0 B5R0.2 C#CCCC#N 74906 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.2 C=CCCC=C F14840 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.2 C=CCOCC D88369 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.2 C=CC\C=C\C F19222 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.2 C=COCCC A10930 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.2 C=COCCCl D89212 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.2 CC#CCCC D90866 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.2 CC#CCCO D92016 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.2 CCC#CCC D90867 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.2 CCC#CCCl T72112 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.2 CCCCC#N 28441 [0,0,0,0,0,0|1,0,2]=3 11 B5R0.2 CCCCCI D91072 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.2 CCCCOC D91343 [0,0,0,0,0,0|1,1,0]=2 13 B5R0.2 CCCCSC T71148 [0,0,0,0,0,0|1,0,0]=1 14 B5R0.2 CCCC[NH2+]C D91287 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.2 CCCN=C=S D91136 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.2 CCCOCC D90426 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.2 CCCSCC H10827 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.2 CCCSSC D91531 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.2 CCC\C=N/O D88680 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.2 CCOCCBr D95434 [0,0,0,0,0,0|3,0,0]=3 21 B5R0.2 CCOCC[NH3+] D90462 [0,0,0,0,0,0|2,0,1]=3 22 B5R0.2 CC[Se][Se]CC T71152 [0,0,0,0,0,0|4,0,0]=4 23 B5R0.2 CC\C=C/CC D90855 [0,0,0,0,0,0|2,0,2]=4 24 B5R0.2 CC\C=C/CO 23141 [0,0,0,0,0,0|2,0,2]=4 25 B5R0.2 CC\C=C\CC D82999 [0,0,0,0,0,0|2,0,2]=4 26 B5R0.2 CSCCC=O A10691 [0,0,0,0,0,0|1,0,1]=2 27 B5R0.2 C\C=C/OCC D90589 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.2 C\C=C\CCC D90853 [0,0,0,0,0,0|2,0,1]=3 29 B5R0.2 N#CCCCO D77639 [0,0,0,0,0,0|3,0,0]=3 30 B5R0.2 NCC#CCCl AT17756 [0,0,0,0,0,0|2,0,2]=4 31 B5R0.2 NOC\C=C\Cl C16845 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.2 S=C=NCCCl D89498 [0,0,0,0,0,0|4,0,0]=4 33 B5R0.2 SCCCCS D88698 [0,0,0,0,0,0|3,0,0]=3 34 B4R0.2 C#CCCC D91892 [1,0,0,0,0,0|1,0,1]=3 35 B4R0.2 C#COCC 29666 