0 B4R0.2 BrCCCBr 3037079 [0,0,0,0,0,0|2,0,0]=2 1 B4R0.2 C=CCC#N 1519454 [0,0,0,0,0,0|1,0,3]=4 2 B4R0.2 C=COCC 2825267 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.2 CCCC#N 1519455 [0,0,0,0,0,0|1,0,1]=2 4 B4R0.2 CCCC=O 2825265 [0,0,0,0,0,0|0,0,2]=2 5 B4R0.2 CCCCBr 2827160 [0,0,0,0,0,0|1,0,0]=1 6 B4R0.2 CCCCI 2926274 [0,0,0,0,0,0|1,0,0]=1 7 B4R0.2 CCCCN 2825276 [0,0,0,0,0,0|1,0,0]=1 8 B4R0.2 CCCCO 2825287 [0,0,0,0,0,0|0,0,0]=0 9 B4R0.2 CCN=C=S 2825382 [0,0,0,0,0,0|1,1,1]=3 10 B4R0.2 CCNCC 2825275 [0,0,0,0,0,0|2,0,0]=2 11 B4R0.2 CNCCCl 11181174 [0,0,0,0,0,0|2,0,0]=2 12 B4R0.2 CNCCO 1869577 [0,0,0,0,0,0|1,0,0]=1 13 B4R0.2 COCCN 1147288 [0,0,0,0,0,0|2,0,0]=2 14 B4R0.2 COCCO 2825301 [0,0,0,0,0,0|1,0,0]=1 15 B4R0.2 COCOC 2825302 [0,0,0,0,0,0|3,0,0]=3 16 B4R0.2 COCON 6249814 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.2 CSCC#N 2120662 [0,0,0,0,0,0|2,0,1]=3 18 B4R0.2 C\C=C\C#N 22430519 [0,0,0,0,0,0|1,0,3]=4 19 B4R0.2 ClCCCBr 2830992 [0,0,0,0,0,0|2,0,0]=2 20 B4R0.2 N#CCC#N 3585913 [0,0,0,0,0,0|2,0,2]=4 21 B4R0.2 N#CCCCl 2825416 [0,0,0,0,0,0|2,0,1]=3 22 B4R0.2 N#CCON 9080699 [0,0,0,0,0,0|3,0,1]=4 23 B4R0.2 NCCCBr 3189256 [0,0,0,0,0,0|2,0,0]=2 24 B4R0.2 NCCCCl 2826653 [0,0,0,0,0,0|2,0,0]=2 25 B4R0.2 NCCCN 2825290 [0,0,0,0,0,0|2,0,0]=2 26 B4R0.2 NCCCO 2825297 [0,0,0,0,0,0|1,0,0]=1 27 B4R0.2 NOCCO 1444402 [0,0,0,0,0,0|2,0,0]=2 28 B4R0.2 OCCCBr 3585831 [0,0,0,0,0,0|1,0,0]=1 29 B4R0.2 OCCCCl 2825464 [0,0,0,0,0,0|1,0,0]=1 30 B4R0.2 OCCCO 2825304 [0,0,0,0,0,0|1,0,0]=1 31 B4R0.2 SCCC#N 2121354 [0,0,0,0,0,0|1,1,1]=3 32 B4R0.2 SCCCS 2825722 [0,0,0,0,0,0|1,1,0]=2 33 B3R0.1 BrCCBr 2931541 [1,0,0,0,0,0|2,0,0]=3 34 B3R0.1 C#CCBr 22430369 [1,0,0,0,0,0|1,0,2]=4 35 B3R0.1 C#CCO 6057505 [1,0,0,0,0,0|0,0,2]=3 36 B3R0.1 C=CCBr 2826145 [1,0,0,0,0,0|1,0,2]=4 37 B3R0.1 C=CCCl 2825308 [1,0,0,0,0,0|1,0,2]=4 38 B3R0.1 C=CCN 3643807 [1,0,0,0,0,0|1,0,2]=4 39 B3R0.1 CCC#N 1519460 [1,0,0,0,0,0|1,0,1]=3 40 B3R0.1 CCC=O 2825243 [1,0,0,0,0,0|0,0,2]=3 41 B3R0.1 CCCBr 2826200 [1,0,0,0,0,0|1,0,0]=2 42 