0 B5R0.2 BrCCCCBr SBB060204 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.2 C=COCCCl SBB061485 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.2 C=COCCN SBB072719 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.2 CC#CCCO SBB009118 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.2 CCC#CCO SBB009120 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.2 CCCCCBr SBB059933 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.2 CCCCCCl SBB059951 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.2 CCCN=C=S SBB060984 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.2 CCNNCC SBB069584 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.2 CCOCCBr SBB008332 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.2 CCOCCCl SBB061015 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.2 CCOCCN SBB072161 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.2 CCSCCN SBB017894 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.2 CNCCCN SBB059823 [0,0,0,0,0,0|1,0,0]=1 14 B5R0.2 CSCCCO SBB056451 [0,0,0,0,0,0|1,0,0]=1 15 B5R0.2 FCCCCBr SBB087044 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.2 N#CCCCBr SBB054746 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.2 N#CCCCCl SBB061739 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.2 NCCCCN SBB059998 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.2 O=C=NCCCl SBB054898 [0,0,0,0,0,0|4,0,0]=4 20 B5R0.2 OCCCCCl SBB002444 [0,0,0,0,0,0|3,0,0]=3 21 B4R0.2 BrCCCBr SBB060203 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.2 CCCCBr SBB059930 [1,0,0,0,0,0|1,0,0]=2 23 B4R0.2 CNCC#N SBB071612 [1,0,0,0,0,0|1,0,2]=4 24 B4R0.2 CNCCI SBB071605 [1,0,0,0,0,0|2,0,0]=3 25 B4R0.2 COCCBr SBB007906 [1,0,0,0,0,0|1,1,0]=3 26 B4R0.2 C\C=C\CC SBB059879 [1,0,0,0,0,0|1,0,1]=3 27 B4R0.2 ClCCCBr SBB058669 [1,0,0,0,0,0|2,0,0]=3 28 B4R0.2 ClCCCCl SBB040918 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.2 OCCCBr SBB054750 [1,0,0,0,0,0|1,1,0]=3 30 B4R0.2 [NH2+](CC)CC SBB059849 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.1 C#CC(O)CCC SBB067434 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.1 CCC(O)COC SBB072708 [0,1,0,0,0,0|1,1,0]=3 33 B6R0.1 CCCC(=O)CC SBB061496 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.1 CCCC(=O)NN SBB028175 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.1 CCCC(=O)OC SBB061104 [0,1,0,0,0,0|1,1,1]=4 36 B6R0.1 CCCC(C)CO SBB061282 [0,1,0,0,0,0|2,0,0]=3 37 B6R0.1 CCCC(O)CC