0 B6R0.6 C#CCCCCC 75208 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.6 C=CCCCCC D90784 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.6 C=CCC\C=C\C T71838 [0,0,0,0,0,0|1,0,3]=4 3 B6R0.6 C=CCSCCC F13976 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.6 CC#CCCCC D90868 [0,0,0,0,0,0|1,0,3]=4 5 B6R0.6 CCC#CCCBr D86950 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.6 CCCCCC#N D90798 [0,0,0,0,0,0|1,0,3]=4 7 B6R0.6 CCCCCCN D91063 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.6 CCCCCC[Mg+] D78455 [0,0,0,0,0,0|1,0,2]=3 9 B6R0.6 CCCCCNN AC4196 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.6 CCCCCSC D88262 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.6 CCCCOCC D88684 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.6 CCCC\C=C\I AT25371 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.6 CCCOCCC D91968 [0,0,0,0,0,0|2,0,1]=3 14 B6R0.6 CCCOCCN D88415 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.6 CCCSCCC D91969 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.6 CCCSCCO D92003 [0,0,0,0,0,0|1,0,1]=2 17 B6R0.6 CCC\C=C/CO D90941 [0,0,0,0,0,0|0,0,2]=2 18 B6R0.6 CC\C=C\CCC D90967 [0,0,0,0,0,0|1,0,0]=1 19 B6R0.6 C\C=C/CCCC D90859 [0,0,0,0,0,0|1,0,2]=3 20 B6R0.6 C\C=C/CCCO D90944 [0,0,0,0,0,0|0,0,2]=2 21 B6R0.6 C\C=C\CCCC D90785 [0,0,0,0,0,0|1,0,2]=3 22 B6R0.6 C\C=C\CCCO D71247 [0,0,0,0,0,0|0,0,2]=2 23 B6R0.6 ClCCCCCCl D89643 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.6 N#CCCCCO D77640 [0,0,0,0,0,0|1,0,3]=4 25 B6R0.6 NCCCCCN 24563 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.6 NCCSCCN AT25574 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.6 SCCOCCS AT13657 [0,0,0,0,0,0|2,1,1]=4 28 B5R0.2 C=CCOCC D88369 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.2 C=CC\C=C\C F19222 [1,0,0,0,0,0|1,0,1]=3 30 B5R0.2 C=COCCC A10930 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.2 C=COCCCl D89212 