0 B4R0.2 C#CCCBr F11435 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.2 C#CCCO 24606 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.2 C#CCNC 76738 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.2 C#CCOC AT19953 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.2 C=CCCBr D78125 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.2 C=CCCC FD10489 [0,0,0,0,0,0|2,0,1]=3 6 B4R0.2 C=CCCCl 43989 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.2 C=CCCN 68196 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.2 C=CCCO P16638 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.2 C=CCNC F21270 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.2 C=CCOC D88491 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.2 C=CCSC D88380 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.2 C=COCC P19610 [0,0,0,0,0,0|2,0,1]=3 13 B4R0.2 CC#CCBr 75180 [0,0,0,0,0,0|2,0,2]=4 14 B4R0.2 CC#CCO 75486 [0,0,0,0,0,0|1,1,2]=4 15 B4R0.2 CCCNC A10770 [0,0,0,0,0,0|3,0,0]=3 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|0,0,0]=0 18 B4R0.2 CCNC=O F19558 [0,0,0,0,0,0|0,1,2]=3 19 B4R0.2 CCNCC D78025 [0,0,0,0,0,0|1,0,2]=3 20 B4R0.2 CCNCC D89842 [0,0,0,0,0,0|1,0,2]=3 21 B4R0.2 CCNCC D90318 [0,0,0,0,0,0|1,0,2]=3 22 B4R0.2 CCNOC D80678 [0,0,0,0,0,0|2,0,1]=3 23 B4R0.2 CCOCCl D89215 [0,0,0,0,0,0|2,0,1]=3 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|3,0,1]=4 26 B4R0.2 CNCCCl 71064 [0,0,0,0,0,0|3,0,1]=4 27 B4R0.2 CNCCN D76853 [0,0,0,0,0,0|3,0,1]=4 28 B4R0.2 CNCCN SC1801 [0,0,0,0,0,0|3,0,1]=4 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|3,0,1]=4 31 B4R0.2 COCCN F14847 [0,0,0,0,0,0|3,0,1]=4 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|3,0,1]=4 34 B4R0.2 CSCCO 28828 [0,0,0,0,0,0|2,1,1]=4 35 B4R0.2 CSCSC D88765 [0,0,0,0,0,0|4,0,0]=4 36 B4R0.2 CSSSC D90187 [0,0,0,0,0,0|4,0,0]=4 37 B4R0.2 C\C=C/CC D91891 [0,0,0,0,0,0|2,0,1]=3 38 