SBB061363 [0,1,0,0,0,0|2,0,0]=3 38 B6R0.1 CCNC(C)CO SBB046531 [0,1,0,0,0,0|3,0,0]=4 39 B6R0.1 CNC(C)CCO SBB046542 [0,1,0,0,0,0|2,0,0]=3 40 B6R0.1 CNCC(C)OC SBB049894 [0,1,0,0,0,0|2,1,0]=4 41 B6R0.1 COC(=O)CCBr SBB070709 [0,1,0,0,0,0|1,1,1]=4 42 B6R0.1 COC(=O)CCN SBB071679 [0,1,0,0,0,0|0,1,1]=3 43 B6R0.1 COCC(=O)NN SBB021113 [0,1,0,0,0,0|1,1,1]=4 44 B6R0.1 COCC(O)CN SBB051203 [0,1,0,0,0,0|0,1,0]=2 45 B6R0.1 OC(CBr)CCBr SBB007842 [0,1,0,0,0,0|3,0,0]=4 46 B6R0.4 C=CCCC(C)=O SBB009089 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.4 CC(=O)NCCCl SBB008165 [0,1,0,0,0,0|3,0,0]=4 48 B6R0.4 CC(=O)NCCN SBB028176 [0,1,0,0,0,0|2,0,0]=3 49 B6R0.4 CC(=O)NCCO SBB007954 [0,1,0,0,0,0|3,0,0]=4 50 B6R0.4 CC(=O)OCCCl SBB058505 [0,1,0,0,0,0|3,0,0]=4 51 B6R0.4 CC(C)NCCN SBB048119 [0,1,0,0,0,0|2,0,0]=3 52 B6R0.4 CC(C)NCCO SBB056428 [0,1,0,0,0,0|3,0,0]=4 53 B6R0.4 CC(C)OCCN SBB301616 [0,1,0,0,0,0|2,0,0]=3 54 B6R0.4 CCCCC(=O)O SBB053585 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.4 CCCCC(C)=O SBB061262 [0,1,0,0,0,0|2,0,0]=3 56 B6R0.4 CCCCC(C)O SBB061290 [0,1,0,0,0,0|2,0,0]=3 57 B6R0.4 CCCCC(N)=O SBB028169 [0,1,0,0,0,0|1,0,1]=3 58 B6R0.4 CCCCN(C)C SBB060243 [0,1,0,0,0,0|2,0,0]=3 59 B6R0.4 CCCNC(N)=O SBB028174 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.4 CCCOC(C)=O SBB060305 [0,1,0,0,0,0|3,0,0]=4 61 B6R0.4 CCCOC(N)=O SBB000036 [0,1,0,0,0,0|2,0,1]=4 62 B6R0.4 CCOCC(C)O SBB061006 [0,1,0,0,0,0|3,0,0]=4 63 B6R0.4 CN(C)CCC#N SBB068380 [0,1,0,0,0,0|1,0,2]=4 64 B6R0.4 CN(C)CCCN SBB028177 [0,1,0,0,0,0|1,0,0]=2 65 B6R0.4 CNCCC(N)=O SBB080375 [0,1,0,0,0,0|1,0,1]=3 66 B6R0.4 NCCCC(=O)O SBB028179 [0,1,0,0,0,0|2,0,0]=3 67 B6R0.4 NCCNC(=S)S SBB069239 [0,1,0,0,0,0|3,0,0]=4 68 B6R0.4 O=C(Cl)CCCCl SBB060894 [0,1,0,0,0,0|3,0,0]=4 69 B6R0.4 O=C(O)CCCBr SBB065986 [0,1,0,0,0,0|3,0,0]=4 70 B6R0.6 BrCCOCCBr SBB054744 [0,1,0,0,0,0|3,0,0]=4 71 B6R0.6 C#CCCCC#C SBB008772 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.6 C#CCCCCC SBB067441 [0,1,0,0,0,0|2,0,0]=3 73 B6R0.6 C#CCCCCO SBB015110 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.6 C#CCOCCO SBB067658 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.6 C=CCCCCBr SBB054740 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.6 C=CCCCCC SBB059882 [0,1,0,0,0,0|2,0,0]=3 77 B6R0.6 C=CCOCCO SBB060194 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.6 CCCCCC#N SBB060051 [0,1,0,0,0,0|1,0,1]=3 79 B6R0.6 CCCCCCBr SBB059934 [0,1,0,0,0,0|2,0,0]=3 80 