0 B4R0.2 C#CCCBr F11435 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.2 C#CCCO 24606 [0,0,0,0,0,0|2,0,2]=4 2 B4R0.2 C#CCNC 76738 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.2 C#CCOC AT19953 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.2 C=CCCBr D78125 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.2 C=CCCC FD10489 [0,0,0,0,0,0|1,0,2]=3 6 B4R0.2 C=CCCCl 43989 [0,0,0,0,0,0|2,0,2]=4 7 B4R0.2 C=CCCN 68196 [0,0,0,0,0,0|2,0,2]=4 8 B4R0.2 C=CCCO P16638 [0,0,0,0,0,0|2,0,2]=4 9 B4R0.2 C=CCNC F21270 [0,0,0,0,0,0|2,0,2]=4 10 B4R0.2 C=CCOC D88491 [0,0,0,0,0,0|2,0,2]=4 11 B4R0.2 C=CCSC D88380 [0,0,0,0,0,0|2,0,2]=4 12 B4R0.2 C=COCC P19610 [0,0,0,0,0,0|0,1,2]=3 13 B4R0.2 CC#CCBr 75180 [0,0,0,0,0,0|2,0,1]=3 14 B4R0.2 CC#CCO 75486 [0,0,0,0,0,0|2,0,1]=3 15 B4R0.2 CCCNC A10770 [0,0,0,0,0,0|2,0,0]=2 16 B4R0.2 CCCNN C10870 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.2 CCN=C=S D94745 [0,0,0,0,0,0|2,0,1]=3 18 B4R0.2 CCNC=O F19558 [0,0,0,0,0,0|2,0,1]=3 19 B4R0.2 CCNCC D78025 [0,0,0,0,0,0|1,0,0]=1 20 B4R0.2 CCNCC D89842 [0,0,0,0,0,0|1,0,0]=1 21 B4R0.2 CCNCC D90318 [0,0,0,0,0,0|1,0,0]=1 22 B4R0.2 CCNOC D80678 [0,0,0,0,0,0|2,0,0]=2 23 B4R0.2 CCOCCl D89215 [0,0,0,0,0,0|1,1,0]=2 24 B4R0.2 CNCC#N 36732 [0,0,0,0,0,0|3,0,1]=4 25 B4R0.2 CNCCBr F13405 [0,0,0,0,0,0|3,0,0]=3 26 B4R0.2 CNCCCl 71064 [0,0,0,0,0,0|3,0,0]=3 27 B4R0.2 CNCCN D76853 [0,0,0,0,0,0|3,0,0]=3 28 B4R0.2 CNCCN SC1801 [0,0,0,0,0,0|3,0,0]=3 29 B4R0.2 COCC#N 35354 [0,0,0,0,0,0|3,0,1]=4 30 B4R0.2 COCCBr P19803 [0,0,0,0,0,0|3,0,0]=3 31 B4R0.2 COCCN F14847 [0,0,0,0,0,0|3,0,0]=3 32 B4R0.2 CSCC#N D91408 [0,0,0,0,0,0|3,0,1]=4 33 B4R0.2 CSCCBr 79497 [0,0,0,0,0,0|3,0,0]=3 34 B4R0.2 CSCCO 28828 [0,0,0,0,0,0|3,0,0]=3 35 B4R0.2 CSCSC D88765 [0,0,0,0,0,0|3,0,0]=3 36 B4R0.2 CSSSC D90187 [0,0,0,0,0,0|2,0,0]=2 37 B4R0.2 C\C=C/CC D91891 [0,0,0,0,0,0|1,0,1]=2 38 B4R0.2 C\C=C\OC 28751 [0,0,0,0,0,0|2,0,1]=3 39 B4R0.2 ClCCCI AC1314 [0,0,0,0,0,0|3,0,0]=3 40 B4R0.2 Cl\C=C\CCl A11332 [0,0,0,0,0,0|3,0,1]=4 41 B4R0.2 FCCCI S11237 [0,0,0,0,0,0|3,0,0]=3 42 B4R0.2 ICCCI A10836 [0,0,0,0,0,0|3,0,0]=3 43 B4R0.2 N#CCCBr 13138 [0,0,0,0,0,0|3,0,1]=4 44 B4R0.2 N#CCCN D77355 [0,0,0,0,0,0|3,0,1]=4 45 B4R0.2 N#CCCO D77638 [0,0,0,0,0,0|3,0,1]=4 46 B4R0.2 N#CCCS A10937 [0,0,0,0,0,0|3,0,1]=4 47 B4R0.2 NCCCBr AC7868 [0,0,0,0,0,0|3,0,0]=3 48 B4R0.2 NCCCCl D70608 [0,0,0,0,0,0|3,0,0]=3 49 B4R0.2 NCCCO D77871 [0,0,0,0,0,0|3,0,0]=3 50 B4R0.2 NCCON SC1781 [0,0,0,0,0,0|4,0,0]=4 51 B4R0.2 NNCCO D77684 [0,0,0,0,0,0|4,0,0]=4 52 B4R0.2 NOCCO 32348 [0,0,0,0,0,0|4,0,0]=4 53 B4R0.2 OCCCBr 36754 [0,0,0,0,0,0|3,0,0]=3 54 B4R0.2 OCCCF 61100 [0,0,0,0,0,0|3,0,0]=3 55 B4R0.2 OCCCI 75858 [0,0,0,0,0,0|3,0,0]=3 56 B4R0.2 SCCCS F20376 [0,0,0,0,0,0|3,0,0]=3 57 B3R0.1 C#CCBr 28449 [1,0,0,0,0,0|1,0,2]=4 58 B3R0.1 C#CCN 65315 [1,0,0,0,0,0|1,0,2]=4 59 B3R0.1 C#CCN RB8001 [1,0,0,0,0,0|1,0,2]=4 60 B3R0.1 C=CCC F17161 [1,0,0,0,0,0|0,0,2]=3 61 B3R0.1 C=CCI D78530 [1,0,0,0,0,0|1,0,2]=4 62 B3R0.1 C=CC[Pd+] F10003 [1,0,0,0,0,0|1,0,2]=4 63 B3R0.1 CCCN D74104 [1,0,0,0,0,0|1,0,0]=2 64 B3R0.1 CCCN D80322 [1,0,0,0,0,0|1,0,0]=2 65 B3R0.1 CCNC 28743 [1,0,0,0,0,0|1,0,0]=2 66 B3R0.1 CCNC D78313 [1,0,0,0,0,0|1,0,0]=2 67 B3R0.1 CCNN D93746 [1,0,0,0,0,0|2,0,0]=3 68 B3R0.1 CCNO 77594 [1,0,0,0,0,0|2,0,0]=3 69 B3R0.1 CCON 35725 [1,0,0,0,0,0|1,1,0]=3 70 B3R0.1 CCSC D90442 [1,0,0,0,0,0|0,0,0]=1 71 B3R0.1 CNNC F14608 [1,0,0,0,0,0|2,0,0]=3 72 B3R0.1 CNOC 60204 [1,0,0,0,0,0|1,1,0]=3 73 B3R0.1 COCBr D78328 [1,0,0,0,0,0|1,1,0]=3 74 B3R0.1 CSCCl F20413 [1,0,0,0,0,0|1,0,0]=2 75 B3R0.1 C\C=N\O F13401 [1,0,0,0,0,0|2,0,1]=4 76 B3R0.1 ClCCBr D95298 [1,0,0,0,0,0|2,0,0]=3 77 B3R0.1 FCCI 29129 [1,0,0,0,0,0|2,0,0]=3 78 B3R0.1 ICCI D70963 [1,0,0,0,0,0|2,0,0]=3 79 B3R0.1 N#CCBr D88745 [1,0,0,0,0,0|2,0,1]=4 80 B3R0.1 N#CCF P18220 [1,0,0,0,0,0|2,0,1]=4 81 B3R0.1 N#CCI C10929 [1,0,0,0,0,0|2,0,1]=4 82 B3R0.1 N#CCN 28451 [1,0,0,0,0,0|2,0,1]=4 83 B3R0.1 NCCBr 12331 [1,0,0,0,0,0|2,0,0]=3 84 B3R0.1 NCCCl D70641 [1,0,0,0,0,0|2,0,0]=3 85 B3R0.1 NCCF 22877 [1,0,0,0,0,0|2,0,0]=3 86 B3R0.1 NCCN T72638 [1,0,0,0,0,0|2,0,0]=3 87 B3R0.1 NCCO F17546 [1,0,0,0,0,0|2,0,0]=3 88 B3R0.1 NCCO P20022 [1,0,0,0,0,0|2,0,0]=3 89 B3R0.1 NCCS D70222 [1,0,0,0,0,0|2,0,0]=3 90 B3R0.1 NCCS D88299 [1,0,0,0,0,0|2,0,0]=3 91 B3R0.1 SCCS D78347 [1,0,0,0,0,0|2,0,0]=3 92 B5R0.1 C=C(C)CCBr 80247 [0,1,0,0,0,0|2,0,1]=4 93 B5R0.1 C=C(C)OCC 78535 [0,1,0,0,0,0|0,1,1]=3 94 B5R0.1 C=CC[C@H](C)O D92157 [0,1,0,0,0,0|1,0,2]=4 95 B5R0.1 