B4R0.2 C\C=C\OC 28751 [0,0,0,0,0,0|3,0,1]=4 39 B4R0.2 ClCCCI AC1314 [0,0,0,0,0,0|3,0,1]=4 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|3,0,1]=4 42 B4R0.2 ICCCI A10836 [0,0,0,0,0,0|3,0,1]=4 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|3,0,1]=4 48 B4R0.2 NCCCCl D70608 [0,0,0,0,0,0|3,0,1]=4 49 B4R0.2 NCCCO D77871 [0,0,0,0,0,0|2,1,1]=4 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|2,1,1]=4 54 B4R0.2 OCCCF 61100 [0,0,0,0,0,0|2,1,1]=4 55 B4R0.2 OCCCI 75858 [0,0,0,0,0,0|2,1,1]=4 56 B4R0.2 SCCCS F20376 [0,0,0,0,0,0|2,0,2]=4 57 B3R0.1 C#CCBr 28449 [1,0,0,0,0,0|2,0,1]=4 58 B3R0.1 C#CCN 65315 [1,0,0,0,0,0|2,0,1]=4 59 B3R0.1 C#CCN RB8001 [1,0,0,0,0,0|2,0,1]=4 60 B3R0.1 C=CCC F17161 [1,0,0,0,0,0|1,0,1]=3 61 B3R0.1 C=CCI D78530 [1,0,0,0,0,0|2,0,1]=4 62 B3R0.1 C=CC[Pd+] F10003 [1,0,0,0,0,0|2,0,1]=4 63 B3R0.1 CCCN D74104 [1,0,0,0,0,0|1,0,1]=3 64 B3R0.1 CCCN D80322 [1,0,0,0,0,0|1,0,1]=3 65 B3R0.1 CCNC 28743 [1,0,0,0,0,0|0,0,2]=3 66 B3R0.1 CCNC D78313 [1,0,0,0,0,0|0,0,2]=3 67 B3R0.1 CCNN D93746 [1,0,0,0,0,0|1,0,1]=3 68 B3R0.1 CCNO 77594 [1,0,0,0,0,0|0,1,1]=3 69 B3R0.1 CCON 35725 [1,0,0,0,0,0|2,0,0]=3 70 B3R0.1 CCSC D90442 [1,0,0,0,0,0|1,0,1]=3 71 B3R0.1 CNNC F14608 [1,0,0,0,0,0|1,0,2]=4 72 B3R0.1 CNOC 60204 [1,0,0,0,0,0|1,0,2]=4 73 B3R0.1 COCBr D78328 [1,0,0,0,0,0|2,0,1]=4 74 B3R0.1 CSCCl F20413 [1,0,0,0,0,0|2,0,1]=4 75 B3R0.1 C\C=N\O F13401 [1,0,0,0,0,0|0,1,1]=3 76 B3R0.1 ClCCBr D95298 [1,0,0,0,0,0|2,0,1]=4 77 B3R0.1 FCCI 29129 [1,0,0,0,0,0|2,0,1]=4 78 B3R0.1 ICCI D70963 [1,0,0,0,0,0|2,0,1]=4 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|2,0,1]=4 84 B3R0.1 NCCCl D70641 [1,0,0,0,0,0|2,0,1]=4 85 B3R0.1 NCCF 22877 [1,0,0,0,0,0|2,0,1]=4 86 B3R0.1 NCCN T72638 [1,0,0,0,0,0|2,0,1]=4 87 B3R0.1 NCCO F17546 [1,0,0,0,0,0|1,1,1]=4 88 B3R0.1 NCCO P20022 [1,0,0,0,0,0|1,1,1]=4 89 B3R0.1 NCCS D70222 [1,0,0,0,0,0|1,0,2]=4 90 B3R0.1 NCCS D88299 [1,0,0,0,0,0|1,0,2]=4 