B6R0.6 CCCCCCCl SBB059952 [0,1,0,0,0,0|2,0,0]=3 81 B6R0.6 CCCCCCN SBB059984 [0,1,0,0,0,0|1,0,0]=2 82 B6R0.6 CCCCCCO SBB059899 [0,1,0,0,0,0|2,0,0]=3 83 B6R0.6 CCCCCOC SBB061300 [0,1,0,0,0,0|1,1,0]=3 84 B6R0.6 CCCCN=C=S SBB060985 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.6 CCCCNC=O SBB060026 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.6 CCCCOC=O SBB060300 [0,1,0,0,0,0|1,1,1]=4 87 B6R0.6 CCCCSC#N SBB056760 [0,1,0,0,0,0|1,0,1]=3 88 B6R0.6 CCCCSCC SBB061178 [0,1,0,0,0,0|1,0,0]=2 89 B6R0.6 CCCNCCC SBB059762 [0,1,0,0,0,0|2,0,0]=3 90 B6R0.6 CCCOCCO SBB061379 [0,1,0,0,0,0|2,0,0]=3 91 B6R0.6 CCCSCCC SBB061017 [0,1,0,0,0,0|2,0,0]=3 92 B6R0.6 CCCSCCO SBB058605 [0,1,0,0,0,0|2,0,0]=3 93 B6R0.6 CCNCCC#N SBB006528 [0,1,0,0,0,0|1,0,2]=4 94 B6R0.6 CCOCCC#N SBB067181 [0,1,0,0,0,0|0,1,2]=4 95 B6R0.6 CCOCCCN SBB028180 [0,1,0,0,0,0|0,1,0]=2 96 B6R0.6 CC\C=C/CCO SBB007739 [0,1,0,0,0,0|2,0,1]=4 97 B6R0.6 COCCN=C=S SBB013663 [0,1,0,0,0,0|1,1,1]=4 98 B6R0.6 ClCCOCCCl SBB059969 [0,1,0,0,0,0|3,0,0]=4 99 B6R0.6 N#CCCCC#N SBB068303 [0,1,0,0,0,0|2,0,1]=4 100 B6R0.6 N#CCCCCCl SBB061418 [0,1,0,0,0,0|1,0,2]=4 101 B6R0.6 NCCCCCN SBB079706 [0,1,0,0,0,0|1,0,0]=2 102 B6R0.6 NCCNCCN SBB059776 [0,1,0,0,0,0|2,0,0]=3 103 B6R0.6 NCCNCCO SBB028183 [0,1,0,0,0,0|2,0,0]=3 104 B6R0.6 NCCOCCO SBB060906 [0,1,0,0,0,0|2,0,0]=3 105 B6R0.6 NCCSCCO SBB056468 [0,1,0,0,0,0|2,0,0]=3 106 B6R0.6 O=C=NCCCCl SBB068362 [0,1,0,0,0,0|2,0,1]=4 107 B6R0.6 OCCNCCO SBB059779 [0,1,0,0,0,0|3,0,0]=4 108 B6R0.6 OCCOCCCl SBB060189 [0,1,0,0,0,0|3,0,0]=4 109 B6R0.6 OCCSCCO SBB060117 [0,1,0,0,0,0|3,0,0]=4 110 B6R0.6 SCCOCCS SBB058846 [0,1,0,0,0,0|3,0,0]=4 111 B6R1.1 C1=COCCC1 SBB060381 [0,0,0,1,0,0|1,1,1]=4 112 B6R1.1 C1CSCCN1 SBB056209 [0,0,0,1,0,0|2,0,0]=3 113 B6R1.1 C1CSCCO1 SBB060674 [0,0,0,1,0,0|2,0,0]=3 114 B6R1.1 C1CSCSC1 SBB061220 [0,0,0,1,0,0|1,0,0]=2 115 B6R1.1 C1OCOCO1 SBB060143 [0,0,0,1,0,0|2,1,0]=4 116 B6R1.1 C1SCSCS1 SBB056869 [0,0,0,1,0,0|2,0,0]=3 117 B6R1.2 BrC1CCCC1 SBB040823 [0,0,0,1,0,0|2,0,0]=3 118 B6R1.2 CC1=NCCN1 SBB040067 [0,0,0,1,0,0|2,0,0]=3 119 B6R1.2 F[C@H]1CCNC1 SBB085616 [0,0,0,1,0,0|2,0,0]=3 120 B6R1.2 N1CCC(N)C1 SBB027337 [0,0,0,1,0,0|1,0,0]=2 121 B6R1.2 NC1=NCCN1 SBB300496 [0,0,0,1,0,0|3,0,0]=4 122 B6R1.2 NC1CCCC1 SBB040467 [0,0,0,1,0,0|1,0,0]=2 123 B6R1.2 NC1CCNC1 SBB003982 [0,0,0,1,0,0|1,0,0]=2 124 B6R1.2 NN1CCCC1 SBB066760 [0,0,0,1,0,0|2,0,0]=3 125 B6R1.2 O=C1CCCC1 SBB040835 [0,0,0,1,0,0|2,0,1]=4 126 B6R1.2 O=C1CCCN1 