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.2 CC#CCCC D90866 [1,0,0,0,0,0|0,0,3]=4 33 B5R0.2 CC#CCCO D92016 [1,0,0,0,0,0|0,0,2]=3 34 B5R0.2 CCC#CCC D90867 [1,0,0,0,0,0|0,0,2]=3 35 B5R0.2 CCC#CCCl T72112 [1,0,0,0,0,0|1,0,2]=4 36 B5R0.2 CCCCC#N 28441 [1,0,0,0,0,0|1,0,2]=4 37 B5R0.2 CCCCCI D91072 [1,0,0,0,0,0|1,0,1]=3 38 B5R0.2 CCCCOC D91343 [1,0,0,0,0,0|1,0,2]=4 39 B5R0.2 CCCCSC T71148 [1,0,0,0,0,0|1,0,2]=4 40 B5R0.2 CCCC[NH2+]C D91287 [1,0,0,0,0,0|1,0,2]=4 41 B5R0.2 CCCOCC D90426 [1,0,0,0,0,0|1,0,1]=3 42 B5R0.2 CCCSCC H10827 [1,0,0,0,0,0|1,0,1]=3 43 B5R0.2 CCCSSC D91531 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.2 CCC\C=N/O D88680 [1,0,0,0,0,0|1,0,1]=3 45 B5R0.2 CCOCCBr D95434 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.2 CCOCC[NH3+] D90462 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.2 CCO\C=C/Br 71052 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.2 CC[Se][Se]CC T71152 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.2 CC\C=C/CC D90855 [1,0,0,0,0,0|0,0,0]=1 50 B5R0.2 CC\C=C/CO 23141 [1,0,0,0,0,0|0,0,0]=1 51 B5R0.2 CC\C=C\CC D82999 [1,0,0,0,0,0|0,0,0]=1 52 B5R0.2 C\C=C/C=C/C D90841 [1,0,0,0,0,0|0,0,2]=3 53 B5R0.2 C\C=C/OCC D90589 [1,0,0,0,0,0|1,0,1]=3 54 B5R0.2 C\C=C\CCC D90853 [1,0,0,0,0,0|1,0,0]=2 55 B5R0.2 ClC\C=C/CCl D72448 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.2 N#CCCCO D77639 [1,0,0,0,0,0|1,0,2]=4 57 B5R0.2 NOC\C=C\Cl C16845 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.2 SCCCCS D88698 [1,0,0,0,0,0|1,1,1]=4 59 B7R0.1 C#CCCCCCC F10502 [0,1,0,0,0,0|1,0,2]=4 60 B7R0.1 C=CCCCCCC D91846 [0,1,0,0,0,0|1,0,2]=4 61 B7R0.1 CCC#CCCCC D91806 [0,1,0,0,0,0|1,0,2]=4 62 B7R0.1 CCCC#CCCC D91807 [0,1,0,0,0,0|1,0,2]=4 63 B7R0.1 CCCC#CCCO D90878 [0,1,0,0,0,0|0,0,2]=3 64 B7R0.1 CCCCC#CCO D90877 [0,1,0,0,0,0|0,0,3]=4 65 B7R0.1 CCCCCCC#N D90969 [0,1,0,0,0,0|1,0,2]=4 66 B7R0.1 CCCCCCCC A10542 [0,1,0,0,0,0|1,0,2]=4 67 B7R0.1 CCCCCCCN F17097 [0,1,0,0,0,0|1,0,2]=4 