,0,0|0,0,0]=2 314 B7R0.1 OCCCCCCN SBB006584 [0,2,0,0,0,0|0,0,0]=2 315 B7R0.1 OCCCCCCO SBB059915 [0,2,0,0,0,0|0,0,0]=2 316 B7R0.1 OCCCCCCS SBB058615 [0,2,0,0,0,0|0,0,0]=2 317 B5R1.1 C1CSCN1 SBB111928 [1,0,0,1,0,0|1,1,0]=4 318 B5R1.2 OC1CNC1 SBB056270 [1,0,0,1,0,0|1,0,0]=3 319 B5R1.3 BrCC1CC1 SBB054967 [1,0,0,1,0,0|1,0,0]=3 320 B5R1.3 NCC1CC1 SBB047771 [1,0,0,1,0,0|1,0,0]=3 321 B5R1.3 OCC1CC1 SBB059473 [1,0,0,1,0,0|0,0,0]=2 322 B7R1.1 BrCC1CCCC1 SBB054968 [0,1,0,1,0,0|1,0,0]=3 323 B7R1.1 BrCC1CCCO1 SBB003909 [0,1,0,1,0,0|0,0,0]=2 324 B7R1.1 BrCC1OCCO1 SBB070708 [0,1,0,1,0,0|1,0,0]=3 325 B7R1.1 ClCC1CCCN1 SBB018633 [0,1,0,1,0,0|1,0,0]=3 326 B7R1.1 ClCC1CCCO1 SBB008957 [0,1,0,1,0,0|0,0,0]=2 327 B7R1.1 N#CC1CCCC1 SBB008886 [0,1,0,1,0,0|1,0,0]=3 328 B7R1.1 N#CN1CCCC1 SBB059310 [0,1,0,1,0,0|1,0,1]=4 329 B7R1.1 NCC1CCCO1 SBB028168 [0,1,0,1,0,0|0,0,0]=2 330 B7R1.1 NNC1CCCC1 SBB301621 [0,1,0,1,0,0|1,0,0]=3 331 B7R1.1 O=CC1CCCC1 SBB069481 [0,1,0,1,0,0|0,0,1]=3 332 B7R1.1 O=CC1CCOC1 SBB052278 [0,1,0,1,0,0|0,0,2]=4 333 B7R1.1 OCC1CCCC1 SBB008516 [0,1,0,1,0,0|0,0,0]=2 334 B7R1.1 OCC1CCCO1 SBB058567 [0,1,0,1,0,0|0,0,0]=2 335 B7R1.1 OCC1CCNC1 SBB046413 [0,1,0,1,0,0|0,0,0]=2 336 B7R1.1 OCC1OCCO1 SBB059646 [0,1,0,1,0,0|1,0,0]=3 337 B7R1.1 OC[C@H]1CCCN1 SBB027252 [0,1,0,1,0,0|0,0,0]=2 338 B7R1.1 ON=C1CCCC1 SBB060393 [0,1,0,1,0,0|0,0,1]=3 339 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [0,1,0,1,0,0|1,0,1]=4 340 B7R1.3 BrC1C=CCCC1 SBB007864 [0,1,0,1,0,0|1,0,1]=4 341 B7R1.3 BrC1CCCCC1 SBB059944 [0,1,0,1,0,0|1,0,0]=3 342 B7R1.3 BrC1CCNCC1 SBB054613 [0,1,0,1,0,0|1,0,0]=3 343 B7R1.3 CC1CC=CCC1 SBB060473 [0,1,0,1,0,0|1,0,1]=4 344 B7R1.3 CC1CCCCC1 SBB061163 [0,1,0,1,0,0|1,0,0]=3 345 B7R1.3 CC1SCCCS1 SBB056211 [0,1,0,1,0,0|0,1,0]=3 346 B7R1.3 