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.2 C=CSCC D90486 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.2 CC#CCC D91988 [1,0,0,0,0,0|1,0,1]=3 38 B4R0.2 CCCCC D91890 [1,0,0,0,0,0|1,0,0]=2 39 B4R0.2 CCCCN T70340 [1,0,0,0,0,0|0,0,0]=1 40 B4R0.2 CCCNN AC6659 [1,0,0,0,0,0|1,0,0]=2 41 B4R0.2 CCCOC D91344 [1,0,0,0,0,0|0,1,0]=2 42 B4R0.2 CCCON AC8673 [1,0,0,0,0,0|1,0,0]=2 43 B4R0.2 CCCSC D91585 [1,0,0,0,0,0|0,0,0]=1 44 B4R0.2 CCNCC D89660 [1,0,0,0,0,0|2,0,0]=3 45 B4R0.2 CCOC=N A11323 [1,0,0,0,0,0|1,0,2]=4 46 B4R0.2 CCSC#N D92318 [1,0,0,0,0,0|1,0,2]=4 47 B4R0.2 CCSCC W13859 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.2 CNCC#N D91283 [1,0,0,0,0,0|1,0,2]=4 49 B4R0.2 CNCC#N D91284 [1,0,0,0,0,0|1,0,2]=4 50 B4R0.2 CSCCN F53618 [1,0,0,0,0,0|0,0,0]=1 51 B4R0.2 C\C=C/CBr D88665 [1,0,0,0,0,0|1,0,2]=4 52 B4R0.2 C\C=C\CC D91989 [1,0,0,0,0,0|1,0,1]=3 53 B4R0.2 C\C=C\CCl D89204 [1,0,0,0,0,0|1,0,2]=4 54 B4R0.2 C\C=C\CO 41794 [1,0,0,0,0,0|1,0,2]=4 55 B4R0.2 ClCCCCl D89645 [1,0,0,0,0,0|2,0,0]=3 56 B4R0.2 ClCSCCl T70824 [1,0,0,0,0,0|3,0,0]=4 57 B4R0.2 FCCCF F10308 [1,0,0,0,0,0|2,0,0]=3 58 B4R0.2 N#CCCN AT19970 [1,0,0,0,0,0|1,0,1]=3 59 B4R0.2 NCCCN D88819 [1,0,0,0,0,0|1,0,0]=2 60 B4R0.2 NCCCO D88258 [1,0,0,0,0,0|0,1,0]=2 61 B6R0.1 C#CC[C@@H](O)CC D90880 [0,1,0,0,0,0|2,0,1]=4 62 B6R0.1 C#C[C@@H](O)CCC D90806 [0,1,0,0,0,0|2,0,1]=4 63 B6R0.1 C=CC[C@@H](C)CC D91307 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.1 CCC[C@@H](C)CC D91320 [0,1,0,0,0,0|2,0,0]=3 65 B6R0.1 CCC[C@@H](O)CC F16582 [0,1,0,0,0,0|2,0,0]=3 66 B6R0.1 CCC[C@H](N)CO A10465 [0,1,0,0,0,0|2,0,0]=3 67 B6R0.1 CCC[C@H](N)CO A10469 [0,1,0,0,0,0|2,0,0]=3 68 B6R0.1 CCNC(=O)CN C15442 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.1 CCO[C@@H](Cl)CCl D89636 [0,1,0,0,0,0|3,0,0]=4 70 B6R0.1 CC[C@H](C)CCO D91364 [0,1,0,0,0,0|2,0,0]=3 71 B6R0.1 CC[C@H](C)CCO T72450 [0,1,0,0,0,0|2,0,0]=3 72 B6R0.1 CC[S@](=O)CCCl D80955 [0,1,0,0,0,0|3,0,0]=4 73 B6R0.1 CNC(=O)CCN AT18765 [0,1,0,0,0,0|1,0,1]=3 74 B6R0.1 COC(=O)CCN D87779 [0,1,0,0,0,0|0,1,1]=3 75 B6R0.1 COC[C@H](C)OC D90270 [0,1,0,0,0,0|2,1,0]=4 76 B6R0.1 C[C@H](CO)CCN T71428 [0,1,0,0,0,0|2,0,0]=3 77 B6R0.1 C\C=C\[C@@H](C)CC D91310 