SBB060296 [0,0,0,1,0,0|2,0,0]=3 127 B6R1.2 O=C1CCNN1 SBB007977 [0,0,0,1,0,0|3,0,0]=4 128 B6R1.2 O=C1CCSC1 SBB007947 [0,0,0,1,0,0|1,0,1]=3 129 B6R1.2 OC1CCNC1 SBB056152 [0,0,0,1,0,0|2,0,0]=3 130 B6R1.2 O[C@H]1CCNC1 SBB004272 [0,0,0,1,0,0|2,0,0]=3 131 B6R1.2 O[C@H]1CCNC1 SBB027336 [0,0,0,1,0,0|2,0,0]=3 132 B6R1.2 O[C@H]1CCOC1 SBB062959 [0,0,0,1,0,0|1,1,0]=3 133 B6R1.2 S=C1NCCN1 SBB004362 [0,0,0,1,0,0|3,0,0]=4 134 B6R1.6 BrCC1CCC1 SBB054975 [0,0,0,1,0,0|2,0,0]=3 135 B6R1.6 NCC1CCC1 SBB108847 [0,0,0,1,0,0|1,0,0]=2 136 B3R0.1 BrCCBr SBB040806 [2,0,0,0,0,0|2,0,0]=4 137 B3R0.1 CCCBr SBB040931 [2,0,0,0,0,0|1,0,0]=3 138 B3R0.1 ClCCCl SBB040805 [2,0,0,0,0,0|2,0,0]=4 139 B3R0.1 N#CCN SBB065784 [2,0,0,0,0,0|1,0,1]=4 140 B3R0.1 NCCBr SBB005857 [2,0,0,0,0,0|1,0,0]=3 141 B3R0.1 NCCCl SBB005775 [2,0,0,0,0,0|1,0,0]=3 142 B3R0.1 OCCBr SBB058668 [2,0,0,0,0,0|1,1,0]=4 143 B3R0.1 [NH3+]CCBr SBB060242 [2,0,0,0,0,0|1,0,1]=4 144 B5R0.1 CC(C)CCBr SBB061181 [1,1,0,0,0,0|1,0,0]=3 145 B5R0.1 CC(C)CCO SBB060162 [1,1,0,0,0,0|1,0,0]=3 146 B5R0.1 CC(C)CNN SBB042741 [1,1,0,0,0,0|1,0,0]=3 147 B5R0.1 CCCC(=O)Cl SBB040624 [1,1,0,0,0,0|1,0,1]=4 148 B5R0.1 CN(C)CCBr SBB073020 [1,1,0,0,0,0|2,0,0]=4 149 B5R0.1 CN(C)CCN SBB007533 [1,1,0,0,0,0|1,0,0]=3 150 B5R0.1 CS(=O)CCN SBB050811 [1,1,0,0,0,0|0,0,1]=3 151 B5R0.1 CSCC(=O)O SBB053570 [1,1,0,0,0,0|1,0,1]=4 152 B5R0.1 C\C(Cl)=C\CN SBB301293 [1,1,0,0,0,0|0,0,2]=4 153 B5R0.1 [NH+](C)(C)CCCl SBB057087 [1,1,0,0,0,0|2,0,0]=4 154 B5R0.3 CCC(=O)NN SBB021112 [1,1,0,0,0,0|1,0,1]=4 155 B5R0.3 CCC(C)CBr SBB007669 [1,1,0,0,0,0|1,0,0]=3 156 B5R0.3 CCC(Cl)CCl SBB060453 [1,1,0,0,0,0|1,0,0]=3 157 B5R0.3 CCC(N)CC SBB000050 [1,1,0,0,0,0|1,0,0]=3 158 B5R0.3 CCC(N)CC SBB071911 [1,1,0,0,0,0|1,0,0]=3 159 B5R0.3 CS\C(N)=N/N SBB098045 [1,1,0,0,0,0|1,0,1]=4 160 B5R0.3 ClCC(Cl)CCl SBB060982 [1,1,0,0,0,0|2,0,0]=4 161 B5R0.3 OC(CCl)CCl SBB060190 [1,1,0,0,0,0|2,0,0]=4 162 B5R0.3 OCC(O)CCl SBB060480 [1,1,0,0,0,0|1,1,0]=4 163 B5R0.3 [NH2+]=C(NN)SC SBB072632 [1,1,0,0,0,0|1,0,1]=4 164 B7R0.2 CC(CO)CN(C)C SBB046544 [0,2,0,0,0,0|2,0,0]=4 165 B7R0.2 CCC(O)CN(C)C SBB061151 [0,2,0,0,0,0|2,0,0]=4 166 B7R0.2 NC[C@@H](O)CC(=O)O SBB065945 [0,2,0,0,0,0|2,0,0]=4 167 B7R0.3 C=C(CC)CCCC SBB060475 [0,2,0,0,0,0|2,0,0]=4 168 B7R0.3 C=CC(O)CCCC SBB008778 [0,2,0,0,0,0|2,0,0]=4 169 B7R0.3 CC(CN)CCCN SBB058625 [0,2,0,0,0,0|1,0,0]=3 170 B7R0.3 CCCCC(=O)NN SBB028196 [0,2,0,0,0,0|1,0,1]=4 171 B7R0.3 CCCCC(Cl)CCl SBB060394 [0,2,0,0,0,0|2,0,0]=4 