CC(=O)CCCl F20480 [0,1,0,0,0,0|2,0,1]=4 96 B5R0.1 CC(=O)CCO 55787 [0,1,0,0,0,0|2,0,1]=4 97 B5R0.1 CC(=O)NCO FD10622 [0,1,0,0,0,0|2,0,1]=4 98 B5R0.1 CC(=O)OCBr A12670 [0,1,0,0,0,0|1,1,1]=4 99 B5R0.1 CC(=O)OCCl D78132 [0,1,0,0,0,0|1,1,1]=4 100 B5R0.1 CC(C)=CCBr 75658 [0,1,0,0,0,0|2,0,1]=4 101 B5R0.1 CC(C)=CCO F20316 [0,1,0,0,0,0|2,0,1]=4 102 B5R0.1 CC(C)CC#N 30285 [0,1,0,0,0,0|2,0,1]=4 103 B5R0.1 CC(C)CNN 86152 [0,1,0,0,0,0|3,0,0]=4 104 B5R0.1 CC(C)CON H10571 [0,1,0,0,0,0|3,0,0]=4 105 B5R0.1 CC(C)N=C=S 28415 [0,1,0,0,0,0|2,0,1]=4 106 B5R0.1 CC=C[C@H](C)O D84201 [0,1,0,0,0,0|1,0,1]=3 107 B5R0.1 CCCB(O)O 33060 [0,1,0,0,0,0|3,0,0]=4 108 B5R0.1 CCCC(=N)N W10324 [0,1,0,0,0,0|2,0,1]=4 109 B5R0.1 CCCC(=O)[O-] D84277 [0,1,0,0,0,0|2,0,1]=4 110 B5R0.1 CCCC(N)=O D70204 [0,1,0,0,0,0|2,0,1]=4 111 B5R0.1 CCC[C@H](C)N 28967 [0,1,0,0,0,0|1,0,0]=2 112 B5R0.1 CCC[C@H](C)O RB3003 [0,1,0,0,0,0|1,0,0]=2 113 B5R0.1 CCC[C@H](C)O T72186 [0,1,0,0,0,0|1,0,0]=2 114 B5R0.1 CCC[N+](=O)[O-] D97683 [0,1,0,0,0,0|3,0,0]=4 115 B5R0.1 CCNC(C)=O AC2513 [0,1,0,0,0,0|1,0,1]=3 116 B5R0.1 CCNC(C)C D77967 [0,1,0,0,0,0|1,0,0]=2 117 B5R0.1 CCNC(N)=O D95291 [0,1,0,0,0,0|2,0,1]=4 118 B5R0.1 CCOC(=S)[S-] D78138 [0,1,0,0,0,0|1,1,1]=4 119 B5R0.1 CCOC(=S)[S-] D90455 [0,1,0,0,0,0|1,1,1]=4 120 B5R0.1 CCOC(C)=N D70134 [0,1,0,0,0,0|0,1,1]=3 121 B5R0.1 CCOC(N)=O F21294 [0,1,0,0,0,0|1,1,1]=4 122 B5R0.1 CCO[SiH](C)C I11477 [0,1,0,0,0,0|0,2,0]=3 123 B5R0.1 CCSC(=N)N D86401 [0,1,0,0,0,0|1,0,1]=3 124 B5R0.1 CCSC(C)=O H11301 [0,1,0,0,0,0|0,0,1]=2 125 B5R0.1 CC[O+]=C(N)N 35842 [0,1,0,0,0,0|1,1,1]=4 126 B5R0.1 CN(C)CCBr O10701 [0,1,0,0,0,0|3,0,0]=4 127 B5R0.1 CN(C)CCCl D77997 [0,1,0,0,0,0|3,0,0]=4 128 B5R0.1 CN(C)CCN S12293 [0,1,0,0,0,0|3,0,0]=4 129 B5R0.1 CN(C)CCS 35911 [0,1,0,0,0,0|3,0,0]=4 130 B5R0.1 COCC(C)=O D91400 [0,1,0,0,0,0|2,0,1]=4 131 B5R0.1 COC[C@H](C)O 35103 [0,1,0,0,0,0|2,0,0]=3 132 B5R0.1 COC[C@H](C)O O10158 [0,1,0,0,0,0|2,0,0]=3 133 B5R0.1 CSC[S@](C)=O 63104 [0,1,0,0,0,0|3,0,0]=4 134 B5R0.1 C[C@H](Br)CC#N D88813 [0,1,0,0,0,0|2,0,1]=4 135 B5R0.1 C[C@H](Cl)CCCl D89632 [0,1,0,0,0,0|2,0,0]=3 136 B5R0.1 C[C@H](N)CC#N N12426 [0,1,0,0,0,0|2,0,1]=4 137 B5R0.1 C[C@H](N)CCO 36141 [0,1,0,0,0,0|2,0,0]=3 138 B5R0.1 C[C@H](N)CCO 36142 [0,1,0,0,0,0|2,0,0]=3 139 B5R0.1 C[C@H](N)CCO F11725 [0,1,0,0,0,0|2,0,0]=3 140 B5R0.1 C[C@H](O)CCO 55765 [0,1,0,0,0,0|2,0,0]=3 141 B5R0.1 C[C@H](O)CCO O10183 [0,1,0,0,0,0|2,0,0]=3 142 B5R0.1 C[C@H](O)CNN 71999 [0,1,0,0,0,0|3,0,0]=4 143 B5R0.1 C[NH2+]CC(C)C D91375 [0,1,0,0,0,0|2,0,0]=3 144 B5R0.1 C\C=C\C(C)=O F17125 [0,1,0,0,0,0|1,0,2]=4 145 B5R0.2 BrCCCCBr D77910 [0,1,0,0,0,0|2,0,0]=3 146 B5R0.2 BrC\C=C\CBr D72529 [0,1,0,0,0,0|2,0,1]=4 147 B5R0.2 BrC\C=C\CBr F16803 [0,1,0,0,0,0|2,0,1]=4 148 B5R0.2 C#CCCCC 75209 [0,1,0,0,0,0|1,0,1]=3 149 B5R0.2 C#CCCCCl 76259 [0,1,0,0,0,0|1,0,2]=4 150 B5R0.2 C#CCCCO 32105 [0,1,0,0,0,0|1,0,2]=4 151 B5R0.2 C=CCCCBr 78391 [0,1,0,0,0,0|1,0,2]=4 152 B5R0.2 C=CCCCCl O11411 [0,1,0,0,0,0|1,0,2]=4 153 B5R0.2 C=CCCCN 68255 [0,1,0,0,0,0|1,0,2]=4 154 B5R0.2 C=CCCCN 86153 [0,1,0,0,0,0|1,0,2]=4 155 B5R0.2 C=CCCCO 76184 [0,1,0,0,0,0|1,0,2]=4 156 B5R0.2 C=CCSSC D88486 [0,1,0,0,0,0|1,0,1]=3 157 B5R0.2 C=COCCO D78209 [0,1,0,0,0,0|0,1,2]=4 158 B5R0.2 CCC#CCO F19221 [0,1,0,0,0,0|1,0,1]=3 159 B5R0.2 CCCCNN F17594 [0,1,0,0,0,0|2,0,0]=3 160 B5R0.2 CCCCON H11431 [0,1,0,0,0,0|2,0,0]=3 161 B5R0.2 CCCNCC F21346 [0,1,0,0,0,0|1,0,0]=2 162 B5R0.2 CCNCCN AB11316 [0,1,0,0,0,0|1,0,0]=2 163 B5R0.2 CCNCCO 20098 [0,1,0,0,0,0|1,0,0]=2 164 B5R0.2 CCOCCCl 29431 [0,1,0,0,0,0|0,1,0]=2 165 B5R0.2 CCSCCCl D89330 [0,1,0,0,0,0|0,0,0]=1 166 B5R0.2 CCSSCC D89662 [0,1,0,0,0,0|0,0,0]=1 167 B5R0.2 CC\C=C\C#N D92033 [0,1,0,0,0,0|1,0,2]=4 168 B5R0.2 CC\C=C\C=O 11553 [0,1,0,0,0,0|1,0,2]=4 169 B5R0.2 CNCCC#N 75878 [0,1,0,0,0,0|2,0,1]=4 170 B5R0.2 CNCCCCl F16501 [0,1,0,0,0,0|2,0,0]=3 171 B5R0.2 CNCCCN 37144 [0,1,0,0,0,0|2,0,0]=3 172 B5R0.2 CNCCCO 36133 [0,1,0,0,0,0|2,0,0]=3 173 B5R0.2 CNCCNC 39416 [0,1,0,0,0,0|2,0,0]=3 174 B5R0.2 CNCCOC D70346 [0,1,0,0,0,0|2,0,0]=3 175 B5R0.2 CNCCSC AC2521 [0,1,0,0,0,0|2,0,0]=3 176 B5R0.2 COCCC#N D71223 [0,1,0,0,0,0|2,0,1]=4 177 B5R0.2 COCCCBr F11235 [0,1,0,0,0,0|2,0,0]=3 178 B5R0.2 COCCCCl H11766 [0,1,0,0,0,0|2,0,0]=3 179 B5R0.2 COCCCN D81053 [0,1,0,0,0,0|2,0,0]=3 180 B5R0.2 COCCNN 72234 [0,1,0,0,0,0|3,0,0]=4 181 B5R0.2 COCCOC D81126 [0,1,0,0,0,0|2,0,0]=3 182 B5R0.2 COCCOC D83907 [0,1,0,0,0,0|2,0,0]=3 183 B5R0.2 COCCOC F16635 [0,1,0,0,0,0|2,0,0]=3 184 B5R0.2 COCCON D82747 [0,1,0,0,0,0|3,0,0]=4 185 B5R0.2 CSCCCO 79218 [0,1,0,0,0,0|2,0,0]=3 186 B5R0.2 CSCCC[NH3+] D91382 [0,1,0,0,0,0|2,0,0]=3 187 B5R0.2 C\C=C/CCC D90857 [0,1,0,0,0,0|1,0,1]=3 188 B5R0.2 ClCC#CCCl H11321 [0,1,0,0,0,0|2,0,1]=4 189 B5R0.2 ClCCCCBr F11271 [0,1,0,0,0,0|2,0,0]=3 190 B5R0.2 ClCCCCI A10998 [0,1,0,0,0,0|2,0,0]=3 191 B5R0.2 ClCCOCCl 29087 [0,1,0,0,0,0|1,1,0]=3 192 B5R0.2 FCCCCBr D87758 [0,1,0,0,0,0|2,0,0]=3 193 B5R0.2 ICCCCI AC1274 [0,1,0,0,0,0|2,0,0]=3 194 B5R0.2 N#CCCCBr 35256 [0,1,0,0,0,0|2,0,1]=4 195 B5R0.2 N#CCCCCl 20443 [0,1,0,0,0,0|2,0,1]=4 196 B5R0.2 NCCCCBr 24475 [0,1,0,0,0,0|2,0,0]=3 197 B5R0.2 NCCCCN F17678 [0,1,0,0,0,0|2,0,0]=3 198 B5R0.2 NCCCCN N11902 [0,1,0,0,0,0|2,0,0]=3 199 B5R0.2 NCCCCO 51530 [0,1,0,0,0,0|2,0,0]=3 200 B5R0.2 NC\C=C/CCl C11378 [0,1,0,0,0,0|2,0,1]=4 201 B5R0.2 O=C=NCCCl D91119 [0,1,0,0,0,0|2,0,1]=4 202 B5R0.2 OCCCCBr 54526 [0,1,0,0,0,0|2,0,0]=3 203 B5R0.2 OCCCCCl F11085 [0,1,0,0,0,0|2,0,0]=3 204 B5R0.2 OCCCCI D81265 [0,1,0,0,0,0|2,0,0]=3 205 B5R0.2 OCCNCO D91013 [0,1,0,0,0,0|2,0,0]=3 206 B5R0.2 OC\C=C/CO D70059 [0,1,0,0,0,0|2,0,1]=4 207 B5R0.2 OC\C=C\CO 70835 [0,1,0,0,0,0|2,0,1]=4 208 B5R0.2 [N-]=[N+]=NCCO A12080 [0,1,0,0,0,0|3,0,0]=4 209 B5R0.3 C#C[C@@H](O)CC 75224 [0,1,0,0,0,0|1,0,2]=4 210 B5R0.3 C=C(CBr)CBr 21111 [0,1,0,0,0,0|3,0,0]=4 211 B5R0.3 C=C(CCl)CCl 23001 [0,1,0,0,0,0|3,0,0]=4 212 B5R0.3 C=C(CO)CO 35347 [0,1,0,0,0,0|3,0,0]=4 213 B5R0.3 C=C[C@@H](O)CC F15421 [0,1,0,0,0,0|1,0,2]=4 214 B5R0.3 CC(CBr)CBr 90917 [0,1,0,0,0,0|3,0,0]=4 215 B5R0.3 CC(CN)CN T72131 [0,1,0,0,0,0|3,0,0]=4 216 B5R0.3 CC(CO)CO D71170 [0,1,0,0,0,0|3,0,0]=4 217 B5R0.3 CCC(=N)NO 22901 [0,1,0,0,0,0|3,0,0]=4 218 B5R0.3 CCC(=O)CBr F10475 [0,1,0,0,0,0|2,0,0]=3 219 B5R0.3 CCC(=O)CO C75383 [0,1,0,0,0,0|2,0,0]=3 220 B5R0.3 CCC(=O)NC D91338 [0,1,0,0,0,0|2,0,0]=3 221 B5R0.3 CCC(=O)NN 20641 [0,1,0,0,0,0|3,0,0]=4 222 B5R0.3 CCC(Br)CC H11324 [0,1,0,0,0,0|1,0,0]=2 223 B5R0.3 CCC(N)CC S12161 [0,1,0,0,0,0|1,0,0]=2 224 B5R0.3 CCN(C)CC D97580 [0,1,0,0,0,0|1,0,0]=2 225 B5R0.3 CCS(=O)CC D81870 [0,1,0,0,0,0|0,0,1]=2 226 B5R0.3 CC[C@H](Br)CBr D89608 [0,1,0,0,0,0|2,0,0]=3 227 B5R0.3 CC[C@H](C)CBr A10884 [0,1,0,0,0,0|2,0,0]=3 228 B5R0.3 CC[C@H](C)CCl D89411 [0,1,0,0,0,0|2,0,0]=3 229 B5R0.3 CC[C@H](C)CI D80608 [0,1,0,0,0,0|2,0,0]=3 230 B5R0.3 CC[C@H](C)CN F16114 [0,1,0,0,0,0|2,0,0]=3 231 B5R0.3 CC[C@H](C)CO 88664 [0,1,0,0,0,0|2,0,0]=3 232 B5R0.3 CC[C@H](C)CS D91431 [0,1,0,0,0,0|2,0,0]=3 233 B5R0.3 CC[C@H](C)NC D95752 [0,1,0,0,0,0|2,0,0]=3 234 B5R0.3 CC[C@H](C)NN 72197 [0,1,0,0,0,0|3,0,0]=4 235 B5R0.3 CC[C@H](N)CO 23160 [0,1,0,0,0,0|2,0,0]=3 236 B5R0.3 CC[C@H](N)CO D87517 [0,1,0,0,0,0|2,0,0]=3 237 B5R0.3 CC[C@H](N)CO F14569 [0,1,0,0,0,0|2,0,0]=3 238 B5R0.3 CC[C@H](O)CN D97409 [0,1,0,0,0,0|2,0,0]=3 239 B5R0.3 CC[C@H](O)CO C10640 [0,1,0,0,0,0|2,0,0]=3 240 B5R0.3 CC[C@H](O)CO O10222 [0,1,0,0,0,0|2,0,0]=3 241 B5R0.3 CNC(=O)CBr H10939 [0,1,0,0,0,0|3,0,0]=4 242 B5R0.3 CNC(=O)CCl 28994 [0,1,0,0,0,0|3,0,0]=4 243 B5R0.3 CNC(=O)CN AC1534 [0,1,0,0,0,0|3,0,0]=4 244 B5R0.3 CNC(=O)CN FD21644 [0,1,0,0,0,0|3,0,0]=4 245 B5R0.3 CNC(=O)NC P17517 [0,1,0,0,0,0|3,0,0]=4 246 B5R0.3 CNC(=O)OC 29564 [0,1,0,0,0,0|3,0,0]=4 247 B5R0.3 CNC(=S)NC D97815 [0,1,0,0,0,0|3,0,0]=4 248 B5R0.3 COC(=O)CN 20047 [0,1,0,0,0,0|3,0,0]=4 249 B5R0.3 COC(=O)CO 39413 [0,1,0,0,0,0|3,0,0]=4 250 B5R0.3 CO[C@@H](C)CN 91004 [0,1,0,0,0,0|3,0,0]=4 251 B5R0.3 CO[C@@H](C)CO 29137 [0,1,0,0,0,0|3,0,0]=4 252 B5R0.3 CO[C@@H](C)CO 35966 [0,1,0,0,0,0|3,0,0]=4 253 B5R0.3 CSC(=O)SC D89996 [0,1,0,0,0,0|3,0,0]=4 254 B5R0.3 C[C@@H](CN)CO 78445 [0,1,0,0,0,0|3,0,0]=4 255 B5R0.3 C[C@@H](CN)CO AB10326 [0,1,0,0,0,0|3,0,0]=4 256 B5R0.3 ClCC(Cl)CCl D97722 [0,1,0,0,0,0|3,0,0]=4 257 B5R0.3 NC(CO)CO F10927 [0,1,0,0,0,0|3,0,0]=4 258 B5R0.3 NCC(O)CN O10345 [0,1,0,0,0,0|3,0,0]=4 259 B5R0.3 NC[C@H](O)CCl 91258 [0,1,0,0,0,0|3,0,0]=4 260 B5R0.3 NC[C@H](O)CCl F14970 [0,1,0,0,0,0|3,0,0]=4 261 B5R0.3 NC[C@H](O)CO 52095 [0,1,0,0,0,0|3,0,0]=4 262 B5R0.3 NC[C@H](O)CO CL4509 [0,1,0,0,0,0|3,0,0]=4 263 B5R0.3 NC[C@H](O)CO H10491 [0,1,0,0,0,0|3,0,0]=4 264 B5R0.3 O=C(CBr)CBr 60498 [0,1,0,0,0,0|3,0,0]=4 265 B5R0.3 O=C(CCl)CCl 73299 [0,1,0,0,0,0|3,0,0]=4 266 B5R0.3 O=C(CO)CO S12381 [0,1,0,0,0,0|3,0,0]=4 267 B5R0.3 OC(CBr)CBr 90914 [0,1,0,0,0,0|3,0,0]=4 268 B5R0.3 OCC(O)CO C13300 [0,1,0,0,0,0|3,0,0]=4 269 B5R0.3 OCC(O)CO D92249 [0,1,0,0,0,0|3,0,0]=4 270 B5R0.3 OC[C@H](Cl)CCl D89647 [0,1,0,0,0,0|3,0,0]=4 271 B5R0.3 OC[C@H](O)CBr D84178 [0,1,0,0,0,0|3,0,0]=4 272 B5R0.3 