91 B3R0.1 SCCS D78347 [1,0,0,0,0,0|1,0,2]=4 92 B5R0.1 C=C(C)OCC 78535 [0,1,0,0,0,0|2,0,1]=4 93 B5R0.1 C=CC[C@H](C)O D92157 [0,1,0,0,0,0|2,0,1]=4 94 B5R0.1 CC(C)CC#N 30285 [0,1,0,0,0,0|2,0,1]=4 95 B5R0.1 CC(C)CNN 86152 [0,1,0,0,0,0|3,0,0]=4 96 B5R0.1 CC(C)CON H10571 [0,1,0,0,0,0|3,0,0]=4 97 B5R0.1 CC(C)N=C=S 28415 [0,1,0,0,0,0|0,0,0]=1 98 B5R0.1 CC=C[C@H](C)O D84201 [0,1,0,0,0,0|2,0,1]=4 99 B5R0.1 CCCB(O)O 33060 [0,1,0,0,0,0|2,1,0]=4 100 B5R0.1 CCCC(=N)N W10324 [0,1,0,0,0,0|2,0,1]=4 101 B5R0.1 CCCC(=O)[O-] D84277 [0,1,0,0,0,0|1,1,1]=4 102 B5R0.1 CCCC(N)=O D70204 [0,1,0,0,0,0|1,1,1]=4 103 B5R0.1 CCC[C@H](C)N 28967 [0,1,0,0,0,0|2,0,1]=4 104 B5R0.1 CCC[C@H](C)O RB3003 [0,1,0,0,0,0|1,1,1]=4 105 B5R0.1 CCC[C@H](C)O T72186 [0,1,0,0,0,0|1,1,1]=4 106 B5R0.1 CCC[N+](=O)[O-] D97683 [0,1,0,0,0,0|2,1,0]=4 107 B5R0.1 CCNC(C)=O AC2513 [0,1,0,0,0,0|0,1,2]=4 108 B5R0.1 CCNC(C)C D77967 [0,1,0,0,0,0|1,0,2]=4 109 B5R0.1 CCNC(N)=O D95291 [0,1,0,0,0,0|0,1,2]=4 110 B5R0.1 CCOC(=S)[S-] D78138 [0,1,0,0,0,0|1,0,1]=3 111 B5R0.1 CCOC(=S)[S-] D90455 [0,1,0,0,0,0|1,0,1]=3 112 B5R0.1 CCOC(C)=N D70134 [0,1,0,0,0,0|2,0,1]=4 113 B5R0.1 CCOC(N)=O F21294 [0,1,0,0,0,0|1,1,1]=4 114 B5R0.1 CCO[SiH](C)C I11477 [0,1,0,0,0,0|2,1,0]=4 115 B5R0.1 CCSC(=N)N D86401 [0,1,0,0,0,0|2,0,1]=4 116 B5R0.1 CCSC(C)=O H11301 [0,1,0,0,0,0|1,1,1]=4 117 B5R0.1 CC[O+]=C(N)N 35842 [0,1,0,0,0,0|2,0,1]=4 118 B5R0.1 COC[C@H](C)O 35103 [0,1,0,0,0,0|3,0,0]=4 119 B5R0.1 COC[C@H](C)O O10158 [0,1,0,0,0,0|3,0,0]=4 120 B5R0.1 C[C@H](Br)CC#N D88813 [0,1,0,0,0,0|2,0,1]=4 121 B5R0.1 C[C@H](Cl)CCCl D89632 [0,1,0,0,0,0|2,0,1]=4 122 B5R0.1 C[C@H](N)CC#N N12426 [0,1,0,0,0,0|2,0,1]=4 123 B5R0.1 C[C@H](N)CCO 36141 [0,1,0,0,0,0|1,1,1]=4 124 B5R0.1 C[C@H](N)CCO 36142 [0,1,0,0,0,0|1,1,1]=4 125 B5R0.1 C[C@H](N)CCO F11725 [0,1,0,0,0,0|1,1,1]=4 126 B5R0.1 C[C@H](O)CCO 55765 [0,1,0,0,0,0|1,1,1]=4 127 B5R0.1 C[C@H](O)CCO O10183 [0,1,0,0,0,0|1,1,1]=4 128 B5R0.1 C[C@H](O)CNN 71999 [0,1,0,0,0,0|3,0,0]=4 129 B5R0.1 C[NH2+]CC(C)C D91375 [0,1,0,0,0,0|3,0,0]=4 130 B5R0.2 BrCCCCBr D77910 [0,1,0,0,0,0|2,0,1]=4 131 B5R0.2 C#CCCCC 75209 [0,1,0,0,0,0|2,0,1]=4 132 B5R0.2 C#CCCCCl 76259 [0,1,0,0,0,0|2,0,1]=4 133 B5R0.2 C#CCCCO 32105 [0,1,0,0,0,0|2,0,1]=4 134 B5R0.2 C=CCCCBr 78391 [0,1,0,0,0,0|2,0,1]=4 135 B5R0.2 C=CCCCCl O11411 [0,1,0,0,0,0|2,0,1]=4 136 B5R0.2 C=CCCCN 68255 [0,1,0,0,0,0|2,0,1]=4 137 B5R0.2 C=CCCCN 86153 [0,1,0,0,0,0|2,0,1]=4 138 B5R0.2 C=CCCCO 76184 [0,1,0,0,0,0|2,0,1]=4 139 B5R0.2 C=COCCO D78209 [0,1,0,0,0,0|2,0,1]=4 140 B5R0.2 CCC#CCO F19221 [0,1,0,0,0,0|1,1,1]=4 141 B5R0.2 CCCCNN F17594 [0,1,0,0,0,0|2,0,1]=4 142 B5R0.2 CCCCON H11431 [0,1,0,0,0,0|1,1,1]=4 143 B5R0.2 CCCNCC F21346 [0,1,0,0,0,0|1,0,2]=4 144 B5R0.2 CCNCCN AB11316 [0,1,0,0,0,0|1,0,2]=4 145 B5R0.2 CCNCCO 20098 [0,1,0,0,0,0|0,1,2]=4 146 B5R0.2 CCOCCCl 29431 [0,1,0,0,0,0|2,0,1]=4 147 B5R0.2 CCSCCCl D89330 [0,1,0,0,0,0|2,0,1]=4 148 B5R0.2 CCSSCC D89662 [0,1,0,0,0,0|2,0,1]=4 149 B5R0.2 CC\C=C\C#N D92033 [0,1,0,0,0,0|2,0,1]=4 150 B5R0.2 CC\C=C\C=O 11553 [0,1,0,0,0,0|1,1,1]=4 151 B5R0.2 CNCCC#N 75878 [0,1,0,0,0,0|2,0,1]=4 152 B5R0.2 CNCCCCl F16501 [0,1,0,0,0,0|2,0,1]=4 153 B5R0.2 CNCCCN 37144 [0,1,0,0,0,0|2,0,1]=4 154 B5R0.2 CNCCCO 36133 [0,1,0,0,0,0|1,1,1]=4 155 B5R0.2 CNCCNC 39416 [0,1,0,0,0,0|3,0,0]=4 156 B5R0.2 CNCCOC D70346 [0,1,0,0,0,0|3,0,0]=4 157 B5R0.2 CNCCSC AC2521 [0,1,0,0,0,0|3,0,0]=4 158 B5R0.2 COCCC#N D71223 [0,1,0,0,0,0|2,0,1]=4 159 B5R0.2 COCCCBr F11235 [0,1,0,0,0,0|2,0,1]=4 160 B5R0.2 COCCCCl H11766 [0,1,0,0,0,0|2,0,1]=4 161 B5R0.2 COCCCN D81053 [0,1,0,0,0,0|2,0,1]=4 162 B5R0.2 COCCNN 72234 [0,1,0,0,0,0|3,0,0]=4 163 B5R0.2 COCCOC D81126 [0,1,0,0,0,0|3,0,0]=4 164 B5R0.2 COCCOC D83907 [0,1,0,0,0,0|3,0,0]=4 165 B5R0.2 COCCOC F16635 [0,1,0,0,0,0|3,0,0]=4 166 B5R0.2 COCCON D82747 [0,1,0,0,0,0|3,0,0]=4 167 B5R0.2 