B3R0.1 CCCI 2843705 [1,0,0,0,0,0|1,0,0]=2 43 B3R0.1 CCCN 2825249 [1,0,0,0,0,0|1,0,0]=2 44 B3R0.1 CN=C=S 2825274 [1,0,0,0,0,0|1,1,1]=4 45 B3R0.1 CNOC 2825501 [1,0,0,0,0,0|2,0,0]=3 46 B3R0.1 COC=O 13507909 [1,0,0,0,0,0|1,0,2]=4 47 B3R0.1 CSSC 2816694 [1,0,0,0,0,0|2,0,0]=3 48 B3R0.1 ClCCBr 2819184 [1,0,0,0,0,0|2,0,0]=3 49 B3R0.1 FCCBr 22430481 [1,0,0,0,0,0|2,0,0]=3 50 B3R0.1 N#CCCl 2825299 [1,0,0,0,0,0|2,0,1]=4 51 B3R0.1 N#CCN 22430542 [1,0,0,0,0,0|2,0,1]=4 52 B3R0.1 NCCCl 2825973 [1,0,0,0,0,0|2,0,0]=3 53 B3R0.1 NCCN 3585805 [1,0,0,0,0,0|2,0,0]=3 54 B3R0.1 NCCO 3585939 [1,0,0,0,0,0|1,0,0]=2 55 B3R0.1 NCCS 2119122 [1,0,0,0,0,0|1,1,0]=3 56 B3R0.1 NCCS 22430522 [1,0,0,0,0,0|1,1,0]=3 57 B3R0.1 N\C=N\O 6923389 [1,0,0,0,0,0|2,0,1]=4 58 B3R0.1 O=CCCl 2825311 [1,0,0,0,0,0|1,0,2]=4 59 B3R0.1 OCCBr 2826257 [1,0,0,0,0,0|1,0,0]=2 60 B3R0.1 OCCCl 2825315 [1,0,0,0,0,0|1,0,0]=2 61 B3R0.1 OCCF 22430618 [1,0,0,0,0,0|1,0,0]=2 62 B3R0.1 OCCS 2121589 [1,0,0,0,0,0|1,0,0]=2 63 B5R0.1 CC(=O)CCN 1513437 [0,1,0,0,0,0|1,0,1]=3 64 B5R0.1 CC(C)=CCBr 22430446 [0,1,0,0,0,0|1,0,2]=4 65 B5R0.1 CC(C)CC=O 2825368 [0,1,0,0,0,0|0,0,2]=3 66 B5R0.1 CC(C)CCBr 2829190 [0,1,0,0,0,0|1,0,0]=2 67 B5R0.1 CC(C)CCCl 2825683 [0,1,0,0,0,0|1,0,0]=2 68 B5R0.1 CC(C)CCN 22430471 [0,1,0,0,0,0|1,0,0]=2 69 B5R0.1 CC(C)CCN 2825383 [0,1,0,0,0,0|1,0,0]=2 70 B5R0.1 CC(C)CCO 2825400 [0,1,0,0,0,0|0,0,0]=1 71 B5R0.1 CC(O)CNN 2630835 [0,1,0,0,0,0|2,0,0]=3 72 B5R0.1 CCCC(=O)Cl 1051694 [0,1,0,0,0,0|0,0,2]=3 73 B5R0.1 CCCC(=O)O 2825391 [0,1,0,0,0,0|0,0,1]=2 74 B5R0.1 CCCC(C)=O 1366507 [0,1,0,0,0,0|0,0,2]=3 75 B5R0.1 CCC[N+](=O)[O-] 2816671 [0,1,0,0,0,0|1,0,1]=3 76 B5R0.1 CCOC(=O)Cl 2825723 [0,1,0,0,0,0|1,0,2]=4 77 B5R0.1 CCOC(=S)[S-] 1445679 [0,1,0,0,0,0|1,1,1]=4 78 B5R0.1 CCOC(C)=N 6849557 [0,1,0,0,0,0|2,0,1]=4 79 B5R0.1 CCOC(N)=O 2825409 [0,1,0,0,0,0|1,0,2]=4 80 B5R0.1 CN(C)CCCl 3463724 [0,1,0,0,0,0|2,0,0]=3 81 B5R0.1 CN(C)CCN 1901621 [0,1,0,0,0,0|2,0,0]=3 82 B5R0.1 CN(C)CCO 1275578 [0,1,0,0,0,0|1,0,0]=2 83 B5R0.1 CNCC(=O)O 1972908 [0,1,0,0,0,0|1,0,1]=3 84 B5R0.1 CNCC(C)O 1366510 [0,1,0,0,0,0|1,0,0]=2 85 B5R0.1 COCC(=O)Cl 1375180 [0,1,0,0,0,0|1,0,2]=4 86 B5R0.1 COCC(=O)O 2825420 [0,1,0,0,0,0|1,0,1]=3 87 B5R0.1 COCC(C)O 2816677 [0,1,0,0,0,0|1,0,0]=2 88 B5R0.1 COCC(N)=O 1375171 [0,1,0,0,0,0|1,0,2]=4 89 B5R0.1 COCC(N)=S 2043868 [0,1,0,0,0,0|1,1,1]=4 90 B5R0.1 C\C=C\C(=O)O 5252226 [0,1,0,0,0,0|0,0,3]=4 91 B5R0.1 N#CCC(=O)O 1519400 [0,1,0,0,0,0|1,0,2]=4 92 B5R0.1 NC(=O)CCBr 4787247 [0,1,0,0,0,0|1,0,2]=4 93 B5R0.1 NCCC(=O)O 2825410 [0,1,0,0,0,0|1,0,1]=3 94 B5R0.1 O=C(O)CCBr 2829509 [0,1,0,0,0,0|1,0,1]=3 95 B5R0.1 O=C(O)CCCl 2825726 [0,1,0,0,0,0|1,0,1]=3 96 B5R0.1 O=C(O)CCO 2255842 [0,1,0,0,0,0|1,0,1]=3 97 B5R0.1 O=C(O)CCS 2825675 [0,1,0,0,0,0|1,0,1]=3 98 B5R0.2 BrCCCCBr 3012932 [0,1,0,0,0,0|1,0,0]=2 99 B5R0.2 C=CCNCC 1868920 [0,1,0,0,0,0|1,0,1]=3 100 B5R0.2 C=CCNCC 6668548 [0,1,0,0,0,0|1,0,1]=3 101 B5R0.2 CCCCCBr 2829189 [0,1,0,0,0,0|1,0,0]=2 102 B5R0.2 CCCCCC 2816646 [0,1,0,0,0,0|1,0,0]=2 103 B5R0.2 CCCCCI 2964723 [0,1,0,0,0,0|1,0,0]=2 104 B5R0.2 CCCCCN 2825386 [0,1,0,0,0,0|1,0,0]=2 105 B5R0.2 CCCCNC 1366508 [0,1,0,0,0,0|1,0,0]=2 106 B5R0.2 CCNCCO 1901622 [0,1,0,0,0,0|0,0,0]=1 107 B5R0.2 COCCC#N 2816624 [0,1,0,0,0,0|1,0,1]=3 108 B5R0.2 COCCCN 1147289 [0,1,0,0,0,0|1,0,0]=2 109 B5R0.2 COCCCO 2422039 [0,1,0,0,0,0|0,0,0]=1 110 B5R0.2 COCCOC 2825428 [0,1,0,0,0,0|1,0,0]=2 111 B5R0.2 COCN=C=O 1499834 [0,1,0,0,0,0|1,0,2]=4 112 B5R0.2 N#CCCCCl 2825642 [0,1,0,0,0,0|1,0,1]=3 113 B5R0.2 NCCCCN 2825405 [0,1,0,0,0,0|1,0,0]=2 114 B5R0.2 O=C=NCCCl 1499831 [0,1,0,0,0,0|1,0,2]=4 115 B5R0.2 OCC#CCO 22430583 [0,1,0,0,0,0|0,0,2]=3 116 B5R0.2 OCCCCCl 2825728 [0,1,0,0,0,0|0,0,0]=1 117 B5R0.2 [N-]=[N+]=NCCO 2422033 [0,1,0,0,0,0|2,0,0]=3 118 B5R0.3 BrCC(Br)CBr 22430682 [0,1,0,0,0,0|2,0,0]=3 119 B5R0.3 CCC(=O)CC 2825371 [0,1,0,0,0,0|1,0,1]=3 120 B5R0.3 CCC(C)CO 2816664 [0,1,0,0,0,0|0,0,0]=1 121 B5R0.3 CCC(N)CO 2204675 [0,1,0,0,0,0|0,0,0]=1 122 B5R0.3 CCN(N)CC 1778548 [0,1,0,0,0,0|2,0,0]=3 123 B5R0.3 CNC(=O)CCl 7020410071 [0,1,0,0,0,0|2,0,1]=4 