CN1CCCCC1 SBB060237 [0,1,0,1,0,0|1,0,0]=3 347 B7R1.3 CN1CCOCC1 SBB061013 [0,1,0,1,0,0|1,0,0]=3 348 B7R1.3 ClC1CCOCC1 SBB070678 [0,1,0,1,0,0|0,0,0]=2 349 B7R1.3 FC1CCCNC1 SBB070684 [0,1,0,1,0,0|1,0,0]=3 350 B7R1.3 FC1CCNCC1 SBB070685 [0,1,0,1,0,0|1,0,0]=3 351 B7R1.3 N1CCC(C)CC1 SBB027302 [0,1,0,1,0,0|1,0,0]=3 352 B7R1.3 N1CCCC(C)C1 SBB027301 [0,1,0,1,0,0|1,0,0]=3 353 B7R1.3 N1CCCC(O)C1 SBB004193 [0,1,0,1,0,0|0,0,0]=2 354 B7R1.3 N1CCCCC1C SBB027300 [0,1,0,1,0,0|1,0,0]=3 355 B7R1.3 N1CCN(C)CC1 SBB027304 [0,1,0,1,0,0|2,0,0]=4 356 B7R1.3 N1CCNC(C)C1 SBB027299 [0,1,0,1,0,0|1,0,0]=3 357 B7R1.3 NC1CCCCC1 SBB040492 [0,1,0,1,0,0|1,0,0]=3 358 B7R1.3 NC1CCCNC1 SBB052004 [0,1,0,1,0,0|1,0,0]=3 359 B7R1.3 NC1CCCOC1 SBB012974 [0,1,0,1,0,0|0,0,0]=2 360 B7R1.3 NC1CCNCC1 SBB028166 [0,1,0,1,0,0|1,0,0]=3 361 B7R1.3 NC1CCOCC1 SBB014873 [0,1,0,1,0,0|0,0,0]=2 362 B7R1.3 NC1CCOCC1 SBB069906 [0,1,0,1,0,0|0,0,0]=2 363 B7R1.3 NN1CCCCC1 SBB067336 [0,1,0,1,0,0|1,0,0]=3 364 B7R1.3 NN1CCOCC1 SBB004363 [0,1,0,1,0,0|1,0,0]=3 365 B7R1.3 N[C@@H]1CCCNC1 SBB069744 [0,1,0,1,0,0|1,0,0]=3 366 B7R1.3 N[C@H]1CCCNC1 SBB017596 [0,1,0,1,0,0|1,0,0]=3 367 B7R1.3 O=C1CCCCC1 SBB060074 [0,1,0,1,0,0|0,0,1]=3 368 B7R1.3 O=C1CCCCO1 SBB060349 [0,1,0,1,0,0|0,0,1]=3 369 B7R1.3 O=C1CCOCC1 SBB049627 [0,1,0,1,0,0|0,0,1]=3 370 B7R1.3 O=C1CCSCC1 SBB048121 [0,1,0,1,0,0|0,0,2]=4 371 B7R1.3 OC1CCCCC1 SBB060483 [0,1,0,1,0,0|0,0,0]=2 372 B7R1.3 OC1CCCCO1 SBB055947 [0,1,0,1,0,0|0,0,0]=2 373 B7R1.3 OC1CCCNC1 SBB027351 [0,1,0,1,0,0|0,0,0]=2 374 B7R1.3 OC1CCNCC1 SBB027346 [0,1,0,1,0,0|0,0,0]=2 375 B7R1.3 OC1CCOCC1 SBB055945 [0,1,0,1,0,0|0,0,0]=2 376 B7R1.4 BrC1CCCC1Br SBB060684 [0,1,0,1,0,0|1,0,0]=3 377 B7R1.4 CN1CCCC1=O SBB060297 [0,1,0,1,0,0|0,0,2]=4 378 B7R1.4 ClC1CCCC1Cl SBB060212 [0,1,0,1,0,0|1,0,0]=3 