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.1 ClC[C@@H](Cl)CCBr D88839 [0,1,0,0,0,0|3,0,0]=4 79 B6R0.1 N#CC[C@H](O)CCl F20534 [0,1,0,0,0,0|3,0,0]=4 80 B6R0.4 C#CCCC(C)C D91300 [0,1,0,0,0,0|2,0,1]=4 81 B6R0.4 C=C(C)CCCC D91349 [0,1,0,0,0,0|2,0,0]=3 82 B6R0.4 C=CCCC(=C)C D91319 [0,1,0,0,0,0|2,0,1]=4 83 B6R0.4 C=CCCC(C)=O D90803 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.4 C=CCCC(C)C D91308 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.4 CC(=O)NCCCl 57501 [0,1,0,0,0,0|3,0,0]=4 86 B6R0.4 CC(C)CCC#N F17038 [0,1,0,0,0,0|1,0,2]=4 87 B6R0.4 CC(C)NCCN D91135 [0,1,0,0,0,0|2,0,0]=3 88 B6R0.4 CC(C)OCCN AT12492 [0,1,0,0,0,0|2,0,0]=3 89 B6R0.4 CC(C)SCCN AT25564 [0,1,0,0,0,0|2,0,0]=3 90 B6R0.4 CC(C)SCCO D91113 [0,1,0,0,0,0|3,0,0]=4 91 B6R0.4 CCCC=C(C)C T72209 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.4 CCCCC(=O)Br D92781 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.4 CCCCC(C)C D91294 [0,1,0,0,0,0|2,0,0]=3 94 B6R0.4 CCCC[C@H](C)Br D88771 [0,1,0,0,0,0|2,0,0]=3 95 B6R0.4 CCCC[C@H](C)Cl D89320 [0,1,0,0,0,0|2,0,0]=3 96 B6R0.4 CCCC[C@H](C)N A12776 [0,1,0,0,0,0|1,0,0]=2 97 B6R0.4 CCCC[C@H](C)O D97165 [0,1,0,0,0,0|2,0,0]=3 98 B6R0.4 CCCC[C@H](C)O D97166 [0,1,0,0,0,0|2,0,0]=3 99 B6R0.4 CCCSC(C)C D92018 [0,1,0,0,0,0|3,0,0]=4 100 B6R0.4 CCNC[C@H](C)O D90604 [0,1,0,0,0,0|3,0,0]=4 101 B6R0.4 CN(C)CCC#N D89696 [0,1,0,0,0,0|1,0,2]=4 102 B6R0.4 CN(C)CCCBr D87723 [0,1,0,0,0,0|2,0,0]=3 103 B6R0.4 CN(C)CCCCl D77998 [0,1,0,0,0,0|2,0,0]=3 104 B6R0.4 CN(C)CCCN D90413 [0,1,0,0,0,0|1,0,0]=2 105 B6R0.4 CNCCC(C)C D72652 [0,1,0,0,0,0|2,0,0]=3 106 B6R0.4 CSCCC(=O)Cl D91387 [0,1,0,0,0,0|1,0,1]=3 107 B6R0.4 C\C=C\CC(C)C D91309 [0,1,0,0,0,0|2,0,1]=4 108 B6R0.6 C#CCCCCC 75208 [0,1,0,0,0,0|2,0,0]=3 109 B6R0.6 C#CCCCCCl 79326 [0,1,0,0,0,0|2,0,1]=4 110 B6R0.6 C#CCOCCN AT12489 [0,1,0,0,0,0|1,0,1]=3 111 B6R0.6 C=CCCCC#N D90957 [0,1,0,0,0,0|1,0,2]=4 112 B6R0.6 C=CCCCCC D90784 [0,1,0,0,0,0|2,0,0]=3 113 B6R0.6 C=CCC\C=C\C T71838 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.6 C=CCSCCC F13976 [0,1,0,0,0,0|2,0,1]=4 115 B6R0.6 CC#CCCCC D90868 [0,1,0,0,0,0|2,0,0]=3 116 B6R0.6 CCC#CCCBr D86950 [0,1,0,0,0,0|2,0,1]=4 117 B6R0.6 CCCCCC#N D90798 [0,1,0,0,0,0|1,0,1]=3 