124 B5R0.3 COC(=O)CBr 2820342 [0,1,0,0,0,0|2,0,1]=4 125 B5R0.3 COC(=O)CCl 2825724 [0,1,0,0,0,0|2,0,1]=4 126 B5R0.3 COC(=O)CI 4787273 [0,1,0,0,0,0|2,0,1]=4 127 B5R0.3 COC(=O)CN 2826298 [0,1,0,0,0,0|2,0,1]=4 128 B5R0.3 COC(=O)CS 2825674 [0,1,0,0,0,0|1,1,1]=4 129 B5R0.3 O=C(CCl)CCl 2826373 [0,1,0,0,0,0|2,0,1]=4 130 B5R0.3 O=C(CO)CO 22430589 [0,1,0,0,0,0|1,0,1]=3 131 B5R0.3 O=CC(=O)CO 3354149 [0,1,0,0,0,0|1,0,2]=4 132 B5R0.3 OC(CCl)CCl 2817718 [0,1,0,0,0,0|2,0,0]=3 133 B5R0.3 OCC(O)CCl 2825766 [0,1,0,0,0,0|1,0,0]=2 134 B5R0.3 OCC(O)CO 2825442 [0,1,0,0,0,0|1,0,0]=2 135 B5R0.3 OCC(O)CS 22430414 [0,1,0,0,0,0|1,0,0]=2 136 B5R1.1 C1=CCCC1 22430580 [0,0,0,1,0,0|1,0,1]=3 137 B5R1.1 C1=COCC1 22430513 [0,0,0,1,0,0|0,0,2]=3 138 B5R1.1 C1CCNC1 2825262 [0,0,0,1,0,0|1,0,0]=2 139 B5R1.1 C1CCSC1 6849773 [0,0,0,1,0,0|0,1,0]=2 140 B5R1.2 BrC1CCC1 22430603 [0,0,0,1,0,0|1,0,0]=2 141 B5R1.2 O=C1COC1 3463696 [0,0,0,1,0,0|1,0,2]=4 142 B5R1.2 OC1CNC1 3488477 [0,0,0,1,0,0|1,0,0]=2 143 B5R1.2 OC1COC1 5005520 [0,0,0,1,0,0|1,0,0]=2 144 B5R1.2 OC1CSC1 3354159 [0,0,0,1,0,0|1,0,0]=2 145 B5R1.3 ClCC1CO1 2825444 [0,0,0,1,0,0|1,0,0]=2 146 B5R1.3 N#CC1CC1 3630580 [0,0,0,1,0,0|1,0,1]=3 147 B5R1.3 OCC1CC1 1867144 [0,0,0,1,0,0|0,0,0]=1 148 B2R0.1 BrCBr 2846774 [2,0,0,0,0,0|2,0,0]=4 149 B2R0.1 CC=O 3585877 [2,0,0,0,0,0|0,0,2]=4 150 B2R0.1 CCI 2830268 [2,0,0,0,0,0|1,0,0]=3 151 B2R0.1 CCN 6057187 [2,0,0,0,0,0|1,0,0]=3 152 B2R0.1 CNC 6057150 [2,0,0,0,0,0|1,0,0]=3 153 B2R0.1 CON 1270718 [2,0,0,0,0,0|2,0,0]=4 154 B2R0.1 NCC 22430626 [2,0,0,0,0,0|1,0,0]=3 155 B4R0.1 C=C(C)CCl 2825437 [1,1,0,0,0,0|1,0,1]=4 156 B4R0.1 CC(=O)CBr 2818247 [1,1,0,0,0,0|1,0,1]=4 157 B4R0.1 CC(=O)CCl 2825445 [1,1,0,0,0,0|1,0,1]=4 158 B4R0.1 CC(=O)CN 15296922 [1,1,0,0,0,0|1,0,1]=4 159 B4R0.1 CC(=O)CO 2825282 [1,1,0,0,0,0|0,0,1]=3 160 B4R0.1 CC(C)=NO 2816596 [1,1,0,0,0,0|1,0,1]=4 161 B4R0.1 CC(C)C#N 1519459 [1,1,0,0,0,0|1,0,1]=4 162 B4R0.1 CC(C)C=O 2825266 [1,1,0,0,0,0|0,0,2]=4 163 B4R0.1 CC(C)CBr 2827161 [1,1,0,0,0,0|1,0,0]=3 164 B4R0.1 