OC[C@H](O)CCl 28070 [0,1,0,0,0,0|3,0,0]=4 273 B5R0.3 OC[C@H](O)CCl 28077 [0,1,0,0,0,0|3,0,0]=4 274 B5R0.3 OC[C@H](O)CS D92320 [0,1,0,0,0,0|3,0,0]=4 275 B5R0.3 OC[C@H](S)CS D89691 [0,1,0,0,0,0|3,0,0]=4 276 B5R0.3 O[C@@H](CCl)CI D79037 [0,1,0,0,0,0|3,0,0]=4 277 B5R0.3 O[C@@H](CCl)CI D79038 [0,1,0,0,0,0|3,0,0]=4 278 B5R1.1 C1=CCNC1 23121 [0,0,0,1,0,0|1,0,2]=4 279 B5R1.1 C1=CCNC1 39302 [0,0,0,1,0,0|1,0,2]=4 280 B5R1.1 C1=CCOC1 F11214 [0,0,0,1,0,0|0,1,2]=4 281 B5R1.1 C1CCNC1 A12343 [0,0,0,1,0,0|1,0,0]=2 282 B5R1.1 C1CCNC1 D95438 [0,0,0,1,0,0|1,0,0]=2 283 B5R1.1 C1CCOC1 D97750 [0,0,0,1,0,0|0,1,0]=2 284 B5R1.1 C1CNOC1 72098 [0,0,0,1,0,0|1,1,0]=3 285 B5R1.1 C1COCO1 D89731 [0,0,0,1,0,0|1,1,0]=3 286 B5R1.1 C1CSCN1 H10192 [0,0,0,1,0,0|1,0,0]=2 287 B5R1.1 C1CSCN1 H11361 [0,0,0,1,0,0|1,0,0]=2 288 B5R1.2 BrC1CCC1 23146 [0,0,0,1,0,0|2,0,0]=3 289 B5R1.2 BrC1CNC1 70950 [0,0,0,1,0,0|3,0,0]=4 290 B5R1.2 BrC1COC1 CS1302 [0,0,0,1,0,0|3,0,0]=4 291 B5R1.2 C=C1CCC1 90960 [0,0,0,1,0,0|1,0,2]=4 292 B5R1.2 CC1CNC1 80306 [0,0,0,1,0,0|2,0,0]=3 293 B5R1.2 C[C@H]1CCN1 86769 [0,0,0,1,0,0|1,0,0]=2 294 B5R1.2 IC1COC1 66502 [0,0,0,1,0,0|3,0,0]=4 295 B5R1.2 NC1CCC1 51600 [0,0,0,1,0,0|2,0,0]=3 296 B5R1.2 NC1CCC1 F10463 [0,0,0,1,0,0|2,0,0]=3 297 B5R1.2 NC1CNC1 SC3251 [0,0,0,1,0,0|3,0,0]=4 298 B5R1.2 NC1COC1 66129 [0,0,0,1,0,0|3,0,0]=4 299 B5R1.2 NC1COC1 CS1335 [0,0,0,1,0,0|3,0,0]=4 300 B5R1.2 O=C1CCC1 24502 [0,0,0,1,0,0|2,0,1]=4 301 B5R1.2 O=C1CCN1 52806 [0,0,0,1,0,0|2,0,1]=4 302 B5R1.2 O=C1CCO1 AT19319 [0,0,0,1,0,0|1,1,1]=4 303 B5R1.2 OC1CCC1 59166 [0,0,0,1,0,0|2,0,0]=3 304 B5R1.2 OC1CNC1 52824 [0,0,0,1,0,0|3,0,0]=4 305 B5R1.2 OC1COC1 66387 [0,0,0,1,0,0|3,0,0]=4 306 B5R1.2 OC1CSC1 P17229 [0,0,0,1,0,0|3,0,0]=4 307 B5R1.3 BrCC1CC1 23011 [0,0,0,1,0,0|2,0,0]=3 308 B5R1.3 BrC[C@H]1CO1 D87836 [0,0,0,1,0,0|3,0,0]=4 309 B5R1.3 C#CC1CC1 F15427 [0,0,0,1,0,0|1,0,2]=4 310 B5R1.3 CC[C@H]1CO1 A11382 [0,0,0,1,0,0|2,0,0]=3 311 B5R1.3 CNC1CC1 83251 [0,0,0,1,0,0|2,0,0]=3 312 B5R1.3 CNC1CC1 BL006056 [0,0,0,1,0,0|2,0,0]=3 313 B5R1.3 ClCC1CC1 58186 [0,0,0,1,0,0|2,0,0]=3 314 B5R1.3 ClC[C@H]1CO1 37930 [0,0,0,1,0,0|3,0,0]=4 315 B5R1.3 NCC1CC1 F11902 [0,0,0,1,0,0|2,0,0]=3 316 B5R1.3 O=CC1CC1 82833 [0,0,0,1,0,0|2,0,1]=4 317 B5R1.3 OC[C@H]1CO1 23077 [0,0,0,1,0,0|3,0,0]=4 318 B5R1.3 OC[C@H]1CO1 A10767 [0,0,0,1,0,0|3,0,0]=4 319 B5R1.3 OC[C@H]1CO1 H11320 [0,0,0,1,0,0|3,0,0]=4 320 B5R1.4 N[C@@H]1C[C@@H]1F P19427 [0,0,0,1,0,0|3,0,0]=4 321 B2R0.1 BrCI S11031 [2,0,0,0,0,0|2,0,0]=4 322 B2R0.1 CC#N 34239 [2,0,0,0,0,0|1,0,1]=4 323 B2R0.1 CC=O D78540 [2,0,0,0,0,0|0,1,1]=4 324 B2R0.1 CC[O-] D78336 [2,0,0,0,0,0|0,1,0]=3 325 B2R0.1 CC[S-] H10136 [2,0,0,0,0,0|0,0,1]=3 326 B2R0.1 CNO 77593 [2,0,0,0,0,0|1,1,0]=4 327 B2R0.1 CON C93493 [2,0,0,0,0,0|1,1,0]=4 328 B2R0.1 C[SnH4+2]C D90313 [2,0,0,0,0,0|1,0,0]=3 329 B2R0.1 C[SnH4+2]C H11302 [2,0,0,0,0,0|1,0,0]=3 330 B2R0.1 ClCI D78022 [2,0,0,0,0,0|2,0,0]=4 331 B2R0.1 [2H]OC D95537 [2,0,0,0,0,0|1,1,0]=4 332 B4R0.1 C#CC(C)C 22832 [1,1,0,0,0,0|0,0,2]=4 333 B4R0.1 C#C[C@H](C)N P17981 [1,1,0,0,0,0|0,0,2]=4 334 B4R0.1 C#C[C@H](C)O 55689 [1,1,0,0,0,0|0,0,2]=4 335 B4R0.1 C#C[C@H](C)O F17654 [1,1,0,0,0,0|0,0,2]=4 336 B4R0.1 C=C(C)CBr 29319 [1,1,0,0,0,0|1,0,1]=4 337 B4R0.1 C=C(C)CN 29496 [1,1,0,0,0,0|1,0,1]=4 338 B4R0.1 C=C(C)CO H10780 [1,1,0,0,0,0|1,0,1]=4 339 B4R0.1 C=C[C@H](C)O W13854 [1,1,0,0,0,0|0,0,2]=4 340 B4R0.1 CC(=O)CBr 76485 [1,1,0,0,0,0|1,0,1]=4 341 B4R0.1 CC(=O)CN 24448 [1,1,0,0,0,0|1,0,1]=4 342 B4R0.1 CC(C)CN D70621 [1,1,0,0,0,0|1,0,0]=3 343 B4R0.1 CC(C)NN 35766 [1,1,0,0,0,0|2,0,0]=4 344 B4R0.1 CC(C)NN C10400 [1,1,0,0,0,0|2,0,0]=4 345 B4R0.1 CC(C)NO 77595 [1,1,0,0,0,0|2,0,0]=4 346 B4R0.1 CC(C)ON 77602 [1,1,0,0,0,0|1,1,0]=4 347 B4R0.1 CCB(O)O 33051 [1,1,0,0,0,0|2,0,0]=4 348 B4R0.1 CCC(=N)N 65202 [1,1,0,0,0,0|1,0,1]=4 349 B4R0.1 CCC(N)=O O12053 [1,1,0,0,0,0|1,0,1]=4 350 B4R0.1 CCC(N)=S AT14776 [1,1,0,0,0,0|1,0,1]=4 351 B4R0.1 CC[C@H](C)O 70716 [1,1,0,0,0,0|0,0,0]=2 352 B4R0.1 CC[C@H](C)O 70832 [1,1,0,0,0,0|0,0,0]=2 353 B4R0.1 CC[S@](=O)[O-] F16489 [1,1,0,0,0,0|1,0,1]=4 354 B4R0.1 CNC(C)C 39417 [1,1,0,0,0,0|1,0,0]=3 355 B4R0.1 CNN(C)C 66800 [1,1,0,0,0,0|2,0,0]=4 356 B4R0.1 COC(Cl)Cl D87753 [1,1,0,0,0,0|1,1,0]=4 357 B4R0.1 CSC(=N)N 20543 [1,1,0,0,0,0|1,0,1]=4 358 B4R0.1 CSC(=N)N E70432 [1,1,0,0,0,0|1,0,1]=4 359 B4R0.1 CSC(C)=O D82067 [1,1,0,0,0,0|0,0,1]=3 360 B4R0.1 C[C@H](Br)C#N S12043 [1,1,0,0,0,0|1,0,1]=4 361 B4R0.1 C[C@H](Cl)CO H11590 [1,1,0,0,0,0|1,0,0]=3 362 B4R0.1 C[C@H](Cl)CO