CSCCCO 79218 [0,1,0,0,0,0|1,1,1]=4 168 B5R0.2 CSCCC[NH3+] D91382 [0,1,0,0,0,0|2,0,1]=4 169 B5R0.2 C\C=C/CCC D90857 [0,1,0,0,0,0|2,0,1]=4 170 B5R0.2 ClCCCCBr F11271 [0,1,0,0,0,0|2,0,1]=4 171 B5R0.2 ClCCCCI A10998 [0,1,0,0,0,0|2,0,1]=4 172 B5R0.2 ClCCOCCl 29087 [0,1,0,0,0,0|2,0,1]=4 173 B5R0.2 FCCCCBr D87758 [0,1,0,0,0,0|2,0,1]=4 174 B5R0.2 ICCCCI AC1274 [0,1,0,0,0,0|2,0,1]=4 175 B5R0.2 N#CCCCBr 35256 [0,1,0,0,0,0|2,0,1]=4 176 B5R0.2 N#CCCCCl 20443 [0,1,0,0,0,0|2,0,1]=4 177 B5R0.2 NCCCCBr 24475 [0,1,0,0,0,0|2,0,1]=4 178 B5R0.2 NCCCCN F17678 [0,1,0,0,0,0|2,0,1]=4 179 B5R0.2 NCCCCN N11902 [0,1,0,0,0,0|2,0,1]=4 180 B5R0.2 NCCCCO 51530 [0,1,0,0,0,0|1,1,1]=4 181 B5R0.2 O=C=NCCCl D91119 [0,1,0,0,0,0|0,1,0]=2 182 B5R0.2 OCCCCBr 54526 [0,1,0,0,0,0|1,1,1]=4 183 B5R0.2 OCCCCCl F11085 [0,1,0,0,0,0|1,1,1]=4 184 B5R0.2 OCCCCI D81265 [0,1,0,0,0,0|1,1,1]=4 185 B5R0.2 OCCNCO D91013 [0,1,0,0,0,0|0,1,2]=4 186 B5R0.2 [N-]=[N+]=NCCO A12080 [0,1,0,0,0,0|2,0,0]=3 187 B5R0.3 C#C[C@@H](O)CC 75224 [0,1,0,0,0,0|2,0,1]=4 188 B5R0.3 C=C[C@@H](O)CC F15421 [0,1,0,0,0,0|2,0,1]=4 189 B5R0.3 CCC(=N)NO 22901 [0,1,0,0,0,0|2,1,0]=4 190 B5R0.3 CCC(=O)CBr F10475 [0,1,0,0,0,0|2,0,1]=4 191 B5R0.3 CCC(=O)CO C75383 [0,1,0,0,0,0|1,1,1]=4 192 B5R0.3 CCC(=O)NC D91338 [0,1,0,0,0,0|3,0,0]=4 193 B5R0.3 CCC(=O)NN 20641 [0,1,0,0,0,0|3,0,0]=4 194 B5R0.3 CCC(Br)CC H11324 [0,1,0,0,0,0|2,0,1]=4 195 B5R0.3 CCC(N)CC S12161 [0,1,0,0,0,0|2,0,1]=4 196 B5R0.3 CCN(C)CC D97580 [0,1,0,0,0,0|1,0,2]=4 197 B5R0.3 CCS(=O)CC D81870 [0,1,0,0,0,0|2,0,1]=4 198 B5R0.3 CC[C@H](Br)CBr D89608 [0,1,0,0,0,0|2,0,1]=4 199 B5R0.3 CC[C@H](C)CBr A10884 [0,1,0,0,0,0|2,0,1]=4 200 B5R0.3 CC[C@H](C)CCl D89411 [0,1,0,0,0,0|2,0,1]=4 201 B5R0.3 CC[C@H](C)CI D80608 [0,1,0,0,0,0|2,0,1]=4 202 B5R0.3 CC[C@H](C)CN F16114 [0,1,0,0,0,0|2,0,1]=4 203 B5R0.3 CC[C@H](C)CO 88664 [0,1,0,0,0,0|1,1,1]=4 204 B5R0.3 CC[C@H](C)CS D91431 [0,1,0,0,0,0|1,0,2]=4 