68 B7R0.1 CCCCCCOC D90977 [0,1,0,0,0,0|0,0,2]=3 69 B7R0.1 CCCCNCCN A10255 [0,1,0,0,0,0|1,0,2]=4 70 B7R0.1 CCCCSCCO T71016 [0,1,0,0,0,0|0,0,2]=3 71 B7R0.1 CCCC\C=C\CO D90932 [0,1,0,0,0,0|0,0,2]=3 72 B7R0.1 CCCNCCOC D91418 [0,1,0,0,0,0|1,0,1]=3 73 B7R0.1 CCCOCCCN D92070 [0,1,0,0,0,0|1,0,2]=4 74 B7R0.1 CCC\C=C/CCC D91812 [0,1,0,0,0,0|1,0,0]=2 75 B7R0.1 CCC\C=C\CCC D91813 [0,1,0,0,0,0|1,0,0]=2 76 B7R0.1 CCNCCCCO D90525 [0,1,0,0,0,0|0,0,2]=3 77 B7R0.1 CCNCCNCC F15441 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.1 CC\C=C/CCCC T71802 [0,1,0,0,0,0|1,0,0]=2 79 B7R0.1 CC\C=C/CCCO D90956 [0,1,0,0,0,0|0,0,0]=1 80 B7R0.1 CC\C=C\CCC=O D90892 [0,1,0,0,0,0|0,0,1]=2 81 B7R0.1 CC\C=C\CCCC D91811 [0,1,0,0,0,0|1,0,0]=2 82 B7R0.1 CNCCCCOC AT13062 [0,1,0,0,0,0|1,0,2]=4 83 B7R0.1 C\C=C\CCCCC D91810 [0,1,0,0,0,0|1,0,2]=4 84 B7R0.1 NCCSSCCN D97659 [0,1,0,0,0,0|3,0,0]=4 85 B7R0.3 C=C(CC)CCCC D90439 [0,1,0,0,0,0|1,0,1]=3 86 B7R0.3 CCC(=O)NCCO D90897 [0,1,0,0,0,0|1,0,0]=2 87 B7R0.3 CCCC[C@@H](Br)CC D88770 [0,1,0,0,0,0|1,0,2]=4 88 B7R0.3 CCCC[C@@H](C)CC D91318 [0,1,0,0,0,0|1,0,2]=4 89 B7R0.3 CCCNC(=O)CCl D95642 [0,1,0,0,0,0|3,0,0]=4 90 B7R0.3 CCCN[C@@H](C)CC D88748 [0,1,0,0,0,0|2,0,1]=4 91 B7R0.3 CCCOC(=O)CN 77506 [0,1,0,0,0,0|3,0,0]=4 92 B7R0.3 CCC\C=C(/C)CC D91421 [0,1,0,0,0,0|1,0,0]=2 93 B7R0.3 CC[C@H](C)CCCO T71938 [0,1,0,0,0,0|0,0,2]=3 94 B7R0.3 CC\C=C\[C@@H](C)CC T71711 [0,1,0,0,0,0|1,0,0]=2 95 B7R0.3 COC(=O)NCCO AT13704 [0,1,0,0,0,0|2,0,0]=3 96 B7R0.3 CSCC[C@H](N)CO A10464 [0,1,0,0,0,0|1,0,2]=4 97 B7R0.3 CSCC[C@H](N)CO F11073 [0,1,0,0,0,0|1,0,2]=4 98 B7R0.4 CC(=O)NCCCO W12709 [0,1,0,0,0,0|1,0,2]=4 99 B7R0.4 CC(C)CSCCO D91112 [0,1,0,0,0,0|1,0,1]=3 100 B7R0.4 CC(C)NCCCN D91145 [0,1,0,0,0,0|2,0,1]=4 101 B7R0.4 CCC#CC[C@H](C)O D90879 [0,1,0,0,0,0|0,0,2]=3 102 B7R0.4 CCCCCC(C)C D91346 [0,1,0,0,0,0|1,0,2]=4 103 B7R0.4 CCCCC[C@H](C)Cl D89310 [0,1,0,0,0,0|1,0,2]=4 104 B7R0.4 CCCCC[C@H](C)N E70476 [0,1,0,0,0,0|1,0,2]=4 105 B7R0.4 CCCCC[C@H](C)O D97162 [0,1,0,0,0,0|0,0,2]=3 106 B7R0.4 CCOCCC(=O)O F11739 [0,1,0,0,0,0|1,0,2]=4 107 B7R0.4 CN(C)CCCCO O11091 [0,1,0,0,0,0|1,0,2]=4 108 B7R0.4 OCCOCC(F)F AT25469 [0,1,0,0,0,0|2,0,1]=4 109 B7R0.7 CCCC(C)CCC D91347 [0,1,0,0,0,0|1,0,2]=4 110 B7R0.7 CCOC(=O)CC#N C90336 [0,1,0,0,0,0|2,0,1]=4 111 B7R0.7 CCSC(=O)SCC T71137 [0,1,0,0,0,0|3,0,0]=4 112 B7R0.7 O=C(CCO)CCO 20750 [0,1,0,0,0,0|1,0,1]=3 113 B7R1.1 C=CC1=NCCO1 L10092 [0,0,0,1,0,0|1,0,2]=4 114 B7R1.1 CCC1=CC=CN1 D90555 [0,0,0,1,0,0|1,0,2]=4 115 B7R1.1 CCC1=CCCC1 T72078 [0,0,0,1,0,0|1,0,0]=2 116 B7R1.1 CCC1=NCCN1 D90467 [0,0,0,1,0,0|2,0,0]=3 117 B7R1.1 COC1=CC=CO1 F10347 [0,0,0,1,0,0|1,0,2]=4 118 B7R1.1 NCC1=CC=CO1 AT17186 [0,0,0,1,0,0|1,0,2]=4 119 B7R1.1 NC[C@H]1CCCO1 S10918 [0,0,0,1,0,0|1,0,2]=4 120 B7R1.1 OCC1=NNC=C1 O10009 [0,0,0,1,0,0|2,0,1]=4 121 B7R1.1 OC[C@H]1CCCN1 11149 [0,0,0,1,0,0|1,0,1]=3 122 B7R1.3 CC1=CCC=CC1 D91336 [0,0,0,1,0,0|1,0,2]=4 123 B7R1.3 C[C@@H]1C=CCCC1 D91429 [0,0,0,1,0,0|1,0,0]=2 124 B7R1.3 C[C@@H]1CC=CCC1 D91581 [0,0,0,1,0,0|1,0,0]=2 125 B7R1.3 C[C@H]1CCOCO1 D91290 [0,0,0,1,0,0|1,0,2]=4 126 B7R1.3 ClC1CCNCC1 F14708 [0,0,0,1,0,0|2,0,1]=4 127 B7R1.3 Cl[C@@H]1C=CCCC1 T70633 [0,0,0,1,0,0|2,0,0]=3 128 B7R1.3 FC1CCCCC1 H10408 [0,0,0,1,0,0|1,0,2]=4 129 B7R1.3 F[C@H]1CCCNC1 P18988 [0,0,0,1,0,0|2,0,1]=4 130 B7R1.3 NC1CCCCC1 D89563 [0,0,0,1,0,0|1,0,2]=4 131 B7R1.3 N[C@H]1CCCNC1 C13585 [0,0,0,1,0,0|2,0,1]=4 132 B7R1.4 O[C@H]1CCC[C@@H]1O F52991 [0,0,0,1,0,0|1,0,2]=4 133 B7R1.4 O[C@H]1COC[C@H]1O P15622 [0,0,0,1,0,0|2,0,1]=4 134 B7R1.7 CCCC[C@H]1CO1 D90517 [0,0,0,1,0,0|0,0,2]=3 135 B7R1.7 CCOC[C@H]1CO1 S11916 [0,0,0,1,0,0|1,0,1]=3 136 B7R1.24 C1=CCCCCC1 D89286 [0,0,0,1,0,0|1,0,0]=2 137 B7R1.24 C1CCCCCC1 D89252 [0,0,0,1,0,0|1,0,2]=4 138 B7R1.24 C1CCCOCC1 D90874 [0,0,0,1,0,0|0,0,2]=3 139 B4R0.2 C#CCCC D91892 [2,0,0,0,0,0|1,0,1]=4 140 B4R0.2 C=CCC#N H10716 [2,0,0,0,0,0|1,0,1]=4 141 B4R0.2 