118 B6R0.6 CCCCCCN D91063 [0,1,0,0,0,0|1,0,0]=2 119 B6R0.6 CCCCCC[Mg+] D78455 [0,1,0,0,0,0|2,0,0]=3 120 B6R0.6 CCCCCNN AC4196 [0,1,0,0,0,0|1,0,0]=2 121 B6R0.6 CCCCCSC D88262 [0,1,0,0,0,0|1,0,0]=2 122 B6R0.6 CCCCOCC D88684 [0,1,0,0,0,0|1,1,0]=3 123 B6R0.6 CCCC\C=C\I AT25371 [0,1,0,0,0,0|2,0,1]=4 124 B6R0.6 CCCOCCC D91968 [0,1,0,0,0,0|2,0,0]=3 125 B6R0.6 CCCOCCN D88415 [0,1,0,0,0,0|1,0,0]=2 126 B6R0.6 CCCSCCC D91969 [0,1,0,0,0,0|2,0,0]=3 127 B6R0.6 CCCSCCO D92003 [0,1,0,0,0,0|2,0,0]=3 128 B6R0.6 CCC\C=C/CO D90941 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.6 CC\C=C\CCC D90967 [0,1,0,0,0,0|2,0,1]=4 130 B6R0.6 COCCCNN AC7433 [0,1,0,0,0,0|0,1,0]=2 131 B6R0.6 COCCCOC D87951 [0,1,0,0,0,0|1,1,0]=3 132 B6R0.6 CSCCCC#N D86288 [0,1,0,0,0,0|0,0,1]=2 133 B6R0.6 C\C=C/CCCC D90859 [0,1,0,0,0,0|2,0,0]=3 134 B6R0.6 C\C=C/CCCO D90944 [0,1,0,0,0,0|2,0,0]=3 135 B6R0.6 C\C=C\CCCC D90785 [0,1,0,0,0,0|2,0,0]=3 136 B6R0.6 C\C=C\CCCO D71247 [0,1,0,0,0,0|2,0,0]=3 137 B6R0.6 ClCCCCCCl D89643 [0,1,0,0,0,0|2,0,0]=3 138 B6R0.6 N#CCCCCO D77640 [0,1,0,0,0,0|1,0,2]=4 139 B6R0.6 NCCCCCN 24563 [0,1,0,0,0,0|1,0,0]=2 140 B6R0.6 NCCSCCN AT25574 [0,1,0,0,0,0|2,0,0]=3 141 B6R0.6 NOCCCON AT25379 [0,1,0,0,0,0|1,1,0]=3 142 B6R0.6 SCCOCCS AT13657 [0,1,0,0,0,0|3,0,0]=4 143 B6R1.1 C1CCOCC1 H11250 [0,0,0,1,0,0|1,1,0]=3 144 B6R1.1 C1CNCCN1 D91965 [0,0,0,1,0,0|2,0,0]=3 145 B6R1.1 C1COCCO1 D88955 [0,0,0,1,0,0|2,1,0]=4 146 B6R1.1 C1COCOC1 D89730 [0,0,0,1,0,0|1,1,0]=3 147 B6R1.2 C=C1CCCC1 D91403 [0,0,0,1,0,0|2,0,1]=4 148 B6R1.2 CC1=CCCC1 A10734 [0,0,0,1,0,0|2,0,0]=3 149 B6R1.2 CC1OCCO1 D91291 [0,0,0,1,0,0|3,0,0]=4 150 B6R1.2 C[C@H]1CCCN1 W10111 [0,0,0,1,0,0|1,0,0]=2 151 B6R1.2 C[C@H]1COCO1 D91404 [0,0,0,1,0,0|2,1,0]=4 152 B6R1.2 NC1=NCCN1 D86715 [0,0,0,1,0,0|3,0,0]=4 153 B6R1.2 O=C1CCCS1 W15445 [0,0,0,1,0,0|3,0,0]=4 154 B6R1.2 OC1CCCC1 25002 [0,0,0,1,0,0|2,0,0]=3 155 B6R1.2 O[C@H]1CCNC1 O12064 [0,0,0,1,0,0|2,0,0]=3 156 B6R1.2 [Mg+]C1CCCC1 FD10627 [0,0,0,1,0,0|2,0,0]=3 157 B6R1.3 CCC[C@H]1CO1 D90574 [0,0,0,1,0,0|1,1,0]=3 158 B6R1.3 CSC[C@H]1CO1 F19305 [0,0,0,1,0,0|1,0,0]=2 159 B6R1.6 COC1CNC1 63505 [0,0,0,1,0,0|2,1,0]=4 160 B6R1.6 CSC1CNC1 P11945 [0,0,0,1,0,0|2,0,0]=3 161 