205 B5R0.3 CC[C@H](C)NC D95752 [0,1,0,0,0,0|3,0,0]=4 206 B5R0.3 CC[C@H](C)NN 72197 [0,1,0,0,0,0|3,0,0]=4 207 B5R0.3 CC[C@H](N)CO 23160 [0,1,0,0,0,0|1,1,1]=4 208 B5R0.3 CC[C@H](N)CO D87517 [0,1,0,0,0,0|1,1,1]=4 209 B5R0.3 CC[C@H](N)CO F14569 [0,1,0,0,0,0|1,1,1]=4 210 B5R0.3 CC[C@H](O)CN D97409 [0,1,0,0,0,0|2,0,1]=4 211 B5R0.3 CC[C@H](O)CO C10640 [0,1,0,0,0,0|1,1,1]=4 212 B5R0.3 CC[C@H](O)CO O10222 [0,1,0,0,0,0|1,1,1]=4 213 B5R1.1 C1CCNC1 A12343 [0,0,0,1,0,0|1,0,2]=4 214 B5R1.1 C1CCNC1 D95438 [0,0,0,1,0,0|1,0,2]=4 215 B5R1.1 C1CCOC1 D97750 [0,0,0,1,0,0|1,1,1]=4 216 B5R1.1 C1CNOC1 72098 [0,0,0,1,0,0|2,0,1]=4 217 B5R1.1 C1COCO1 D89731 [0,0,0,1,0,0|1,1,1]=4 218 B5R1.1 C1CSCN1 H10192 [0,0,0,1,0,0|0,0,3]=4 219 B5R1.1 C1CSCN1 H11361 [0,0,0,1,0,0|0,0,3]=4 220 B5R1.2 BrC1CCC1 23146 [0,0,0,1,0,0|2,0,1]=4 221 B5R1.2 C=C1CCC1 90960 [0,0,0,1,0,0|2,0,1]=4 222 B5R1.2 CC1CNC1 80306 [0,0,0,1,0,0|3,0,0]=4 223 B5R1.2 C[C@H]1CCN1 86769 [0,0,0,1,0,0|1,0,2]=4 224 B5R1.2 NC1CCC1 51600 [0,0,0,1,0,0|2,0,1]=4 225 B5R1.2 NC1CCC1 F10463 [0,0,0,1,0,0|2,0,1]=4 226 B5R1.2 O=C1CCC1 24502 [0,0,0,1,0,0|1,1,1]=4 227 B5R1.2 O=C1CCN1 52806 [0,0,0,1,0,0|0,1,2]=4 228 B5R1.2 O=C1CCO1 AT19319 [0,0,0,1,0,0|1,1,1]=4 229 B5R1.2 OC1CCC1 59166 [0,0,0,1,0,0|1,1,1]=4 230 B5R1.3 BrCC1CC1 23011 [0,0,0,1,0,0|2,0,1]=4 231 B5R1.3 C#CC1CC1 F15427 [0,0,0,1,0,0|2,0,1]=4 232 B5R1.3 CC[C@H]1CO1 A11382 [0,0,0,1,0,0|1,1,1]=4 233 B5R1.3 CNC1CC1 83251 [0,0,0,1,0,0|3,0,0]=4 234 B5R1.3 CNC1CC1 BL006056 [0,0,0,1,0,0|3,0,0]=4 235 B5R1.3 ClCC1CC1 58186 [0,0,0,1,0,0|2,0,1]=4 236 B5R1.3 NCC1CC1 F11902 [0,0,0,1,0,0|2,0,1]=4 237 B5R1.3 O=CC1CC1 82833 [0,0,0,1,0,0|1,1,1]=4 238 B2R0.1 BrCI S11031 [2,0,0,0,0,0|2,0,0]=4 239 B2R0.1 C=NO 28803 [2,0,0,0,0,0|0,1,1]=4 240 B2R0.1 CC#N 34239 [2,0,0,0,0,0|0,0,2]=4 241 B2R0.1 CC=O D78540 [2,0,0,0,0,0|0,1,1]=4 242 B2R0.1 CC[O-] D78336 [2,0,0,0,0,0|0,1,0]=3 243 B2R0.1 CC[S-] H10136 [2,0,0,0,0,0|0,0,1]=3 244 B2R0.1 CNO 77593 [2,0,0,0,0,0|0,1,1]=4 245 B2R0.1 CON C93493 [2,0,0,0,0,0|1,0,1]=4 246 B2R0.1 C[SnH4+2]C D90313 [2,0,0,0,0,0|1,0,1]=4 247 B2R0.1 C[SnH4+2]C H11302 [2,0,0,0,0,0|1,0,1]=4 248 B2R0.1 ClCI D78022 [2,0,0,0,0,0|2,0,0]=4 249 B2R0.1 N=CN 78939 [2,0,0,0,0,0|1,0,1]=4 250 B2R0.1 O=N[O-] D95565 [2,0,0,0,0,0|1,1,0]=4 251 B2R0.1 [2H]OC D95537 [2,0,0,0,0,0|2,0,0]=4 252 B4R0.1 C#CC(C)C 22832 [1,1,0,0,0,0|1,0,1]=4 253 B4R0.1 C#C[C@H](C)N P17981 [1,1,0,0,0,0|1,0,1]=4 254 B4R0.1 C#C[C@H](C)O 55689 [1,1,0,0,0,0|1,0,1]=4 255 B4R0.1 C#C[C@H](C)O F17654 [1,1,0,0,0,0|1,0,1]=4 256 B4R0.1 C=C[C@H](C)O W13854 [1,1,0,0,0,0|1,0,1]=4 257 B4R0.1 C=NN(C)C T72047 [1,1,0,0,0,0|1,0,1]=4 258 B4R0.1 CC(C)=NO D70154 [1,1,0,0,0,0|0,1,1]=4 259 B4R0.1 CC(C)CN D70621 [1,1,0,0,0,0|1,0,1]=4 260 B4R0.1 CC(C)NN 35766 [1,1,0,0,0,0|1,0,1]=4 261 B4R0.1 CC(C)NN C10400 [1,1,0,0,0,0|1,0,1]=4 262 B4R0.1 CC(C)NO 77595 [1,1,0,0,0,0|0,1,1]=4 263 B4R0.1 CC(C)ON 77602 [1,1,0,0,0,0|2,0,0]=4 264 B4R0.1 CCB(O)O 33051 [1,1,0,0,0,0|1,1,0]=4 265 B4R0.1 CCC(=N)N 65202 [1,1,0,0,0,0|1,0,1]=4 266 B4R0.1 CCC(N)=O O12053 [1,1,0,0,0,0|0,1,1]=4 267 B4R0.1 CCC(N)=S AT14776 [1,1,0,0,0,0|0,0,1]=3 268 B4R0.1 CC[C@H](C)O 70716 [1,1,0,0,0,0|0,1,1]=4 269 B4R0.1 CC[C@H](C)O 70832 [1,1,0,0,0,0|0,1,1]=4 270 B4R0.1 CC[S@](=O)[O-] F16489 [1,1,0,0,0,0|1,1,0]=4 271 B4R0.1 CN(C)C=S 70822 [1,1,0,0,0,0|0,0,2]=4 272 B4R0.1 CN(C)N=O AT21751 [1,1,0,0,0,0|1,1,0]=4 273 B4R0.1 CN=C(N)N D91522 [1,1,0,0,0,0|1,0,1]=4 274 B4R0.1 CNC(C)C 39417 [1,1,0,0,0,0|0,0,2]=4 275 B4R0.1 C[C@H](Br)C#N S12043 [1,1,0,0,0,0|1,0,1]=4 276 B4R0.1 C[C@H](Cl)CO H11590 [1,1,0,0,0,0|0,1,1]=4 277 B4R0.1 C[C@H](Cl)CO O10168 [1,1,0,0,0,0|0,1,1]=4 278 B4R0.1 C[C@H](N)CN 35106 [1,1,0,0,0,0|1,0,1]=4 279 B4R0.1 C[C@H](N)CN P20461 [1,1,0,0,0,0|1,0,1]=4 280 B4R0.1 C[C@H](N)CO 28476 [1,1,0,0,0,0|0,1,1]=4 281 B4R0.1 C[C@H](N)CO 29970 [1,1,0,0,0,0|0,1,1]=4 