CC(C)CN 1201821 [1,1,0,0,0,0|1,0,0]=3 165 B4R0.1 CC(C)CO 2825285 [1,1,0,0,0,0|0,0,0]=2 166 B4R0.1 CC(C)NN 11186491 [1,1,0,0,0,0|2,0,0]=4 167 B4R0.1 CC(C)[Mg]Cl 22430581 [1,1,0,0,0,0|2,0,0]=4 168 B4R0.1 CC(Cl)CN 22430566 [1,1,0,0,0,0|1,0,0]=3 169 B4R0.1 CC(N)CN 2825289 [1,1,0,0,0,0|1,0,0]=3 170 B4R0.1 CC(O)CN 2825298 [1,1,0,0,0,0|1,0,0]=3 171 B4R0.1 CCC(=O)Cl 1051693 [1,1,0,0,0,0|0,0,2]=4 172 B4R0.1 CCC(=O)O 14605034 [1,1,0,0,0,0|0,0,1]=3 173 B4R0.1 CCC(C)=O 3585902 [1,1,0,0,0,0|0,0,1]=3 174 B4R0.1 CCC(C)Br 2818248 [1,1,0,0,0,0|0,0,0]=2 175 B4R0.1 CCC(C)N 1146656 [1,1,0,0,0,0|0,0,0]=2 176 B4R0.1 CCC(C)O 2825288 [1,1,0,0,0,0|0,0,0]=2 177 B4R0.1 CCC(N)=O 1375166 [1,1,0,0,0,0|0,0,2]=4 178 B4R0.1 CCN(C)C 5221370 [1,1,0,0,0,0|1,0,0]=3 179 B4R0.1 CC[N+](=O)[O-] 2825295 [1,1,0,0,0,0|1,0,1]=4 180 B4R0.1 COC(Cl)Cl 2817081 [1,1,0,0,0,0|2,0,0]=4 181 B4R0.1 C[C@H](N)CO 7020694203 [1,1,0,0,0,0|0,0,0]=2 182 B4R0.1 C\C(N)=N\O 4434544 [1,1,0,0,0,0|1,0,1]=4 183 B4R0.1 NCC(=O)O 2825296 [1,1,0,0,0,0|1,0,1]=4 184 B4R0.1 NCC(=O)O 5753509 [1,1,0,0,0,0|1,0,1]=4 185 B4R0.1 O=C(O)CBr 2827321 [1,1,0,0,0,0|1,0,1]=4 186 B4R0.1 O=C(O)CCl 2825462 [1,1,0,0,0,0|1,0,1]=4 187 B4R0.1 O=C(O)CI 2928692 [1,1,0,0,0,0|1,0,1]=4 188 B4R0.1 O=C(O)CO 2825300 [1,1,0,0,0,0|1,0,1]=4 189 B4R0.1 O=C(O)CS 2119848 [1,1,0,0,0,0|1,0,1]=4 190 B6R0.1 CCC(C)N=C=O 1055523 [0,2,0,0,0,0|0,0,2]=4 191 B6R0.1 CCN(C)CCO 1901644 [0,2,0,0,0,0|0,0,0]=2 192 B6R0.1 CCNC(=O)CCl 1898923 [0,2,0,0,0,0|1,0,1]=4 193 B6R0.1 CCOC(=O)CBr 2842266 [0,2,0,0,0,0|1,0,1]=4 194 B6R0.1 CCOC(=O)CC 2825607 [0,2,0,0,0,0|1,0,1]=4 195 B6R0.1 CCOC(=O)CCl 2826192 [0,2,0,0,0,0|1,0,1]=4 196 B6R0.1 CCOC(=O)CI 4061573 [0,2,0,0,0,0|1,0,1]=4 197 B6R0.1 CCOC(=O)CN 1705459 [0,2,0,0,0,0|1,0,1]=4 198 B6R0.1 CCOC(=O)CN 3354232 [0,2,0,0,0,0|1,0,1]=4 199 B6R0.1 CCOC(=O)CS 2826130 [0,2,0,0,0,0|0,1,1]=4 200 B6R0.1 CNC(=O)CON 6249823 [0,2,0,0,0,0|1,0,1]=4 201 B6R0.1 CNCC(=O)OC 2267385 [0,2,0,0,0,0|1,0,1]=4 202 B6R0.1 COC(=O)CCN 2827416 [0,2,0,0,0,0|1,0,1]=4 203 B6R0.1 COC(=O)CCS 