O10168 [1,1,0,0,0,0|1,0,0]=3 363 B4R0.1 C[C@H](N)CN 35106 [1,1,0,0,0,0|1,0,0]=3 364 B4R0.1 C[C@H](N)CN P20461 [1,1,0,0,0,0|1,0,0]=3 365 B4R0.1 C[C@H](N)CO 28476 [1,1,0,0,0,0|1,0,0]=3 366 B4R0.1 C[C@H](N)CO 29970 [1,1,0,0,0,0|1,0,0]=3 367 B4R0.1 C[C@H](N)CO 29971 [1,1,0,0,0,0|1,0,0]=3 368 B4R0.1 C[C@H](O)CCl C10666 [1,1,0,0,0,0|1,0,0]=3 369 B4R0.1 C[C@H](O)CCl D87799 [1,1,0,0,0,0|1,0,0]=3 370 B4R0.1 C[C@H](O)CCl H11611 [1,1,0,0,0,0|1,0,0]=3 371 B4R0.1 C[C@H](O)CN 86259 [1,1,0,0,0,0|1,0,0]=3 372 B4R0.1 C[C@H](O)CN 86301 [1,1,0,0,0,0|1,0,0]=3 373 B4R0.1 C[C@H](O)CN A10592 [1,1,0,0,0,0|1,0,0]=3 374 B4R0.1 C[C@H](O)CO A11633 [1,1,0,0,0,0|1,0,0]=3 375 B4R0.1 C[C@H](O)CO A11634 [1,1,0,0,0,0|1,0,0]=3 376 B4R0.1 FC(F)CI 30620 [1,1,0,0,0,0|2,0,0]=4 377 B4R0.1 NCC(F)F O10557 [1,1,0,0,0,0|2,0,0]=4 378 B4R0.1 OCC(F)F FD2062 [1,1,0,0,0,0|2,0,0]=4 379 B6R0.1 C=C[C@@H](O)CCC D90922 [0,2,0,0,0,0|1,0,1]=4 380 B6R0.1 CCC(=O)CC#N 28991 [0,2,0,0,0,0|1,0,1]=4 381 B6R0.1 CCCC(=O)CC D90801 [0,2,0,0,0,0|1,0,0]=3 382 B6R0.1 CCCC(=O)SC D91533 [0,2,0,0,0,0|1,0,1]=4 383 B6R0.1 CCC[C@@H](Cl)CC D76318 [0,2,0,0,0,0|1,0,0]=3 384 B6R0.1 CCC[C@H](C)CCl D89415 [0,2,0,0,0,0|1,0,0]=3 385 B6R0.1 CCC[C@H](N)CO A10468 [0,2,0,0,0,0|1,0,0]=3 386 B6R0.1 CCC[C@H](O)CO 73676 [0,2,0,0,0,0|1,0,0]=3 387 B6R0.1 CCOC(=N)CC W15737 [0,2,0,0,0,0|0,1,0]=3 388 B6R0.1 CCOC(=O)CN C93496 [0,2,0,0,0,0|0,1,1]=4 389 B6R0.1 CCOC(=O)CO 39380 [0,2,0,0,0,0|0,1,1]=4 390 B6R0.1 CCOC(=O)CS F21271 [0,2,0,0,0,0|0,1,1]=4 391 B6R0.1 CCOC(=O)NC D91332 [0,2,0,0,0,0|0,1,1]=4 392 B6R0.1 CCOC(=O)OC A11149 [0,2,0,0,0,0|0,1,1]=4 393 B6R0.1 CCO[C@@H](C)CC D88933 [0,2,0,0,0,0|0,1,0]=3 394 B6R0.1 CCO\C(C)=N\O 23036 [0,2,0,0,0,0|0,1,1]=4 395 B6R0.1 CCO\C(C)=N\O H10740 [0,2,0,0,0,0|0,1,1]=4 396 B6R0.1 CNCC(=O)NC 71568 [0,2,0,0,0,0|2,0,0]=4 397 B6R0.1 CNCC(=O)OC 73733 [0,2,0,0,0,0|2,0,0]=4 398 B6R0.1 CNC[C@H](O)CO CL4501 [0,2,0,0,0,0|2,0,0]=4 399 B6R0.1 COC(=O)CCBr AB7483 [0,2,0,0,0,0|2,0,0]=4 400 B6R0.1 COC(=O)CCCl D95821 [0,2,0,0,0,0|2,0,0]=4 401 B6R0.1 COC(=O)CCN S12362 [0,2,0,0,0,0|2,0,0]=4 402 B6R0.1 COC(=O)CCO 29940 [0,2,0,0,0,0|2,0,0]=4 403 B6R0.1 COC(=O)CCS D70327 [0,2,0,0,0,0|2,0,0]=4 404 B6R0.1 COC(=O)CSC D87959 [0,2,0,0,0,0|2,0,0]=4 405 B6R0.1 COC[C@@H](O)CO H10736 [0,2,0,0,0,0|2,0,0]=4 406 B6R0.1 COC[C@H](O)CCl D84795 [0,2,0,0,0,0|2,0,0]=4 407 B6R0.1 CO[C@@H](C)CCO D77758 [0,2,0,0,0,0|2,0,0]=4 408 B6R0.1 C[C@H](CO)CCN 78036 [0,2,0,0,0,0|2,0,0]=4 409 B6R0.1 C[C@H](CO)CCO 63982 [0,2,0,0,0,0|2,0,0]=4 410 B6R0.1 C[C@H](CO)CCO 70021 [0,2,0,0,0,0|2,0,0]=4 411 B6R0.1 C\C=C\C(=O)CC 74326 [0,2,0,0,0,0|1,0,1]=4 412 B6R0.1 OCC[C@H](O)CCl D94503 [0,2,0,0,0,0|2,0,0]=4 413 B6R0.1 OCC[C@H](O)CO 56159 [0,2,0,0,0,0|2,0,0]=4 414 B6R0.1 OCC[C@H](O)CO 56160 [0,2,0,0,0,0|2,0,0]=4 415 B6R0.1 OCC[C@H](O)CO AC2226 [0,2,0,0,0,0|2,0,0]=4 416 B6R0.1 O[C@H](CBr)CCBr F14612 [0,2,0,0,0,0|2,0,0]=4 417 B6R0.2 CC(=O)NC(C)C N12028 [0,2,0,0,0,0|1,0,1]=4 418 B6R0.2 CC(=O)O[C@H](C)Br 39292 [0,2,0,0,0,0|0,1,1]=4 419 B6R0.2 CC(=O)SC(C)=O T70772 [0,2,0,0,0,0|0,0,2]=4 420 B6R0.2 CC(C)C[C@H](C)N 40017 [0,2,0,0,0,0|1,0,0]=3 421 B6R0.2 CC(C)NC(C)C 41183 [0,2,0,0,0,0|1,0,0]=3 422 B6R0.2 CC(C)NC(C)C D89143 [0,2,0,0,0,0|1,0,0]=3 423 B6R0.2 CC(C)NC(C)C D94741 [0,2,0,0,0,0|1,0,0]=3 424 B6R0.2 CC(C)NC(C)C D95064 [0,2,0,0,0,0|1,0,0]=3 425 B6R0.2 CC(O)CC(C)O D91996 [0,2,0,0,0,0|1,0,0]=3 426 B6R0.2 C[C@H](N)CN(C)C 76719 [0,2,0,0,0,0|2,0,0]=4 427 B6R0.2 C[C@H](O)CN(C)C D93027 [0,2,0,0,0,0|2,0,0]=4 428 B6R0.2 C[C@H](O)C[C@H](C)O 73920 [0,2,0,0,0,0|1,0,0]=3 429 B6R0.2 C[C@H](O)C[C@H](C)O D74604 [0,2,0,0,0,0|1,0,0]=3 430 B6R0.2 C[C@H](O)C[C@H](C)O T72451 [0,2,0,0,0,0|1,0,0]=3 431 B6R0.3 CC(C)C(=O)CBr 24581 [0,2,0,0,0,0|2,0,0]=4 432 B6R0.3 CC(C)[C@@H](N)CO 23132 [0,2,0,0,0,0|2,0,0]=4 433 B6R0.3 CC(C)[C@@H](N)CO 39407 [0,2,0,0,0,0|2,0,0]=4 434 B6R0.3 CC(C)[C@@H](N)CO A10466 [0,2,0,0,0,0|2,0,0]=4 435 B6R0.3 CCC(=O)N(C)C A10841 [0,2,0,0,0,0|2,0,0]=4 436 B6R0.3 CCC(=O)[C@H](C)Br T71350 [0,2,0,0,0,0|1,0,0]=3 437 B6R0.3 CCC(=S)N(C)C D81484 [0,2,0,0,0,0|2,0,0]=4 438 B6R0.3 CCC(O)C(C)O D93064 [0,2,0,0,0,0|1,0,0]=3 439 B6R0.3 CC[C@H](N)[C@@H](C)O D79477 [0,2,0,0,0,0|1,0,0]=3 440 B6R0.3 COC(=O)[C@H](C)Cl 63239 [0,2,0,0,0,0|2,0,0]=4 441 B6R0.3 COC(=O)[C@H](C)Cl O10227 [0,2,0,0,0,0|2,0,0]=4 442 B6R0.3 COC(=O)[C@H](C)N AB10084 [0,2,0,0,0,0|2,0,0]=4 443 B6R0.3 COC(=O)[C@H](C)N AC7812 [0,2,0,0,0,0|2,0,0]=4 444 B6R0.3 COC(=O)[C@H](C)N FD21010 [0,2,0,0,0,0|2,0,0]=4 445 B6R0.3 COC(=O)[C@H](C)O C10549 [0,2,0,0,0,0|2,0,0]=4 446 B6R0.3 COC(=O)[C@H](C)O F11215 [0,2,0,0,0,0|2,0,0]=4 447 B6R0.3 COC(C)C(C)O 78000 [0,2,0,0,0,0|2,0,0]=4 448 B6R0.3 C[C@H](O)[C@@H](N)CO 66706 [0,2,0,0,0,0|2,0,0]=4 449 B6R0.3 C[C@H](O)[C@@H](N)CO F11954 [0,2,0,0,0,0|2,0,0]=4 450 B6R0.4 C=C(C)CNCC D95542 [0,2,0,0,0,0|1,0,0]=3 451 B6R0.4 CC(=O)CCCCl D77754 [0,2,0,0,0,0|1,0,1]=4 452 B6R0.4 CC(=O)CCCO 24602 [0,2,0,0,0,0|1,0,1]=4 453 B6R0.4 CC(=O)NCCN D70867 [0,2,0,0,0,0|1,0,1]=4 454 B6R0.4 CC(=O)NCCO FD10637 [0,2,0,0,0,0|1,0,1]=4 455 B6R0.4 CC(=O)NCCS AT13754 [0,2,0,0,0,0|1,0,1]=4 456 B6R0.4 CC(=O)OCCBr C10198 [0,2,0,0,0,0|0,1,1]=4 457 B6R0.4 CC(=O)OCCCl D88201 [0,2,0,0,0,0|0,1,1]=4 458 B6R0.4 CC(=O)OCCO D88371 [0,2,0,0,0,0|0,1,1]=4 459 B6R0.4 CC(C)=CCCBr F19983 [0,2,0,0,0,0|1,0,1]=4 460 B6R0.4 CC(C)CCCBr O10389 [0,2,0,0,0,0|1,0,0]=3 461 B6R0.4 CC(C)CCCO F20439 [0,2,0,0,0,0|1,0,0]=3 462 B6R0.4 CC(C)NCCCl 20398 [0,2,0,0,0,0|1,0,0]=3 463 B6R0.4 CC(C)NCCO D78491 [0,2,0,0,0,0|1,0,0]=3 464 B6R0.4 CCCCB(O)O 33151 [0,2,0,0,0,0|2,0,0]=4 465 B6R0.4 CCCCC(=N)N 31933 [0,2,0,0,0,0|1,0,1]=4 466 B6R0.4 CCCCC(=N)N W16181 [0,2,0,0,0,0|1,0,1]=4 467 B6R0.4 CCCCC(=O)[O-] F16484 [0,2,0,0,0,0|1,0,1]=4 468 B6R0.4 CCCCC(N)=O A10835 [0,2,0,0,0,0|1,0,1]=4 469 B6R0.4 CCCNC(C)=O D97464 [0,2,0,0,0,0|1,0,1]=4 470 B6R0.4 CCCSC(C)=O D92148 [0,2,0,0,0,0|0,0,1]=3 471 B6R0.4 CCOCC(C)C D93520 [0,2,0,0,0,0|0,1,0]=3 472 B6R0.4 CCSCC(=O)O D95699 [0,2,0,0,0,0|0,0,1]=3 473 B6R0.4 CN(C)CCCBr 25428 [0,2,0,0,0,0|2,0,0]=4 474 B6R0.4 CN(C)CCCCl 23626 [0,2,0,0,0,0|2,0,0]=4 475 B6R0.4 CN(C)CCCCl AC7814 [0,2,0,0,0,0|2,0,0]=4 476 B6R0.4 CN(C)CCCS D93440 [0,2,0,0,0,0|2,0,0]=4 477 B6R0.4 CNCCN(C)C 20029 [0,2,0,0,0,0|2,0,0]=4 478 B6R0.4 CNCCN(C)C 24589 [0,2,0,0,0,0|2,0,0]=4 479 B6R0.4 COCCN(C)C A11162 [0,2,0,0,0,0|2,0,0]=4 480 B6R0.4 CSCCC(C)=O D91573 [0,2,0,0,0,0|1,0,1]=4 481 B6R0.4 CSCOC(C)=O D88428 [0,2,0,0,0,0|0,1,1]=4 482 B6R0.4 C[C@H](Br)CCCBr F14613 [0,2,0,0,0,0|1,0,0]=3 483 B6R0.4 C[C@H](O)CCCO 22874 [0,2,0,0,0,0|1,0,0]=3 484 B6R0.4 N=C(N)SCCN D88373 [0,2,0,0,0,0|1,0,1]=4 485 B6R0.5 CC(C)(C)CCBr 29514 [0,2,0,0,0,0|2,0,0]=4 486 B6R0.5 CC(C)(C)CCCl D95900 [0,2,0,0,0,0|2,0,0]=4 487 B6R0.5 CC(C)(C)CCO 61808 [0,2,0,0,0,0|2,0,0]=4 488 B6R0.5 CC(C)(N)CCO F13529 [0,2,0,0,0,0|2,0,0]=4 489 B6R0.5 CC(C)(O)CCBr RB3141 [0,2,0,0,0,0|2,0,0]=4 490 B6R0.5 CC(C)(S)CCO D91597 [0,2,0,0,0,0|2,0,0]=4 491 B6R0.5 CCCC(C)(C)Cl H10235 [0,2,0,0,0,0|1,0,0]=3 492 B6R0.5 CCOS(C)(=O)=O H10715 [0,2,0,0,0,0|1,1,0]=4 493 B6R0.5 CNCC(C)(C)C D94980 [0,2,0,0,0,0|2,0,0]=4 494 B6R0.5 CNCC(C)(C)C F20240 [0,2,0,0,0,0|2,0,0]=4 495 B6R0.5 CNCC(C)(C)O W12311 [0,2,0,0,0,0|2,0,0]=4 496 B6R0.5 COCC(C)(C)N 28354 [0,2,0,0,0,0|2,0,0]=4 497 B6R0.5 COCC(C)(C)N 32588 [0,2,0,0,0,0|2,0,0]=4 498 B6R0.5 COCC(C)(C)O 67570 [0,2,0,0,0,0|2,0,0]=4 499 B6R0.6 BrCCCCCBr D70772 [0,2,0,0,0,0|1,0,0]=3 500 B6R0.6 BrCCOCCBr 12226 [0,2,0,0,0,0|0,1,0]=3 501 B6R0.6 C#CCCCCO F10490 [0,2,0,0,0,0|1,0,1]=4 502 B6R0.6 C#CCOCCN C70245 [0,2,0,0,0,0|0,1,1]=4 503 B6R0.6 C#CCOCCO F16468 [0,2,0,0,0,0|0,1,1]=4 504 B6R0.6 C=CCCCCBr F14895 [0,2,0,0,0,0|1,0,1]=4 505 B6R0.6 C=CCCCCCl N11935 [0,2,0,0,0,0|1,0,1]=4 506 B6R0.6 C=CCCCCO 35574 [0,2,0,0,0,0|1,0,1]=4 507 B6R0.6 CCC#CCCO F11743 [0,2,0,0,0,0|1,0,0]=3 508 B6R0.6 CCCC#CCO D90881 [0,2,0,0,0,0|1,0,1]=4 509 B6R0.6 CCCCCCI F20355 [0,2,0,0,0,0|1,0,0]=3 510 B6R0.6 CCCCCCN F19564 [0,2,0,0,0,0|1,0,0]=3 511 B6R0.6 CCCCCNC D91584 [0,2,0,0,0,0|1,0,0]=3 512 B6R0.6 CCCCN=C=S D91107 [0,2,0,0,0,0|1,0,1]=4 513 B6R0.6 CCCNCCC D89745 [0,2,0,0,0,0|1,0,0]=3 514 B6R0.6 CCCNCCO C10761 [0,2,0,0,0,0|1,0,0]=3 515 B6R0.6 CCCOCCCl H10822 [0,2,0,0,0,0|0,1,0]=3 516 B6R0.6 CCC\C=C\CO D78301 [0,2,0,0,0,0|1,0,1]=4 517 B6R0.6 CCNCCCN D82016 [0,2,0,0,0,0|1,0,0]=3 518 B6R0.6 CCNCCCO 31655 [0,2,0,0,0,0|1,0,0]=3 519 B6R0.6 CCNCCOC H11999 [0,2,0,0,0,0|1,0,0]=3 520 B6R0.6 CCOCCCCl D95770 [0,2,0,0,0,0|0,1,0]=3 521 B6R0.6 CCOCCCO D95933 [0,2,0,0,0,0|0,1,0]=3 522 B6R0.6 CC\C=C/CCO 73722 [0,2,0,0,0,0|1,0,0]=3 523 B6R0.6 CNCCCCO F10210 [0,2,0,0,0,0|1,0,0]=3 524 B6R0.6 COCCCCBr F13727 [0,2,0,0,0,0|1,0,0]=3 525 B6R0.6 COCCCCCl 28715 [0,2,0,0,0,0|1,0,0]=3 526 B6R0.6 COCCCCO D78159 [0,2,0,0,0,0|1,0,0]=3 527 B6R0.6 COCCOCCl H11303 [0,2,0,0,0,0|1,1,0]=4 528 B6R0.6 COCOCOC 75328 [0,2,0,0,0,0|0,1,0]=3 529 B6R0.6 C[NH2+]CCC[NH2+]C D90229 [0,2,0,0,0,0|1,0,0]=3 530 B6R0.6 ClCCCCCBr S10881 [0,2,0,0,0,0|1,0,0]=3 531 B6R0.6 ClCCCCCI A10955 [0,2,0,0,0,0|1,0,0]=3 532 B6R0.6 ClCCNCCCl 97536 [0,2,0,0,0,0|1,0,0]=3 533 