172 B7R0.3 CCN(C)CCCO SBB046555 [0,2,0,0,0,0|2,0,0]=4 173 B7R0.3 CCNCC(O)CC SBB072921 [0,2,0,0,0,0|2,0,0]=4 174 B7R0.3 CCOCC(O)CN SBB017905 [0,2,0,0,0,0|0,1,0]=3 175 B7R0.3 CNCCC(=O)NC SBB046578 [0,2,0,0,0,0|1,0,1]=4 176 B7R0.3 CNCCC(=O)NC SBB080433 [0,2,0,0,0,0|1,0,1]=4 177 B7R0.3 COC(=N)CCCCl SBB056505 [0,2,0,0,0,0|1,1,0]=4 178 B7R0.3 N(N)C(=O)CCOC SBB059492 [0,2,0,0,0,0|0,1,1]=4 179 B7R0.3 OC[C@H](CCSC)N SBB006701 [0,2,0,0,0,0|0,0,0]=2 180 B7R0.5 CC(CCN)N(C)C SBB046536 [0,2,0,0,0,0|1,0,0]=3 181 B7R0.5 CC(CCO)N(C)C SBB046554 [0,2,0,0,0,0|2,0,0]=4 182 B7R0.5 CCCC(C)C(C)O SBB061491 [0,2,0,0,0,0|2,0,0]=4 183 B7R0.5 CN(C)C(=O)CCN SBB085472 [0,2,0,0,0,0|1,0,1]=4 184 B7R0.5 CSC[C@H](N)C(=O)O SBB066379 [0,2,0,0,0,0|1,0,1]=4 185 B7R0.5 NCCC(N)C(=O)O SBB053580 [0,2,0,0,0,0|2,0,0]=4 186 B7R0.5 NCCC(N)C(=O)O SBB066000 [0,2,0,0,0,0|2,0,0]=4 187 B7R0.5 NCCC(O)C(=O)O SBB066010 [0,2,0,0,0,0|2,0,0]=4 188 B7R0.5 NCC[C@H](N)C(=O)O SBB003640 [0,2,0,0,0,0|2,0,0]=4 189 B7R0.7 CCCC(=O)CCC SBB060386 [0,2,0,0,0,0|2,0,0]=4 190 B7R0.7 CCCC(N)CCC SBB018801 [0,2,0,0,0,0|2,0,0]=4 191 B7R0.7 CCCC(O)CCC SBB061327 [0,2,0,0,0,0|2,0,0]=4 192 B7R0.7 CCCN(C)CCC SBB061592 [0,2,0,0,0,0|2,0,0]=4 193 B7R0.7 CCNC(C)CCO SBB046562 [0,2,0,0,0,0|2,0,0]=4 194 B7R0.7 CCOC(=O)CCN SBB004038 [0,2,0,0,0,0|0,1,1]=4 195 B7R0.10 OC[C@H]([C@@H](C)CC)N SBB027248 [0,2,0,0,0,0|2,0,0]=4 196 B7R0.11 CNS(=O)(=O)CCN SBB014589 [0,2,0,0,0,0|2,0,0]=4 197 B7R0.12 CCCC(CO)CO SBB059211 [0,2,0,0,0,0|2,0,0]=4 198 B7R0.12 CCN(CC)CCN SBB060903 [0,2,0,0,0,0|2,0,0]=4 199 B7R0.4 CC(C)CCCCBr SBB008833 [0,2,0,0,0,0|2,0,0]=4 200 B7R0.4 CC(C)OCCCN SBB061717 [0,2,0,0,0,0|0,1,0]=3 201 B7R0.4 CC(Cl)COCCCl SBB056511 [0,2,0,0,0,0|2,0,0]=4 202 B7R0.4 CCCCCC(=O)Cl SBB060011 [0,2,0,0,0,0|2,0,0]=4 203 B7R0.4 CCCCCC(=O)O SBB053586 [0,2,0,0,0,0|2,0,0]=4 204 B7R0.4 CCCCCC(C)=O SBB061125 [0,2,0,0,0,0|2,0,0]=4 205 B7R0.4 CCCCCC(N)=O SBB061056 [0,2,0,0,0,0|1,0,0]=3 206 B7R0.4 CCCCNC(N)=S SBB028242 [0,2,0,0,0,0|1,0,1]=4 207 B7R0.4 CCCCOC(Cl)Cl SBB060510 [0,2,0,0,0,0|1,1,0]=4 208 B7R0.4 CCCCOC(N)=O SBB060819 [0,2,0,0,0,0|1,0,1]=4 209 B7R0.4 CCCOCC(C)O SBB061007 [0,2,0,0,0,0|2,0,0]=4 210 B7R0.4 CN(C)CCCC#N SBB072052 [0,2,0,0,0,0|1,0,1]=4 211 B7R0.4 CN(C)CCCCN SBB008514 [0,2,0,0,0,0|1,0,0]=3 212 B7R0.4 CNCCCN(C)C SBB052125 [0,2,0,0,0,0|1,0,0]=3 213 B7R0.4 COCCNC(C)C SBB302570 [0,2,0,0,0,0|1,1,0]=4 214 B7R0.4 COCCNC(N)=S SBB017633 [0,2,0,0,0,0|0,1,1]=4 215 B7R0.4 NCCCCC(=O)O