C=CCC=C D91889 [2,0,0,0,0,0|1,0,1]=4 142 B4R0.2 C=CSCC D90486 [2,0,0,0,0,0|1,0,1]=4 143 B4R0.2 C=C\C=C\C D91991 [2,0,0,0,0,0|0,0,2]=4 144 B4R0.2 CC#CCC D91988 [2,0,0,0,0,0|0,0,2]=4 145 B4R0.2 CCCCC D91890 [2,0,0,0,0,0|0,0,1]=3 146 B4R0.2 CCCCN T70340 [2,0,0,0,0,0|1,0,0]=3 147 B4R0.2 CCCNN AC6659 [2,0,0,0,0,0|2,0,0]=4 148 B4R0.2 CCCOC D91344 [2,0,0,0,0,0|1,0,1]=4 149 B4R0.2 CCCON AC8673 [2,0,0,0,0,0|2,0,0]=4 150 B4R0.2 CCCSC D91585 [2,0,0,0,0,0|1,0,1]=4 151 B4R0.2 CCNCC D89660 [2,0,0,0,0,0|1,0,0]=3 152 B4R0.2 CCOC=N A11323 [2,0,0,0,0,0|2,0,0]=4 153 B4R0.2 CCSCC W13859 [2,0,0,0,0,0|1,0,0]=3 154 B4R0.2 CSCCN F53618 [2,0,0,0,0,0|2,0,0]=4 155 B4R0.2 C\C=C/CBr D88665 [2,0,0,0,0,0|1,0,0]=3 156 B4R0.2 C\C=C\CC D91989 [2,0,0,0,0,0|0,0,0]=2 157 B4R0.2 C\C=C\CCl D89204 [2,0,0,0,0,0|1,0,0]=3 158 B4R0.2 C\C=C\CO 41794 [2,0,0,0,0,0|0,0,0]=2 159 B4R0.2 ClCCCCl D89645 [2,0,0,0,0,0|2,0,0]=4 160 B4R0.2 Cl\C=C/CCl D78377 [2,0,0,0,0,0|2,0,0]=4 161 B4R0.2 FCCCF F10308 [2,0,0,0,0,0|2,0,0]=4 162 B4R0.2 NCCCN D88819 [2,0,0,0,0,0|2,0,0]=4 163 B4R0.2 NCCCO D88258 [2,0,0,0,0,0|1,0,0]=3 164 B6R0.1 CCC[C@@H](C)CC D91320 [1,1,0,0,0,0|0,0,2]=4 165 B6R0.1 CCC[C@@H](O)CC F16582 [1,1,0,0,0,0|0,0,2]=4 166 B6R0.1 CCC[C@H](N)CO A10465 [1,1,0,0,0,0|0,0,1]=3 167 B6R0.1 CCC[C@H](N)CO A10469 [1,1,0,0,0,0|0,0,1]=3 168 B6R0.1 CCC\C(N)=N\O F10437 [1,1,0,0,0,0|1,0,1]=4 169 B6R0.1 CCNC(=O)CC D90484 [1,1,0,0,0,0|1,0,0]=3 170 B6R0.1 CCNC(=O)CCl 71051 [1,1,0,0,0,0|2,0,0]=4 171 B6R0.1 CCNC(=O)CN C15442 [1,1,0,0,0,0|2,0,0]=4 172 B6R0.1 CCNC(=O)NC 81497 [1,1,0,0,0,0|2,0,0]=4 173 B6R0.1 CCOC(=O)CBr D88162 [1,1,0,0,0,0|2,0,0]=4 174 B6R0.1 CCOC(=O)CF A10822 [1,1,0,0,0,0|2,0,0]=4 175 B6R0.1 CCOC(=O)NO 74124 [1,1,0,0,0,0|2,0,0]=4 176 B6R0.1 CCO[C@@H](Cl)CCl D89636 [1,1,0,0,0,0|2,0,0]=4 177 B6R0.1 CCSC(=O)CC D90578 [1,1,0,0,0,0|1,0,0]=3 178 B6R0.1 CC[C@H](C)CCO D91364 [1,1,0,0,0,0|0,0,1]=3 179 B6R0.1 CC[C@H](C)CCO T72450 [1,1,0,0,0,0|0,0,1]=3 180 B6R0.1 