282 B4R0.1 C[C@H](N)CO 29971 [1,1,0,0,0,0|0,1,1]=4 283 B4R0.1 C[C@H](O)CCl C10666 [1,1,0,0,0,0|1,0,1]=4 284 B4R0.1 C[C@H](O)CCl D87799 [1,1,0,0,0,0|1,0,1]=4 285 B4R0.1 C[C@H](O)CCl H11611 [1,1,0,0,0,0|1,0,1]=4 286 B4R0.1 C[C@H](O)CN 86259 [1,1,0,0,0,0|1,0,1]=4 287 B4R0.1 C[C@H](O)CN 86301 [1,1,0,0,0,0|1,0,1]=4 288 B4R0.1 C[C@H](O)CN A10592 [1,1,0,0,0,0|1,0,1]=4 289 B4R0.1 C[C@H](O)CO A11633 [1,1,0,0,0,0|0,1,1]=4 290 B4R0.1 C[C@H](O)CO A11634 [1,1,0,0,0,0|0,1,1]=4 291 B4R0.1 C\C(N)=N\O 35620 [1,1,0,0,0,0|0,1,1]=4 292 B6R0.1 CCNC(=S)NN D97435 [0,2,0,0,0,0|0,0,2]=4 293 B6R0.2 CC(C)NC(N)=S D86344 [0,2,0,0,0,0|0,0,2]=4 294 B6R0.2 CC(C)OC(=S)[S-] D91095 [0,2,0,0,0,0|1,0,1]=4 295 B6R0.4 CCCNC(N)=S D86341 [0,2,0,0,0,0|0,0,2]=4 296 B6R0.4 CCCOC(=S)[S-] D91970 [0,2,0,0,0,0|1,0,1]=4 297 B6R0.5 CC(C)(C)N=C=S D95911 [0,2,0,0,0,0|0,0,0]=2 298 B6R0.5 C[Si](C)(C)N=C=O D92451 [0,2,0,0,0,0|0,2,0]=4 299 B6R0.6 CCCCN=C=S D91107 [0,2,0,0,0,0|0,0,0]=2 300 B6R0.6 COCCN=[N+]=[N-] AC8733 [0,2,0,0,0,0|2,0,0]=4 301 B6R0.6 O=C=NCCCCl D89529 [0,2,0,0,0,0|0,1,0]=3 302 B4R1.1 C1CNC1 29084 [1,0,0,1,0,0|0,0,2]=4 303 B4R1.2 BrC1CC1 55622 [1,0,0,1,0,0|1,0,1]=4 304 B4R1.2 C[C@H]1CS1 D91944 [1,0,0,1,0,0|0,0,2]=4 305 B4R1.2 NC1CC1 P19977 [1,0,0,1,0,0|1,0,1]=4 306 B4R1.2 OC1CC1 87295 [1,0,0,1,0,0|0,1,1]=4 307 B6R1.2 CC1=NCCC1 35340 [0,1,0,1,0,0|1,0,1]=4 308 B6R1.2 CC1=NCCN1 S11926 [0,1,0,1,0,0|1,0,1]=4 309 B6R1.2 CC1=NCCO1 F16112 [0,1,0,1,0,0|0,1,1]=4 310 B6R1.2 CC1=NCCS1 D91305 [0,1,0,1,0,0|0,0,2]=4 311 B6R1.2 NC1=NCCC1 23751 [0,1,0,1,0,0|1,0,1]=4 312 B6R1.2 NC1=NCCS1 H11788 [0,1,0,1,0,0|0,0,2]=4 313 B6R1.2 OC1=NNCC1 I10060 [0,1,0,1,0,0|0,1,1]=4 314 B6R1.2 S=C1CCCN1 D95546 [0,1,0,1,0,0|0,0,2]=4 315 B6R1.2 S=C1NCCN1 A10690 [0,1,0,1,0,0|0,0,2]=4 316 B6R1.2 S=C1NCCO1 79469 [0,1,0,1,0,0|0,0,2]=4 317 B6R1.2 S=C1SCCS1 D90483 [0,1,0,1,0,0|1,0,1]=4 318 B6R1.11 NC(=S)C1CC1 82485 [0,1,0,1,0,0|1,0,1]=4