SBB061559 [0,2,0,0,0,0|1,0,1]=4 216 B7R0.4 [NH2+]=C(N)SCCCC SBB060794 [0,2,0,0,0,0|1,0,1]=4 217 B7R0.6 CC(C)CCC(C)N SBB008544 [0,2,0,0,0,0|1,0,0]=3 218 B7R0.6 CC(C)CCC(C)O SBB061318 [0,2,0,0,0,0|2,0,0]=4 219 B7R0.8 CNCCC(C)(C)C SBB080385 [0,2,0,0,0,0|2,0,0]=4 220 B7R0.8 NCCCP(=O)(O)O SBB004184 [0,2,0,0,0,0|2,0,0]=4 221 B7R0.8 [NH3+]CCCS(C)(=O)=O SBB088827 [0,2,0,0,0,0|0,0,2]=4 222 B7R0.1 BrCCCCCCBr SBB060205 [0,2,0,0,0,0|2,0,0]=4 223 B7R0.1 C#CCNCCCC SBB300093 [0,2,0,0,0,0|2,0,0]=4 224 B7R0.1 C=CCCCCCC SBB059884 [0,2,0,0,0,0|2,0,0]=4 225 B7R0.1 C=CCSCCCC SBB058522 [0,2,0,0,0,0|1,0,0]=3 226 B7R0.1 CCCC#CCCO SBB008799 [0,2,0,0,0,0|2,0,0]=4 227 B7R0.1 CCCCC#CCO SBB008796 [0,2,0,0,0,0|2,0,0]=4 228 B7R0.1 CCCCCCC#N SBB060052 [0,2,0,0,0,0|1,0,1]=4 229 B7R0.1 CCCCCCCBr SBB059936 [0,2,0,0,0,0|2,0,0]=4 230 B7R0.1 CCCCCCCCl SBB059954 [0,2,0,0,0,0|2,0,0]=4 231 B7R0.1 CCCCCCCN SBB059985 [0,2,0,0,0,0|1,0,0]=3 232 B7R0.1 CCCCCCOC SBB061157 [0,2,0,0,0,0|1,1,0]=4 233 B7R0.1 CCCCCN=C=S SBB085742 [0,2,0,0,0,0|1,0,1]=4 234 B7R0.1 CCCCCOC=O SBB060301 [0,2,0,0,0,0|2,0,0]=4 235 B7R0.1 CCCCCSC#N SBB060089 [0,2,0,0,0,0|1,0,1]=4 236 B7R0.1 CCCCNCCC SBB059822 [0,2,0,0,0,0|2,0,0]=4 237 B7R0.1 CCCCOCCBr SBB007731 [0,2,0,0,0,0|1,1,0]=4 238 B7R0.1 CCCCOCCCl SBB059964 [0,2,0,0,0,0|1,1,0]=4 239 B7R0.1 CCCCOCCO SBB059918 [0,2,0,0,0,0|1,1,0]=4 240 B7R0.1 CCCCSCCN SBB072659 [0,2,0,0,0,0|1,0,0]=3 241 B7R0.1 CCCCSCCO SBB013616 [0,2,0,0,0,0|1,0,0]=3 242 B7R0.1 CCCCSCCS SBB057435 [0,2,0,0,0,0|1,0,0]=3 243 B7R0.1 CCCNCCC#N SBB059761 [0,2,0,0,0,0|1,0,1]=4 244 B7R0.1 CCCOCCCN SBB056585 [0,2,0,0,0,0|0,1,0]=3 245 B7R0.1 CCCSSCCC SBB058501 [0,2,0,0,0,0|2,0,0]=4 246 B7R0.1 CCNCCCCO SBB052126 [0,2,0,0,0,0|2,0,0]=4 247 B7R0.1 CCNCCNCC SBB072869 [0,2,0,0,0,0|2,0,0]=4 248 B7R0.1 COCCCN=C=S SBB085786 [0,2,0,0,0,0|0,1,1]=4 249 B7R0.1 COCCOCCCl SBB059966 [0,2,0,0,0,0|1,1,0]=4 250 B7R0.1 COCCOCCO SBB059920 [0,2,0,0,0,0|1,1,0]=4 251 B7R0.1 COCCOCCS SBB061387 [0,2,0,0,0,0|1,1,0]=4 252 B7R0.1 COCCSCCO SBB061070 [0,2,0,0,0,0|1,1,0]=4 253 B7R0.1 CSCCCN=C=S SBB066566 [0,2,0,0,0,0|0,0,1]=3 254 B7R0.1 C\C=C\CCCCC SBB059885 [0,2,0,0,0,0|2,0,0]=4 255 B7R0.1 ClCCCCCCCl SBB060213 [0,2,0,0,0,0|2,0,0]=4 256 B7R0.1 N#CCCCCCBr SBB058579 [0,2,0,0,0,0|1,0,1]=4 257 B7R0.1 N#CCCSCCO SBB069588 [0,2,0,0,0,0|0,0,2]=4 258 B7R0.1 NCCCCCCN SBB059999 [0,2,0,0,0,0|1,0,0]=3 259 B7R0.1 NCCCNCCN SBB052120 [0,2,0,0,0,0|1,0,0]=3 260 B7R0.1 NCCCNCCO SBB059810 [0,2,0,0,0,0|1,0,0]=3 261 