B6R0.6 FCCCCCBr 24471 [0,2,0,0,0,0|1,0,0]=3 534 B6R0.6 ICCCCCI P10001 [0,2,0,0,0,0|1,0,0]=3 535 B6R0.6 ICCOCCI C90294 [0,2,0,0,0,0|0,1,0]=3 536 B6R0.6 N#CCCCCCl 28437 [0,2,0,0,0,0|1,0,1]=4 537 B6R0.6 N#CCCCCN S10714 [0,2,0,0,0,0|1,0,1]=4 538 B6R0.6 N#CCOCCCl 72645 [0,2,0,0,0,0|0,1,1]=4 539 B6R0.6 NCCCCCN D83408 [0,2,0,0,0,0|1,0,0]=3 540 B6R0.6 NCCCCCO I11482 [0,2,0,0,0,0|1,0,0]=3 541 B6R0.6 NCCNCCO D77720 [0,2,0,0,0,0|1,0,0]=3 542 B6R0.6 NCCOCCN 75244 [0,2,0,0,0,0|0,1,0]=3 543 B6R0.6 NCCOCCN 75301 [0,2,0,0,0,0|0,1,0]=3 544 B6R0.6 NCCOCCO C70233 [0,2,0,0,0,0|0,1,0]=3 545 B6R0.6 NCCSCCN FD10524 [0,2,0,0,0,0|0,0,0]=2 546 B6R0.6 O=CCCCCCl C10094 [0,2,0,0,0,0|1,0,1]=4 547 B6R0.6 O=CCCCCO F19841 [0,2,0,0,0,0|1,0,1]=4 548 B6R0.6 OCCCCCBr 23140 [0,2,0,0,0,0|1,0,0]=3 549 B6R0.6 OCCCCCCl O11412 [0,2,0,0,0,0|1,0,0]=3 550 B6R0.6 OCCNCCCl F50591 [0,2,0,0,0,0|1,0,0]=3 551 B6R0.6 OCCNCCO D92250 [0,2,0,0,0,0|1,0,0]=3 552 B6R0.6 OCCOCCBr S10705 [0,2,0,0,0,0|0,1,0]=3 553 B6R0.6 OCCOCCCl D72518 [0,2,0,0,0,0|0,1,0]=3 554 B6R0.6 SCCCCCS D92137 [0,2,0,0,0,0|1,0,0]=3 555 B6R0.6 SCCSCCS D91485 [0,2,0,0,0,0|0,0,0]=2 556 B6R0.8 CCS(=O)(=O)OC A10853 [0,2,0,0,0,0|1,0,1]=4 557 B6R0.9 CCC(CC)CBr D88873 [0,2,0,0,0,0|1,0,0]=3 558 B6R0.9 CCC(CC)CO D78539 [0,2,0,0,0,0|1,0,0]=3 559 B6R0.9 CCC(CC)NC 30677 [0,2,0,0,0,0|1,0,0]=3 560 B6R0.9 CCC(CC)NN AB9880 [0,2,0,0,0,0|1,0,0]=3 561 B6R0.9 CCC(CO)CO AB3752 [0,2,0,0,0,0|2,0,0]=4 562 B6R0.9 CCN(C=O)CC A10832 [0,2,0,0,0,0|1,0,0]=3 563 B6R0.9 CCN(CC)CC D78014 [0,2,0,0,0,0|1,0,0]=3 564 B6R0.9 CCN(CC)CC D92579 [0,2,0,0,0,0|1,0,0]=3 565 B6R0.9 CCN(CC)CC D94937 [0,2,0,0,0,0|1,0,0]=3 566 B6R0.9 CCN(CC)N=O F14922 [0,2,0,0,0,0|1,0,0]=3 567 B6R0.9 CCP(CC)CC D94529 [0,2,0,0,0,0|1,0,0]=3 568 B6R0.9 CC[O+](CC)CC 67663 [0,2,0,0,0,0|0,1,0]=3 569 B6R0.9 CC[SiH](CC)CC S12352 [0,2,0,0,0,0|1,0,0]=3 570 B4R1.1 C1CNC1 29084 [1,0,0,1,0,0|1,0,0]=3 571 B4R1.2 BrC1CC1 55622 [1,0,0,1,0,0|1,0,0]=3 572 B4R1.2 C[C@H]1CS1 D91944 [1,0,0,1,0,0|0,0,0]=2 573 B4R1.2 NC1CC1 P19977 [1,0,0,1,0,0|1,0,0]=3 574 B4R1.2 OC1CC1 87295 [1,0,0,1,0,0|1,0,0]=3 575 B6R1.2 Br[C@H]1CCNC1 23535 [0,1,0,1,0,0|1,0,0]=3 576 B6R1.2 Br[C@H]1CCOC1 25079 [0,1,0,1,0,0|0,1,0]=3 577 B6R1.2 CC1=NCCC1 35340 [0,1,0,1,0,0|1,0,1]=4 578 B6R1.2 CC1=NCCN1 S11926 [0,1,0,1,0,0|1,0,1]=4 579 B6R1.2 CC1=NCCO1 F16112 [0,1,0,1,0,0|0,1,1]=4 580 B6R1.2 CC1=NCCS1 D91305 [0,1,0,1,0,0|0,0,1]=3 581 B6R1.2 CN1CCCC1 D78045 [0,1,0,1,0,0|1,0,0]=3 582 B6R1.2 C[C@H]1CCCN1 11755 [0,1,0,1,0,0|1,0,0]=3 583 B6R1.2 C[C@H]1CCCN1 23331 [0,1,0,1,0,0|1,0,0]=3 584 B6R1.2 C[C@H]1CCCN1 64834 [0,1,0,1,0,0|1,0,0]=3 585 B6R1.2 C[C@H]1CCCN1 64835 [0,1,0,1,0,0|1,0,0]=3 586 B6R1.2 C[C@H]1CCCN1 64836 [0,1,0,1,0,0|1,0,0]=3 587 B6R1.2 C[C@H]1CCCS1 TD8134 [0,1,0,1,0,0|0,0,0]=2 588 B6R1.2 C[C@H]1CCNC1 69325 [0,1,0,1,0,0|1,0,0]=3 589 B6R1.2 C[C@H]1CCNC1 69329 [0,1,0,1,0,0|1,0,0]=3 590 B6R1.2 C[C@H]1CCOC1 F16704 [0,1,0,1,0,0|0,1,0]=3 591 B6R1.2 C[S+]1CCCC1 AC8164 [0,1,0,1,0,0|0,0,1]=3 592 B6R1.2 F[C@H]1CCNC1 26948 [0,1,0,1,0,0|1,0,0]=3 593 B6R1.2 F[C@H]1CCNC1 37160 [0,1,0,1,0,0|1,0,0]=3 594 B6R1.2 F[C@H]1CCNC1 83419 [0,1,0,1,0,0|1,0,0]=3 595 B6R1.2 IC1CCCC1 P10039 [0,1,0,1,0,0|1,0,0]=3 596 B6R1.2 I[C@H]1CCOC1 82009 [0,1,0,1,0,0|0,1,0]=3 597 B6R1.2 N=C1CCCS1 H10471 [0,1,0,1,0,0|0,0,1]=3 598 B6R1.2 NC1=NCCC1 23751 [0,1,0,1,0,0|1,0,1]=4 599 B6R1.2 NC1=NCCS1 H11788 [0,1,0,1,0,0|1,0,1]=4 600 B6R1.2 NC1CC=CC1 66023 [0,1,0,1,0,0|1,0,1]=4 601 B6R1.2 NC1CCCC1 22312 [0,1,0,1,0,0|1,0,0]=3 602 B6R1.2 N[C@H]1CCNC1 41400 [0,1,0,1,0,0|1,0,0]=3 603 B6R1.2 N[C@H]1CCNC1 52206 [0,1,0,1,0,0|1,0,0]=3 604 B6R1.2 N[C@H]1CCNC1 70366 [0,1,0,1,0,0|1,0,0]=3 605 B6R1.2 N[C@H]1CCNC1 N12040 [0,1,0,1,0,0|1,0,0]=3 606 B6R1.2 N[C@H]1CCNC1 S10941 [0,1,0,1,0,0|1,0,0]=3 607 B6R1.2 N[C@H]1CCNC1 T70189 [0,1,0,1,0,0|1,0,0]=3 608 B6R1.2 N[C@H]1CCOC1 24756 [0,1,0,1,0,0|0,1,0]=3 609 B6R1.2 N[C@H]1CCOC1 29281 [0,1,0,1,0,0|0,1,0]=3 610 B6R1.2 N[C@H]1CCOC1 37020 [0,1,0,1,0,0|0,1,0]=3 611 B6R1.2 N[C@H]1CCOC1 37021 [0,1,0,1,0,0|0,1,0]=3 612 B6R1.2 N[C@H]1CCOC1 53315 [0,1,0,1,0,0|0,1,0]=3 613 B6R1.2 N[C@H]1CCOC1 SC1299 [0,1,0,1,0,0|0,1,0]=3 614 B6R1.2 O=C1CCCN1 D95709 [0,1,0,1,0,0|1,0,1]=4 615 B6R1.2 O=C1CCCN1 D96808 [0,1,0,1,0,0|1,0,1]=4 616 B6R1.2 O=C1CCNC1 65410 [0,1,0,1,0,0|1,0,1]=4 617 B6R1.2 O=C1CCOC1 28102 [0,1,0,1,0,0|0,1,1]=4 618 B6R1.2 O=C1CCSC1 37995 [0,1,0,1,0,0|0,0,1]=3 619 B6R1.2 O=C1NCCS1 35133 [0,1,0,1,0,0|1,0,1]=4 620 B6R1.2 O=S1CCCC1 D92307 [0,1,0,1,0,0|0,0,1]=3 621 B6R1.2 OC1CC=CC1 