CC[S@](=O)CCCl D80955 [1,1,0,0,0,0|2,0,0]=4 181 B6R0.1 CC\C=C(/C)C=O D91397 [1,1,0,0,0,0|0,0,2]=4 182 B6R0.1 CNC(=O)CCN AT18765 [1,1,0,0,0,0|2,0,0]=4 183 B6R0.1 COC(=O)CCN D87779 [1,1,0,0,0,0|2,0,0]=4 184 B6R0.1 C[C@H](CO)CCN T71428 [1,1,0,0,0,0|1,0,1]=4 185 B6R0.1 C\C=C\[C@@H](C)CC D91310 [1,1,0,0,0,0|1,0,0]=3 186 B6R0.4 C=C(C)CCCC D91349 [1,1,0,0,0,0|1,0,1]=4 187 B6R0.4 CC(=O)NCCCl 57501 [1,1,0,0,0,0|2,0,0]=4 188 B6R0.4 CC(C)NCCN D91135 [1,1,0,0,0,0|2,0,0]=4 189 B6R0.4 CC(C)OCCN AT12492 [1,1,0,0,0,0|2,0,0]=4 190 B6R0.4 CC(C)SCCN AT25564 [1,1,0,0,0,0|2,0,0]=4 191 B6R0.4 CC(C)SCCO D91113 [1,1,0,0,0,0|1,0,0]=3 192 B6R0.4 CCCC=C(C)C T72209 [1,1,0,0,0,0|1,0,0]=3 193 B6R0.4 CCCCC(C)C D91294 [1,1,0,0,0,0|0,0,2]=4 194 B6R0.4 CCCC[C@H](C)Br D88771 [1,1,0,0,0,0|0,0,2]=4 195 B6R0.4 CCCC[C@H](C)Cl D89320 [1,1,0,0,0,0|0,0,2]=4 196 B6R0.4 CCCC[C@H](C)N A12776 [1,1,0,0,0,0|0,0,2]=4 197 B6R0.4 CCCC[C@H](C)O D97165 [1,1,0,0,0,0|0,0,1]=3 198 B6R0.4 CCCC[C@H](C)O D97166 [1,1,0,0,0,0|0,0,1]=3 199 B6R0.4 CCCSC(C)C D92018 [1,1,0,0,0,0|1,0,1]=4 200 B6R0.4 CCNC[C@H](C)O D90604 [1,1,0,0,0,0|1,0,0]=3 201 B6R0.4 C\C=C\CC(C)C D91309 [1,1,0,0,0,0|1,0,0]=3 202 B8R0.1 CCCCC(=O)CCC T72667 [0,2,0,0,0,0|1,0,1]=4 203 B8R0.1 CCOC(=O)CCCCl D89301 [0,2,0,0,0,0|1,0,1]=4 204 B8R0.1 CCOC(=O)NCCO AT13708 [0,2,0,0,0,0|1,0,0]=3 205 B8R0.1 CC\C=C\C(=O)OCC D80177 [0,2,0,0,0,0|1,0,1]=4 206 B8R0.1 C\C=C\C(=O)CCCC T72492 [0,2,0,0,0,0|1,0,1]=4 207 B8R0.4 C=CCCCCCCO F14752 [0,2,0,0,0,0|0,0,2]=4 208 B8R0.4 CCCCC#CCCO D91816 [0,2,0,0,0,0|0,0,2]=4 209 B8R0.4 CCCCCC#CCO D91880 [0,2,0,0,0,0|0,0,2]=4 210 B8R0.4 CCCC\C=C\CCO D91844 [0,2,0,0,0,0|0,0,0]=2 211 B8R0.4 CCC\C=C/CCCC D91694 [0,2,0,0,0,0|1,0,0]=3 212 B8R0.4 CCC\C=C\CCCC D91695 [0,2,0,0,0,0|1,0,0]=3 213 B8R0.4 CC\C=C/CCCCO D91845 [0,2,0,0,0,0|0,0,0]=2 214 B8R0.4 COCCCCCOC D90119 [0,2,0,0,0,0|0,0,2]=4 215 B8R0.6 C#C[C@@H](O)CCCCC 51066 [0,2,0,0,0,0|0,0,2]=4 216 B8R0.6 C#C[C@@H](O)CCCCC