B7R0.1 NCCSSCCN SBB003325 [0,2,0,0,0,0|1,0,0]=3 262 B7R0.1 OCCCCCCBr SBB054752 [0,2,0,0,0,0|2,0,0]=4 263 B7R0.1 OCCCCCCCl SBB060188 [0,2,0,0,0,0|2,0,0]=4 264 B7R0.1 OCCCCCCN SBB006584 [0,2,0,0,0,0|1,0,0]=3 265 B7R0.1 OCCCCCCO SBB059915 [0,2,0,0,0,0|2,0,0]=4 266 B7R0.1 OCCCCCCS SBB058615 [0,2,0,0,0,0|2,0,0]=4 267 B5R1.1 C1CSCN1 SBB111928 [1,0,0,1,0,0|0,0,0]=2 268 B5R1.2 OC1CNC1 SBB056270 [1,0,0,1,0,0|2,0,0]=4 269 B5R1.3 BrCC1CC1 SBB054967 [1,0,0,1,0,0|1,0,0]=3 270 B5R1.3 NCC1CC1 SBB047771 [1,0,0,1,0,0|0,0,0]=2 271 B5R1.3 OCC1CC1 SBB059473 [1,0,0,1,0,0|1,0,0]=3 272 B7R1.1 BrCC1CCCC1 SBB054968 [0,1,0,1,0,0|2,0,0]=4 273 B7R1.1 BrCC1CCCO1 SBB003909 [0,1,0,1,0,0|2,0,0]=4 274 B7R1.1 CSC1=NCCN1 SBB055871 [0,1,0,1,0,0|0,0,1]=3 275 B7R1.1 ClCC1CCCN1 SBB018633 [0,1,0,1,0,0|1,0,0]=3 276 B7R1.1 ClCC1CCCO1 SBB008957 [0,1,0,1,0,0|2,0,0]=4 277 B7R1.1 N#CC1CCCC1 SBB008886 [0,1,0,1,0,0|1,0,1]=4 278 B7R1.1 N1CCN=C1SC SBB037853 [0,1,0,1,0,0|0,0,1]=3 279 B7R1.1 NCC1CCCO1 SBB028168 [0,1,0,1,0,0|1,0,0]=3 280 B7R1.1 NNC1CCCC1 SBB301621 [0,1,0,1,0,0|1,0,0]=3 281 B7R1.1 O=CC1CCCC1 SBB069481 [0,1,0,1,0,0|2,0,0]=4 282 B7R1.1 O=CC1CCOC1 SBB052278 [0,1,0,1,0,0|1,1,0]=4 283 B7R1.1 OCC1CCCC1 SBB008516 [0,1,0,1,0,0|2,0,0]=4 284 B7R1.1 OCC1CCCO1 SBB058567 [0,1,0,1,0,0|2,0,0]=4 285 B7R1.1 OCC1CCNC1 SBB046413 [0,1,0,1,0,0|2,0,0]=4 286 B7R1.1 OC[C@H]1CCCN1 SBB027252 [0,1,0,1,0,0|1,0,0]=3 287 B7R1.3 BrC1CCCCC1 SBB059944 [0,1,0,1,0,0|2,0,0]=4 288 B7R1.3 BrC1CCNCC1 SBB054613 [0,1,0,1,0,0|1,0,0]=3 289 B7R1.3 CC1CC=CCC1 SBB060473 [0,1,0,1,0,0|2,0,0]=4 290 B7R1.3 CC1CCCCC1 SBB061163 [0,1,0,1,0,0|2,0,0]=4 291 B7R1.3 CC1SCCCS1 SBB056211 [0,1,0,1,0,0|1,0,0]=3 292 B7R1.3 CN1CCCCC1 SBB060237 [0,1,0,1,0,0|1,0,0]=3 293 B7R1.3 CN1CCOCC1 SBB061013 [0,1,0,1,0,0|2,0,0]=4 294 B7R1.3 ClC1CCOCC1 SBB070678 [0,1,0,1,0,0|1,1,0]=4 295 B7R1.3 FC1CCCNC1 SBB070684 [0,1,0,1,0,0|1,0,0]=3 296 B7R1.3 FC1CCNCC1 SBB070685 [0,1,0,1,0,0|1,0,0]=3 297 B7R1.3 N1CCC(C)CC1 SBB027302 [0,1,0,1,0,0|1,0,0]=3 298 B7R1.3 N1CCCC(C)C1 SBB027301 [0,1,0,1,0,0|1,0,0]=3 299 B7R1.3 N1CCCC(O)C1 SBB004193 [0,1,0,1,0,0|1,0,0]=3 300 B7R1.3 N1CCCCC1C SBB027300 [0,1,0,1,0,0|1,0,0]=3 301 B7R1.3 N1CCN(C)CC1 SBB027304 [0,1,0,1,0,0|2,0,0]=4 302 B7R1.3 N1CCNC(C)C1 SBB027299 [0,1,0,1,0,0|1,0,0]=3 303 B7R1.3 NC1CCCCC1 SBB040492 [0,1,0,1,0,0|1,0,0]=3 304 B7R1.3 NC1CCCNC1 SBB052004 [0,1,0,1,0,0|1,0,0]=3 305 B7R1.3 NC1CCCOC1 SBB012974 [0,1,0,1,0,0|0,1,0]=3 306 B7R1.3 NC1CCNCC1 SBB028166 [0,1,0,1,0,0|1,0,0]=3 307 B7R1.3 NC1CCOCC1 SBB014873 [0,1,0,1,0,0|0,1,0]=3 308 B7R1.3 NC1CCOCC1 SBB069906 [0,1,0,1,0,0|0,1,0]=3 309 B7R1.3 NN1CCCCC1 SBB067336 [0,1,0,1,0,0|1,0,0]=3 310 B7R1.3 NN1CCOCC1 SBB004363 [0,1,0,1,0,0|1,1,0]=4 311 B7R1.3 N[C@@H]1CCCNC1 SBB069744 [0,1,0,1,0,0|1,0,0]=3 312 B7R1.3 N[C@H]1CCCNC1 SBB017596 [0,1,0,1,0,0|1,0,0]=3 313 B7R1.3 O=C1CCCCC1 SBB060074 [0,1,0,1,0,0|2,0,0]=4 314 B7R1.3 O=C1CCSCC1 SBB048121 [0,1,0,1,0,0|1,0,1]=4 315 B7R1.3 O=C1CNCCN1 SBB000034 [0,1,0,1,0,0|2,0,0]=4 316 B7R1.3 OC1CCCCC1 SBB060483 [0,1,0,1,0,0|2,0,0]=4 317 B7R1.3 OC1CCCCO1 SBB055947 [0,1,0,1,0,0|1,1,0]=4 318 B7R1.3 OC1CCCNC1 SBB027351 [0,1,0,1,0,0|1,0,0]=3 319 B7R1.3 OC1CCNCC1 SBB027346 [0,1,0,1,0,0|1,0,0]=3 320 B7R1.3 OC1CCOCC1 SBB055945 [0,1,0,1,0,0|1,1,0]=4 321 B7R1.3 S=C1NCCCN1 SBB017542 [0,1,0,1,0,0|1,0,1]=4 322 B7R1.3 S=C1NCCCS1 SBB085843 [0,1,0,1,0,0|0,0,1]=3 323 B7R1.3 SC1=NCCCN1 SBB039536 [0,1,0,1,0,0|1,0,1]=4 324 B7R1.4 BrC1CCCC1Br SBB060684 [0,1,0,1,0,0|2,0,0]=4 325 B7R1.4 CN1CCCC1=O SBB060297 [0,1,0,1,0,0|2,0,0]=4 326 B7R1.4 ClC1CCCC1Cl SBB060212 [0,1,0,1,0,0|2,0,0]=4 327 B7R1.4 NC1CCOC1=O SBB004366 [0,1,0,1,0,0|0,1,1]=4 328 B7R1.4 NC1CCOC1=O SBB057192 [0,1,0,1,0,0|0,1,1]=4 329 B7R1.4 NC1CCSC1=O SBB004035 [0,1,0,1,0,0|0,0,1]=3 330 B7R1.4 N[C@@H]1CSC[C@H]1O SBB014689 [0,1,0,1,0,0|0,0,0]=2 331 B7R1.4 OC1CCCC1Cl SBB060196 [0,1,0,1,0,0|2,0,0]=4 332 B7R1.4 O[C@H]1CCC[C@H]1O SBB008502 [0,1,0,1,0,0|2,0,0]=4 333 B7R1.6 N#CCC1CCC1 SBB071683 [0,1,0,1,0,0|1,0,1]=4 334 B7R1.10 C=C1CC(CN)C1 SBB052508 [0,1,0,1,0,0|1,0,0]=3 335 B7R1.10 O=C1CC(CO)C1 SBB054867 [0,1,0,1,0,0|2,0,0]=4 336 B7R1.22 COC(=O)C1CN1 SBB054042 [0,1,0,1,0,0|0,1,1]=4 337 B7R1.25 CC1(CN)COC1 SBB303303 [0,1,0,1,0,0|0,1,0]=3 338 B7R1.25 CC1(CO)COC1 SBB006512 [0,1,0,1,0,0|1,1,0]=4 339 B7R1.25 CC1(CO)COC1 SBB009078 [0,1,0,1,0,0|1,1,0]=4 340 B7R1.7 CCCCC1CO1 SBB017137 [0,1,0,1,0,0|1,1,0]=4 341 B7R1.14 CC1(C)COCN1 SBB059841 [0,1,0,1,0,0|2,0,0]=4 342 B7R1.14 FC1(F)CCNC1 SBB086302 [0,1,0,1,0,0|2,0,0]=4 343 B7R1.18 NC(=O)C1CCC1 SBB111823 [0,1,0,1,0,0|1,0,1]=4 344 B7R1.18 O=C(O)C1CCN1 SBB053470 [0,1,0,1,0,0|2,0,0]=4 345 B7R1.18 O=C(O)[C@@H]1CCN1 SBB004365 [0,1,0,1,0,0|2,0,0]=4 346 B7R1.24 C1=CCCCCC1 SBB059889 [0,1,0,1,0,0|2,0,0]=4 347 B7R1.24 C1CCCCCC1 SBB060406 [0,1,0,1,0,0|2,0,0]=4 348 B7R1.24 C1CNCCNC1 SBB004367 [0,1,0,1,0,0|1,0,0]=3 349 B7R1.24 C1CNCCOC1 SBB049498 [0,1,0,1,0,0|0,1,0]=3 350 B7R1.24 N1CCCCCC1 SBB027297 [0,1,0,1,0,0|1,0,0]=3