B6R1.6 NCC1CNC1 F53083 [0,0,0,1,0,0|1,0,0]=2 162 B6R1.8 CC1CC1CO 73978 [0,0,0,1,0,0|2,0,0]=3 163 B3R0.1 C=CCN 68202 [2,0,0,0,0,0|0,0,2]=4 164 B3R0.1 C=CCS D88323 [2,0,0,0,0,0|0,0,2]=4 165 B3R0.1 CC#CC D88719 [2,0,0,0,0,0|0,0,2]=4 166 B3R0.1 NCCCl D87646 [2,0,0,0,0,0|1,0,0]=3 167 B3R0.1 NCCF D87785 [2,0,0,0,0,0|1,0,0]=3 168 B3R0.1 NCCN D88914 [2,0,0,0,0,0|1,0,0]=3 169 B3R0.1 NCCS D88360 [2,0,0,0,0,0|0,0,0]=2 170 B5R0.1 C#CCC(C)C D91298 [1,1,0,0,0,0|1,0,1]=4 171 B5R0.1 C#CC[C@H](C)O F16209 [1,1,0,0,0,0|1,0,1]=4 172 B5R0.1 CC#CC(C)C D91299 [1,1,0,0,0,0|1,0,1]=4 173 B5R0.1 CC(=O)CCN 89829 [1,1,0,0,0,0|0,0,1]=3 174 B5R0.1 CC(C)CCCl D89213 [1,1,0,0,0,0|1,0,0]=3 175 B5R0.1 CC(C)CCI D91070 [1,1,0,0,0,0|1,0,0]=3 176 B5R0.1 CC(C)CCN D91075 [1,1,0,0,0,0|0,0,0]=2 177 B5R0.1 CC(C)CCS D91090 [1,1,0,0,0,0|1,0,0]=3 178 B5R0.1 CCC=C(C)C D91353 [1,1,0,0,0,0|1,0,1]=4 179 B5R0.1 CCNC(=N)N C11147 [1,1,0,0,0,0|1,0,1]=4 180 B5R0.1 CCNC(N)=S D86340 [1,1,0,0,0,0|1,0,1]=4 181 B5R0.1 CCOC(C)=S 28959 [1,1,0,0,0,0|2,0,0]=4 182 B5R0.1 CCOC(C)C D90509 [1,1,0,0,0,0|2,0,0]=4 183 B5R0.1 CCSC(C)C D90463 [1,1,0,0,0,0|2,0,0]=4 184 B5R0.1 CN(C)CCCl D88148 [1,1,0,0,0,0|2,0,0]=4 185 B5R0.1 CN(C)CCO A11060 [1,1,0,0,0,0|2,0,0]=4 186 B5R0.1 COC[C@H](C)N 88101 [1,1,0,0,0,0|0,1,0]=3 187 B5R0.1 COC[C@H](C)O E72455 [1,1,0,0,0,0|0,1,0]=3 188 B5R0.1 CSC=[N+](C)C D90276 [1,1,0,0,0,0|1,0,1]=4 189 B5R0.1 C[C@H](O)CCN C80087 [1,1,0,0,0,0|0,0,0]=2 190 B5R0.1 C\C=C\C(C)C D91327 [1,1,0,0,0,0|1,0,1]=4 191 B5R0.1 NC(=O)CCCl S12033 [1,1,0,0,0,0|1,0,1]=4 192 B5R0.3 C=C[C@@H](C)CC D91359 [1,1,0,0,0,0|1,0,1]=4 193 B5R0.3 CC[C@H](C)CCl D89366 [1,1,0,0,0,0|1,0,0]=3 194 B5R0.3 CC[C@H](C)OC D88882 [1,1,0,0,0,0|0,1,0]=3 195 B5R0.3 CC[C@H](Cl)CCl D89631 [1,1,0,0,0,0|1,0,0]=3 196 B5R0.3 CC[C@H](S)CS D89045 [1,1,0,0,0,0|1,0,0]=3 197 B5R0.3 COC(C)OC D89692 [1,1,0,0,0,0|1,1,0]=4 198 B5R0.3 C[C@@H](CO)CBr D76160 [1,1,0,0,0,0|1,1,0]=4 199 B5R0.3 C\C=C(/C)CC D91312 [1,1,0,0,0,0|1,0,1]=4 200 B5R0.3 C\C=C(\C)CC T73073 [1,1,0,0,0,0|1,0,1]=4 201 B5R0.3 ClC[C@H](Br)CBr D89298 [1,1,0,0,0,0|2,0,0]=4 202 B5R0.3 OC(CF)CF 96887 [1,1,0,0,0,0|2,0,0]=4 203 B5R0.3 O[C@@H](CF)CCl 94770 [1,1,0,0,0,0|2,0,0]=4 204 B7R0.2 