D91830 [0,2,0,0,0,0|0,0,2]=4 217 B8R0.6 CCCCC[C@H](O)CO D90979 [0,2,0,0,0,0|0,0,2]=4 218 B8R0.6 COCCOC(=O)CCl D89396 [0,2,0,0,0,0|2,0,0]=4 219 B8R0.7 CCCC\C=C\C(C)=O D91847 [0,2,0,0,0,0|1,0,1]=4 220 B8R0.7 CCC\C=C/CC(=O)O D90865 [0,2,0,0,0,0|0,0,1]=3 221 B8R0.3 CCCC(=O)[C@@H](C)CC D91475 [0,2,0,0,0,0|1,0,1]=4 222 B8R0.3 CCOC(=O)[C@@H](N)CS F20749 [0,2,0,0,0,0|1,1,0]=4 223 B8R0.8 CCCOC(=O)C(C)C D91081 [0,2,0,0,0,0|2,0,0]=4 224 B8R0.9 CC(C)NC[C@H](O)CO AT17752 [0,2,0,0,0,0|1,0,1]=4 225 B8R0.9 CC(C)NC[C@H](O)CO AT17755 [0,2,0,0,0,0|1,0,1]=4 226 B8R0.9 CCC(C)CCC(C)O D91466 [0,2,0,0,0,0|0,0,2]=4 227 B8R0.11 CCCCC(CO)CO 36758 [0,2,0,0,0,0|0,0,2]=4 228 B8R0.11 CCC\C=C(\C=O)CC D90438 [0,2,0,0,0,0|1,0,0]=3 229 B8R0.5 CCCC(=O)NC(C)C D84298 [0,2,0,0,0,0|2,0,0]=4 230 B8R0.5 CCCC(=O)OC(C)C D88682 [0,2,0,0,0,0|2,0,0]=4 231 B8R0.21 CCC\C=C\C(C)(C)C T70509 [0,2,0,0,0,0|1,0,0]=3 232 B8R0.28 CC(C)CCC[C@H](C)O D91384 [0,2,0,0,0,0|0,0,2]=4 233 B8R0.30 CCOS(=O)(=O)CCO 76905 [0,2,0,0,0,0|2,0,0]=4 234 B6R1.1 C1=CCC=CC1 D89254 [1,0,0,1,0,0|0,0,2]=4 235 B6R1.1 C1CCOCC1 H11250 [1,0,0,1,0,0|0,0,1]=3 236 B6R1.1 C1CNCCN1 D91965 [1,0,0,1,0,0|2,0,0]=4 237 B6R1.1 C1COCCO1 D88955 [1,0,0,1,0,0|1,0,0]=3 238 B6R1.1 C1COCOC1 D89730 [1,0,0,1,0,0|1,0,1]=4 239 B6R1.2 CC1=CCCC1 A10734 [1,0,0,1,0,0|1,0,0]=3 240 B6R1.2 CC1OCCO1 D91291 [1,0,0,1,0,0|1,0,0]=3 241 B6R1.2 C[C@H]1CCCN1 W10111 [1,0,0,1,0,0|1,0,1]=4 242 B6R1.2 C[C@H]1COCO1 D91404 [1,0,0,1,0,0|1,0,1]=4 243 B6R1.2 OC1CCCC1 25002 [1,0,0,1,0,0|0,0,1]=3 244 B6R1.2 O[C@H]1CCNC1 O12064 [1,0,0,1,0,0|1,0,0]=3 245 B6R1.2 [Mg+]C1CCCC1 FD10627 [1,0,0,1,0,0|1,0,1]=4 246 B6R1.3 CCC[C@H]1CO1 D90574 [1,0,0,1,0,0|0,0,1]=3 247 B6R1.3 CSC[C@H]1CO1 F19305 [1,0,0,1,0,0|1,0,1]=4 248 B6R1.8 CC1CC1CO 73978 [1,0,0,1,0,0|0,0,1]=3 249 B8R1.2 BrC[C@H]1CCCCO1 N11991 [0,1,0,1,0,0|0,0,2]=4 250 B8R1.2 C=C[C@@H]1CC=CCC1 D92779 [0,1,0,1,0,0|1,0,0]=3 251 B8R1.2 CC[C@H]1CNCCO1 S12054 [0,1,0,1,0,0|0,0,2]=4 252 