379 B7R1.4 NC1CCOC1=O SBB004366 [0,1,0,1,0,0|1,0,1]=4 380 B7R1.4 NC1CCOC1=O SBB057192 [0,1,0,1,0,0|1,0,1]=4 381 B7R1.4 N[C@@H]1CSC[C@H]1O SBB014689 [0,1,0,1,0,0|1,0,0]=3 382 B7R1.4 O=C1OCCC1Br SBB083094 [0,1,0,1,0,0|1,0,1]=4 383 B7R1.4 OC1CCCC1Cl SBB060196 [0,1,0,1,0,0|0,0,0]=2 384 B7R1.4 O[C@H]1CCC[C@H]1O SBB008502 [0,1,0,1,0,0|0,0,0]=2 385 B7R1.6 N#CCC1CCC1 SBB071683 [0,1,0,1,0,0|1,0,0]=3 386 B7R1.10 C=C1CC(CN)C1 SBB052508 [0,1,0,1,0,0|1,0,1]=4 387 B7R1.10 O=C1CC(CO)C1 SBB054867 [0,1,0,1,0,0|0,0,1]=3 388 B7R1.22 N\C(=N/O)C1CC1 SBB024038 [0,1,0,1,0,0|1,0,1]=4 389 B7R1.22 O=C(CBr)C1CC1 SBB051680 [0,1,0,1,0,0|1,0,1]=4 390 B7R1.25 CC1(CN)COC1 SBB303303 [0,1,0,1,0,0|2,0,0]=4 391 B7R1.25 CC1(CO)COC1 SBB006512 [0,1,0,1,0,0|1,0,0]=3 392 B7R1.25 CC1(CO)COC1 SBB009078 [0,1,0,1,0,0|1,0,0]=3 393 B7R1.7 CCCCC1CO1 SBB017137 [0,1,0,1,0,0|0,0,0]=2 394 B7R1.12 C[C@H]1C[C@H]1C(=O)O SBB069055 [0,1,0,1,0,0|0,0,1]=3 395 B7R1.14 CC1(C)COCN1 SBB059841 [0,1,0,1,0,0|2,0,0]=4 396 B7R1.14 FC1(F)CCNC1 SBB086302 [0,1,0,1,0,0|2,0,0]=4 397 B7R1.14 O=S1(=O)CCCC1 SBB057389 [0,1,0,1,0,0|1,0,1]=4 398 B7R1.18 NC(=O)C1CCC1 SBB111823 [0,1,0,1,0,0|0,0,2]=4 399 B7R1.18 O=C(Cl)C1CCC1 SBB007882 [0,1,0,1,0,0|0,0,2]=4 400 B7R1.18 O=C(O)C1CCC1 SBB053465 [0,1,0,1,0,0|0,0,1]=3 401 B7R1.18 O=C(O)C1CCN1 SBB053470 [0,1,0,1,0,0|1,0,1]=4 402 B7R1.18 O=C(O)C1CNC1 SBB027353 [0,1,0,1,0,0|1,0,1]=4 403 B7R1.18 O=C(O)[C@@H]1CCN1 SBB004365 [0,1,0,1,0,0|1,0,1]=4 404 B7R1.20 O=C(O)CC1CC1 SBB005442 [0,1,0,1,0,0|0,0,1]=3 405 B7R1.24 C1=CCCCCC1 SBB059889 [0,1,0,1,0,0|1,0,0]=3 406 B7R1.24 C1CCCCCC1 SBB060406 [0,1,0,1,0,0|1,0,0]=3 407 B7R1.24 C1CNCCNC1 SBB004367 [0,1,0,1,0,0|1,0,0]=3 408 B7R1.24 C1CNCCOC1 SBB049498 [0,1,0,1,0,0|0,0,0]=2 409 B7R1.24 N1CCCCCC1 SBB027297 [0,1,0,1,0,0|1,0,0]=3