22430614 [0,2,0,0,0,0|0,1,1]=4 204 B6R0.1 O=C(CCl)NCO 2826223 [0,2,0,0,0,0|1,0,1]=4 205 B6R0.2 CC(=O)CC(C)C 1366516 [0,2,0,0,0,0|0,0,2]=4 206 B6R0.2 CC(C)CC(=O)Cl 1051698 [0,2,0,0,0,0|0,0,2]=4 207 B6R0.2 CC(C)CC(=O)O 2825611 [0,2,0,0,0,0|0,0,1]=3 208 B6R0.2 CC(C)NC(C)C 14659252 [0,2,0,0,0,0|2,0,0]=4 209 B6R0.2 CC(C)NC(C)C 7018704991 [0,2,0,0,0,0|2,0,0]=4 210 B6R0.2 CN(C)CC(=O)O 15386257 [0,2,0,0,0,0|1,0,1]=4 211 B6R0.3 CC(C)C(=O)CO 3515356 [0,2,0,0,0,0|0,0,1]=3 212 B6R0.3 CC(C)C(N)C#N 1972915 [0,2,0,0,0,0|1,0,1]=4 213 B6R0.3 CC(CO)[N+](=O)[O-] 1444408 [0,2,0,0,0,0|2,0,0]=4 214 B6R0.3 CCC(Br)C(=O)Cl 3585900 [0,2,0,0,0,0|0,0,2]=4 215 B6R0.3 CCC(Br)C(=O)O 2842265 [0,2,0,0,0,0|0,0,1]=3 216 B6R0.3 CCC(Br)C(N)=O 2426701 [0,2,0,0,0,0|0,0,2]=4 217 B6R0.3 CCC(C)C(=O)O 1202010 [0,2,0,0,0,0|0,0,1]=3 218 B6R0.3 CCC(N)C(=O)O 2825633 [0,2,0,0,0,0|0,0,1]=3 219 B6R0.3 NC(=O)C(N)CO 7010426 [0,2,0,0,0,0|1,0,1]=4 220 B6R0.3 NC(CS)C(=O)O 7216850007 [0,2,0,0,0,0|1,0,1]=4 221 B6R0.3 NC(CS)C(=O)O 7216850009 [0,2,0,0,0,0|1,0,1]=4 222 B6R0.3 N[C@@H](CO)C(=O)O 22430477 [0,2,0,0,0,0|1,0,1]=4 223 B6R0.3 O=C(O)C(Br)CBr 3137001 [0,2,0,0,0,0|1,0,1]=4 224 B6R0.3 [NH-]C(CS)C(=O)O 22430434 [0,2,0,0,0,0|1,0,1]=4 225 B6R0.4 CC(=O)CCCCl 1655122 [0,2,0,0,0,0|1,0,0]=3 226 B6R0.4 CC(=O)NCCN 1137830 [0,2,0,0,0,0|1,0,1]=4 227 B6R0.4 CC(=O)OCCBr 5662412 [0,2,0,0,0,0|1,0,1]=4 228 B6R0.4 CC(C)CN=C=O 1055522 [0,2,0,0,0,0|0,0,2]=4 229 B6R0.4 CC(C)OCCBr 2842268 [0,2,0,0,0,0|1,0,0]=3 230 B6R0.4 CC(C)OCCN 1147316 [0,2,0,0,0,0|1,0,0]=3 231 B6R0.4 CC(C)OCCO 2825651 [0,2,0,0,0,0|0,0,0]=2 232 B6R0.4 CCCCC(=O)O 2825609 [0,2,0,0,0,0|0,0,0]=2 233 B6R0.4 CCCCC(C)=O 1366517 [0,2,0,0,0,0|0,0,1]=3 234 B6R0.4 CCCNC(C)C 1366523 [0,2,0,0,0,0|1,0,0]=3 235 B6R0.4 CN(C)CCC#N 1328507 [0,2,0,0,0,0|1,0,1]=4 236 B6R0.4 CN(C)CCCCl 3463726 [0,2,0,0,0,0|1,0,0]=3 237 B6R0.4 CN(C)CCCN 1901636 [0,2,0,0,0,0|1,0,0]=3 238 B6R0.4 CN(C)CCCO 1275604 [0,2,0,0,0,0|0,0,0]=2 239 B6R0.4 COCCC(=O)O 2816856 [0,2,0,0,0,0|0,0,1]=3 240 B6R0.4 NC(=O)CCCCl 4787221 [0,2,0,0,0,0|0,0,2]=4 241 B6R0.4 NCCCC(=O)O 2825632 [0,2,0,0,0,0|0,0,1]=3 242 B6R0.4 NCCCC(N)=O 15298719 [0,2,0,0,0,0|0,0,2]=4 243 B6R0.4 O=C(Cl)CCCCl 2827553 [0,2,0,0,0,0|0,0,2]=4 244 B6R0.5 CC(C)(C)CCBr 2823818 [0,2,0,0,0,0|1,0,0]=3 245 B6R0.5 CC(C)(C)CCCl 2826144 [0,2,0,0,0,0|1,0,0]=3 246 B6R0.5 CC(C)(C)CCO 2204684 [0,2,0,0,0,0|0,0,0]=2 247 B6R0.5 CC(C)(N)CON 5246700 [0,2,0,0,0,0|2,0,0]=4 248 B6R0.5 CCCS(=O)(=O)Cl 1051759 [0,2,0,0,0,0|1,0,1]=4 249 B6R0.5 CNCC(C)(C)C 1778570 [0,2,0,0,0,0|2,0,0]=4 250 B6R0.5 CNCC(F)(F)F 2825848 [0,2,0,0,0,0|2,0,0]=4 251 B6R0.5 CS(=O)(=O)CCN 1366570 [0,2,0,0,0,0|2,0,0]=4 252 B6R0.5 NCCS(=O)(=O)O 2817430 [0,2,0,0,0,0|2,0,0]=4 253 B6R0.6 BrCCCCCBr 3155764 [0,2,0,0,0,0|1,0,0]=3 254 B6R0.6 BrCCSCCBr 11182098 [0,2,0,0,0,0|1,0,0]=3 255 B6R0.6 CCCCCCBr 2833096 [0,2,0,0,0,0|1,0,0]=3 256 B6R0.6 CCCCCCI 3023373 [0,2,0,0,0,0|1,0,0]=3 257 B6R0.6 CCCCCCN 2204682 [0,2,0,0,0,0|1,0,0]=3 258 B6R0.6 CCCCCCO 2825622 [0,2,0,0,0,0|0,0,0]=2 259 B6R0.6 CCCCNCC 1366521 [0,2,0,0,0,0|1,0,0]=3 260 B6R0.6 CCCNCCC 1366522 [0,2,0,0,0,0|1,0,0]=3 261 B6R0.6 CCCOCCO 2816865 [0,2,0,0,0,0|0,0,0]=2 262 B6R0.6 CCOCCCN 1147303 [0,2,0,0,0,0|1,0,0]=3 263 B6R0.6 CCOCOCC 2825652 [0,2,0,0,0,0|1,0,0]=3 264 B6R0.6 COCCCCN 1147290 [0,2,0,0,0,0|0,0,0]=2 265 B6R0.6 COCCN=C=O 1055526 [0,2,0,0,0,0|0,0,2]=4 266 B6R0.6 ClCCNCCCl 1195206 [0,2,0,0,0,0|1,0,0]=3 267 B6R0.6 ClCCOCCCl 2827889 [0,2,0,0,0,0|1,0,0]=3 268 B6R0.6 ICCOCCI 7131948 [0,2,0,0,0,0|1,0,0]=3 269 B6R0.6 NCCCCCO 2816851 [0,2,0,0,0,0|0,0,0]=2 270 B6R0.6 NCCCNC=O 7020420408 [0,2,0,0,0,0|0,0,2]=4 271 B6R0.6 NCCOCCCl 4787342 [0,2,0,0,0,0|1,0,0]=3 272 B6R0.6 NCCOCCO 2825663 [0,2,0,0,0,0|0,0,0]=2 273 B6R0.6 O=CCCCC=O 2825552 [0,2,0,0,0,0|0,0,2]=4 274 B6R0.6 OCCCCCO 2816866 [0,2,0,0,0,0|0,0,0]=2 275 B6R0.6 OCCNCCO 3645288 [0,2,0,0,0,0|0,0,0]=2 276 B6R0.6 OCCOCCF 3354266 [0,2,0,0,0,0|0,0,0]=2 277 B6R0.6 OCCOCCO 2825668 [0,2,0,0,0,0|0,0,0]=2 278 B6R0.6 OCCSCCO 2826190 [0,2,0,0,0,0|0,0,0]=2 279 B6R0.8 CC(C)(CN)CO 2204690 [0,2,0,0,0,0|1,0,0]=3 