B8R1.2 COC1=CCC=CC1 78369 [0,1,0,1,0,0|0,0,2]=4 253 B8R1.2 COC1=CCCCC1 D87534 [0,1,0,1,0,0|2,0,0]=4 254 B8R1.2 COC1=CCOCC1 82148 [0,1,0,1,0,0|2,0,0]=4 255 B8R1.2 COC1CCCCC1 D91594 [0,1,0,1,0,0|0,0,2]=4 256 B8R1.2 CO[C@H]1CCCNC1 37170 [0,1,0,1,0,0|1,0,1]=4 257 B8R1.2 N#C[C@@H]1CC=CCC1 F16653 [0,1,0,1,0,0|1,0,0]=3 258 B8R1.2 NC[C@H]1COCCO1 F10419 [0,1,0,1,0,0|1,0,1]=4 259 B8R1.2 NOC1CCCCC1 97660 [0,1,0,1,0,0|0,0,2]=4 260 B8R1.2 O=C[C@@H]1CC=CCC1 28448 [0,1,0,1,0,0|0,0,1]=3 261 B8R1.2 OCC1CCNCC1 P19521 [0,1,0,1,0,0|0,0,2]=4 262 B8R1.2 OC[C@H]1CNCCN1 D76640 [0,1,0,1,0,0|1,0,1]=4 263 B8R1.2 OC[C@H]1CNCCO1 F18491 [0,1,0,1,0,0|1,0,1]=4 264 B8R1.5 C[C@@H]1CCCC[C@@H]1O D91322 [0,1,0,1,0,0|0,0,2]=4 265 B8R1.5 C[C@H]1CCCC[C@@H]1O T72898 [0,1,0,1,0,0|0,0,2]=4 266 B8R1.5 O[C@H]1CCCC[C@H]1O D73189 [0,1,0,1,0,0|0,0,2]=4 267 B8R1.8 CCCC1=CC=CO1 D92136 [0,1,0,1,0,0|0,0,2]=4 268 B8R1.8 COC[C@H]1CCCN1 11151 [0,1,0,1,0,0|1,0,1]=4 269 B8R1.8 OCCC1=CNC=N1 37556 [0,1,0,1,0,0|1,0,1]=4 270 B8R1.8 OCCN1C=CC=C1 T72813 [0,1,0,1,0,0|0,0,2]=4 271 B8R1.22 O=C1CCCCCC1 D89253 [0,1,0,1,0,0|1,0,1]=4 272 B8R1.22 O=C1CCOCCO1 T70817 [0,1,0,1,0,0|1,0,0]=3 273 B8R1.22 O[C@H]1CNCCOC1 72606 [0,1,0,1,0,0|1,0,1]=4 274 B8R1.1 O=C1C[C@H](CO)CN1 D84364 [0,1,0,1,0,0|1,0,1]=4 275 B8R1.3 C[C@H]1CC[C@@H](O)CC1 D91323 [0,1,0,1,0,0|0,0,2]=4 276 B8R1.3 NC1CCC(O)CC1 AB1056 [0,1,0,1,0,0|0,0,2]=4 277 B8R1.3 N[C@H]1CC[C@@H](O)CC1 N11961 [0,1,0,1,0,0|0,0,2]=4 278 B8R1.4 CC1CCOC(C)O1 D89707 [0,1,0,1,0,0|1,0,1]=4 279 B8R1.4 CC1CNCC(C)O1 F17632 [0,1,0,1,0,0|1,0,1]=4 280 B8R1.4 C[C@H]1CCCC(=O)C1 94623 [0,1,0,1,0,0|1,0,1]=4 281 B8R1.4 C[C@H]1CNC[C@H](C)O1 P20445 [0,1,0,1,0,0|1,0,1]=4 282 B8R1.4 NC1CCCC(O)C1 O10943 [0,1,0,1,0,0|0,0,2]=4 283 B8R1.7 C[C@H](O)C1=CC=CO1 F17602 [0,1,0,1,0,0|0,0,2]=4 284 B8R1.7 O=C(O)[C@@H]1C=CCO1 60334 [0,1,0,1,0,0|1,0,1]=4 285 B8R1.72 OC1(O)CCNCC1 A10297 [0,1,0,1,0,0|1,0,1]=4 286 B8R2.34 C1OC2CNC1C2 P17264 [0,0,0,2,0,0|1,0,1]=4