68362 [0,1,0,1,0,0|1,0,1]=4 622 B6R1.2 O[C@@H]1CCCO1 31275 [0,1,0,1,0,0|0,1,0]=3 623 B6R1.2 O[C@H]1CCNC1 29173 [0,1,0,1,0,0|1,0,0]=3 624 B6R1.2 O[C@H]1CCNC1 29174 [0,1,0,1,0,0|1,0,0]=3 625 B6R1.2 O[C@H]1CCNC1 29175 [0,1,0,1,0,0|1,0,0]=3 626 B6R1.2 O[C@H]1CCNC1 38203 [0,1,0,1,0,0|1,0,0]=3 627 B6R1.2 O[C@H]1CCNC1 62968 [0,1,0,1,0,0|1,0,0]=3 628 B6R1.2 O[C@H]1CCNC1 62970 [0,1,0,1,0,0|1,0,0]=3 629 B6R1.2 O[C@H]1CCOC1 37369 [0,1,0,1,0,0|0,1,0]=3 630 B6R1.2 O[C@H]1CCOC1 66692 [0,1,0,1,0,0|0,1,0]=3 631 B6R1.2 O[C@H]1CCOC1 66694 [0,1,0,1,0,0|0,1,0]=3 632 B6R1.2 O[C@H]1CCSC1 W10543 [0,1,0,1,0,0|0,0,0]=2 633 B6R1.2 O[C@H]1CNOC1 31853 [0,1,0,1,0,0|1,1,0]=4 634 B6R1.2 S=C1CCCN1 D95546 [0,1,0,1,0,0|1,0,1]=4 635 B6R1.2 S=C1SCCS1 D90483 [0,1,0,1,0,0|1,0,1]=4 636 B6R1.2 SC1CCCC1 D89300 [0,1,0,1,0,0|1,0,0]=3 637 B6R1.3 BrCC[C@H]1CO1 30763 [0,1,0,1,0,0|2,0,0]=4 638 B6R1.3 CCNC1CC1 AC2514 [0,1,0,1,0,0|1,0,0]=3 639 B6R1.3 CCNC1CC1 F20037 [0,1,0,1,0,0|1,0,0]=3 640 B6R1.3 CNCC1CC1 71893 [0,1,0,1,0,0|1,0,0]=3 641 B6R1.3 COC[C@H]1CO1 D90741 [0,1,0,1,0,0|2,0,0]=4 642 B6R1.3 COC[C@H]1CO1 D90742 [0,1,0,1,0,0|2,0,0]=4 643 B6R1.3 COC[C@H]1CO1 F11173 [0,1,0,1,0,0|2,0,0]=4 644 B6R1.3 N#CCC1CC1 35740 [0,1,0,1,0,0|1,0,1]=4 645 B6R1.3 NCCC1CC1 38310 [0,1,0,1,0,0|1,0,0]=3 646 B6R1.3 NCCC1CC1 AB6939 [0,1,0,1,0,0|1,0,0]=3 647 B6R1.3 NNCC1CC1 BL010401 [0,1,0,1,0,0|2,0,0]=4 648 B6R1.3 OCCC1CC1 35626 [0,1,0,1,0,0|1,0,0]=3 649 B6R1.3 OCCN1CC1 52820 [0,1,0,1,0,0|1,0,0]=3 650 B6R1.5 CN1CC(N)C1 55423 [0,1,0,1,0,0|2,0,0]=4 651 B6R1.5 NC1CC(O)C1 36119 [0,1,0,1,0,0|2,0,0]=4 652 B6R1.5 NC1CC(O)C1 37220 [0,1,0,1,0,0|2,0,0]=4 653 B6R1.5 N[C@H]1C[C@@H](O)C1 39165 [0,1,0,1,0,0|2,0,0]=4 654 B6R1.5 N[C@H]1C[C@H](Br)C1 D96555 [0,1,0,1,0,0|2,0,0]=4 655 B6R1.5 N[C@H]1C[C@H](N)C1 38582 [0,1,0,1,0,0|2,0,0]=4 656 B6R1.5 N[C@H]1C[C@H](O)C1 39166 [0,1,0,1,0,0|2,0,0]=4 657 B6R1.10 CC1(C)CNC1 61820 [0,1,0,1,0,0|2,0,0]=4 658 B6R1.10 CC1(N)CNC1 37384 [0,1,0,1,0,0|2,0,0]=4 659 B6R1.10 CC1(N)COC1 36209 [0,1,0,1,0,0|2,0,0]=4 660 B6R1.10 CC1(O)CNC1 54090 [0,1,0,1,0,0|2,0,0]=4 661 B6R1.10 CC1(O)COC1 69106 [0,1,0,1,0,0|2,0,0]=4 662 B6R1.11 CC(=O)C1CC1 79965 [0,1,0,1,0,0|1,0,1]=4 663 B6R1.11 C[C@H](N)C1CC1 30876 [0,1,0,1,0,0|1,0,0]=3 664 B6R1.11 C[C@H](N)C1CC1 71703 [0,1,0,1,0,0|1,0,0]=3 665 B6R1.11 C[C@H](N)C1CC1 72740 [0,1,0,1,0,0|1,0,0]=3 666 B6R1.11 C[C@H](N)C1CC1 F11381 [0,1,0,1,0,0|1,0,0]=3 667 B6R1.11 C[C@H](O)C1CC1 W10546 [0,1,0,1,0,0|1,0,0]=3 668 B6R1.1 C1=CCNCC1 37471 [0,1,0,1,0,0|1,0,1]=4 669 B6R1.1 C1=CCNCC1 AB7774 [0,1,0,1,0,0|1,0,1]=4 670 B6R1.1 C1=CCOCC1 37905 [0,1,0,1,0,0|0,1,1]=4 671 B6R1.1 C1=COCCC1 D78128 [0,1,0,1,0,0|0,1,1]=4 672 B6R1.1 C1CCNCC1 D77674 [0,1,0,1,0,0|1,0,0]=3 673 B6R1.1 C1CCNNC1 AB2862 [0,1,0,1,0,0|1,0,0]=3 674 B6R1.1 C1CCONC1 72394 [0,1,0,1,0,0|0,1,0]=3 675 B6R1.1 C1CCSCC1 D78391 [0,1,0,1,0,0|0,0,0]=2 676 B6R1.1 C1CNCCN1 D97840 [0,1,0,1,0,0|1,0,0]=3 677 B6R1.1 C1COCCN1 D70343 [0,1,0,1,0,0|0,1,0]=3 678 B6R1.1 C1COCCN1 D95446 [0,1,0,1,0,0|0,1,0]=3 679 B6R1.1 C1COCCN1 F14226 [0,1,0,1,0,0|0,1,0]=3 680 B6R1.1 C1CSCCN1 P10015 [0,1,0,1,0,0|0,0,0]=2 681 B6R1.1 C1CSCCO1 D87969 [0,1,0,1,0,0|0,0,0]=2 682 B6R1.1 C1CSCSC1 S10678 [0,1,0,1,0,0|0,0,0]=2 683 B6R1.1 C1SCSCS1 D92358 [0,1,0,1,0,0|1,0,0]=3 684 B6R1.6 BrCC1CCC1 55311 [0,1,0,1,0,0|1,0,0]=3 685 B6R1.6 BrCC1COC1 P12750 [0,1,0,1,0,0|2,0,0]=4 686 B6R1.6 CNC1CNC1 37853 [0,1,0,1,0,0|2,0,0]=4 687 B6R1.6 CNC1COC1 32882 [0,1,0,1,0,0|2,0,0]=4 688 B6R1.6 COC1CNC1 34638 [0,1,0,1,0,0|2,0,0]=4 689 B6R1.6 COC1CNC1 63504 [0,1,0,1,0,0|2,0,0]=4 690 B6R1.6 ClCC1COC1 29833 [0,1,0,1,0,0|2,0,0]=4 691 B6R1.6 ICC1CCC1 P15852 [0,1,0,1,0,0|1,0,0]=3 692 B6R1.6 ICC1COC1 80847 [0,1,0,1,0,0|2,0,0]=4 693 B6R1.6 IC[C@H]1CCO1 30641 [0,1,0,1,0,0|0,1,0]=3 694 B6R1.6 N#CC1CCC1 82484 [0,1,0,1,0,0|1,0,1]=4 695 B6R1.6 NCC1CCC1 33345 [0,1,0,1,0,0|1,0,0]=3 696 B6R1.6 NCC1CCC1 35685 [0,1,0,1,0,0|1,0,0]=3 697 B6R1.6 NCC1COC1 66389 [0,1,0,1,0,0|2,0,0]=4 698 B6R1.6 NCC1COC1 F14274 [0,1,0,1,0,0|2,0,0]=4 699 B6R1.6 NC[C@H]1CCO1 32892 [0,1,0,1,0,0|0,1,0]=3 700 B6R1.6 O=CC1CCC1 83143 [0,1,0,1,0,0|1,0,1]=4 701 B6R1.6 OCC1CCC1 24520 [0,1,0,1,0,0|1,0,0]=3 702 B6R1.6 OCC1CNC1 SC3671 [0,1,0,1,0,0|2,0,0]=4 703 B6R1.6 OCC1COC1 81312 [0,1,0,1,0,0|2,0,0]=4 704 B6R1.7 CC1(CO)CC1 71010 [0,1,0,1,0,0|2,0,0]=4 705 B6R1.7 CCC1(N)CC1 P15302 [0,1,0,1,0,0|1,0,0]=3 706 B6R1.7 CCC1(O)CC1 P20221 [0,1,0,1,0,0|1,0,0]=3 707 B6R1.7 NC1(CO)CC1 80110 [0,1,0,1,0,0|2,0,0]=4 708 B6R1.7 NCC1(O)CC1 27319 [0,1,0,1,0,0|2,0,0]=4