280 B6R0.8 CC(C)(CO)CO 1972924 [0,2,0,0,0,0|1,0,0]=3 281 B6R0.9 CCC(C#N)CC 2825499 [0,2,0,0,0,0|1,0,0]=3 282 B6R0.9 CCC(CC)CN 2264875 [0,2,0,0,0,0|1,0,0]=3 283 B6R0.9 CCC(CC)CO 2204661 [0,2,0,0,0,0|0,0,0]=2 284 B6R0.9 CCN(CC)CC 22430565 [0,2,0,0,0,0|2,0,0]=4 285 B6R0.9 CCN(CC)CC 2825595 [0,2,0,0,0,0|2,0,0]=4 286 B6R0.9 CCN(CC)CC 6057167 [0,2,0,0,0,0|2,0,0]=4 287 B6R0.9 CC[NH+](CC)CC 0107540119 [0,2,0,0,0,0|2,0,0]=4 288 B6R0.9 CC[SiH](CC)CC 2826026 [0,2,0,0,0,0|1,1,0]=4 289 B6R0.9 COC(CCl)OC 2826255 [0,2,0,0,0,0|2,0,0]=4 290 B6R0.9 COC(CN)OC 1655116 [0,2,0,0,0,0|2,0,0]=4 291 B4R1.2 CC1CO1 2825245 [1,0,0,1,0,0|0,0,0]=2 292 B4R1.2 NC1CC1 2825240 [1,0,0,1,0,0|1,0,0]=3 293 B6R1.2 BrC1CCCC1 2828971 [0,1,0,1,0,0|1,0,0]=3 294 B6R1.2 ClC1CCCC1 2816877 [0,1,0,1,0,0|1,0,0]=3 295 B6R1.2 N=C1CCCN1 2825342 [0,1,0,1,0,0|1,0,1]=4 296 B6R1.2 NC1CCCC1 2825355 [0,1,0,1,0,0|1,0,0]=3 297 B6R1.2 O=C1CCCC1 2825338 [0,1,0,1,0,0|0,0,1]=3 298 B6R1.2 O=C1CCCN1 2825350 [0,1,0,1,0,0|0,0,2]=4 299 B6R1.2 O=C1CCCO1 2825356 [0,1,0,1,0,0|0,0,1]=3 300 B6R1.2 O=C1CCNC1 4061482 [0,1,0,1,0,0|0,0,2]=4 301 B6R1.2 O=C1NCCO1 2825377 [0,1,0,1,0,0|1,0,1]=4 302 B6R1.2 O=C1OCCO1 22430563 [0,1,0,1,0,0|1,0,1]=4 303 B6R1.2 OC1CCCC1 2825370 [0,1,0,1,0,0|0,0,0]=2 304 B6R1.2 OC1CCNC1 22588262 [0,1,0,1,0,0|0,0,0]=2 305 B6R1.2 OC1CCOC1 15296955 [0,1,0,1,0,0|0,0,0]=2 306 B6R1.3 O=C=NC1CC1 1055519 [0,1,0,1,0,0|0,0,2]=4 307 B6R1.11 CC(=O)C1CC1 1039330 [0,1,0,1,0,0|0,0,2]=4 308 B6R1.11 CC(O)C1CC1 1039331 [0,1,0,1,0,0|0,0,0]=2 309 B6R1.11 NC(=O)C1CC1 2825349 [0,1,0,1,0,0|0,0,2]=4 310 B6R1.11 O=C(Cl)C1CC1 1051696 [0,1,0,1,0,0|0,0,2]=4 311 B6R1.11 O=C(O)C1CC1 2825360 [0,1,0,1,0,0|0,0,1]=3 312 B6R1.1 C1=CCCCC1 2825327 [0,1,0,1,0,0|1,0,0]=3 313 B6R1.1 C1=COCCC1 22430465 [0,1,0,1,0,0|0,0,1]=3 314 B6R1.1 C1CCCCC1 2825346 [0,1,0,1,0,0|1,0,0]=3 315 B6R1.1 C1CCNCC1 3585804 [0,1,0,1,0,0|1,0,0]=3 316 B6R1.1 C1CNCCN1 2825375 [0,1,0,1,0,0|1,0,0]=3 317 B6R1.1 C1COCCN1 2825379 [0,1,0,1,0,0|0,0,0]=2 318 B6R1.1 C1OCOCO1 2825422 [0,1,0,1,0,0|1,0,0]=3