CC[C@H](C)CC(C)C D89783 [0,2,0,0,0,0|2,0,0]=4 205 B7R0.3 C=C(CC)CCCC D90439 [0,2,0,0,0,0|2,0,0]=4 206 B7R0.3 CCCC[C@@H](Br)CC D88770 [0,2,0,0,0,0|2,0,0]=4 207 B7R0.3 CCCC[C@@H](C)CC D91318 [0,2,0,0,0,0|2,0,0]=4 208 B7R0.3 CCCN[C@@H](C)CC D88748 [0,2,0,0,0,0|2,0,0]=4 209 B7R0.3 CCCOC(=O)CN 77506 [0,2,0,0,0,0|1,0,1]=4 210 B7R0.3 CC[C@H](C)CCCO T71938 [0,2,0,0,0,0|2,0,0]=4 211 B7R0.3 CSCC[C@H](N)CO A10464 [0,2,0,0,0,0|0,0,0]=2 212 B7R0.3 CSCC[C@H](N)CO F11073 [0,2,0,0,0,0|0,0,0]=2 213 B7R0.5 CCC[C@H](C)C(C)=O T72174 [0,2,0,0,0,0|2,0,0]=4 214 B7R0.5 CCC[C@H](C)C(C)C T71099 [0,2,0,0,0,0|2,0,0]=4 215 B7R0.5 CCC[C@H](O)C(C)C D91474 [0,2,0,0,0,0|2,0,0]=4 216 B7R0.5 COC[C@H](N)C(C)C AT12989 [0,2,0,0,0,0|1,1,0]=4 217 B7R0.5 NCC[C@H](N)C(=O)O W10603 [0,2,0,0,0,0|2,0,0]=4 218 B7R0.7 CCCC(C)CCC D91347 [0,2,0,0,0,0|2,0,0]=4 219 B7R0.7 CSC[C@@H](O)CNN F19434 [0,2,0,0,0,0|0,0,0]=2 220 B7R0.10 CCC(C)C(C)CC D89816 [0,2,0,0,0,0|2,0,0]=4 221 B7R0.10 CC[C@@H](C)[C@@H](N)CO 28877 [0,2,0,0,0,0|2,0,0]=4 222 B7R0.12 CCCC(OC)OC A11051 [0,2,0,0,0,0|1,1,0]=4 223 B7R0.12 COC(CCCl)OC D89518 [0,2,0,0,0,0|1,1,0]=4 224 B7R0.4 C=C(C)CCCCC D91350 [0,2,0,0,0,0|2,0,0]=4 225 B7R0.4 CC(=O)NCCCO W12709 [0,2,0,0,0,0|2,0,0]=4 226 B7R0.4 CC(C)CSCCO D91112 [0,2,0,0,0,0|2,0,0]=4 227 B7R0.4 CC(C)NCCCN D91145 [0,2,0,0,0,0|1,0,0]=3 228 B7R0.4 CCCCCC(C)C D91346 [0,2,0,0,0,0|2,0,0]=4 229 B7R0.4 CCCCC[C@H](C)Cl D89310 [0,2,0,0,0,0|2,0,0]=4 230 B7R0.4 CCCCC[C@H](C)N E70476 [0,2,0,0,0,0|1,0,0]=3 231 B7R0.4 CCCCC[C@H](C)O D97162 [0,2,0,0,0,0|2,0,0]=4 232 B7R0.4 CCCCOC(Cl)Cl D90026 [0,2,0,0,0,0|1,1,0]=4 233 B7R0.4 CCOCCC(C)=O D90475 [0,2,0,0,0,0|2,0,0]=4 234 B7R0.4 CN(C)CCCCN 77514 [0,2,0,0,0,0|1,0,0]=3 235 B7R0.4 CN(C)CCCCO O11091 [0,2,0,0,0,0|2,0,0]=4 236 B7R0.4 COCCNC(C)C D91419 [0,2,0,0,0,0|1,1,0]=4 237 B7R0.4 NCCCCC(=O)O T70410 [0,2,0,0,0,0|1,0,1]=4 238 B7R0.6 CC(Br)CCC(C)Br D90037 [0,2,0,0,0,0|2,0,0]=4 239 B7R0.6 CC(C)CCC(C)C D89815 [0,2,0,0,0,0|2,0,0]=4 240 B7R0.6 CC(C)CC[C@H](C)Br 31370 [0,2,0,0,0,0|2,0,0]=4 241 B7R0.8 CC(C)(C)OCCN AT12487 [0,2,0,0,0,0|2,0,0]=4 242 B7R0.8 CC(C)(C)SCCN AT13945 [0,2,0,0,0,0|2,0,0]=4 243 B7R0.8 CC(C)(C)SCCN D89178 [0,2,0,0,0,0|2,0,0]=4 244 B7R0.8 CCCCC(C)(C)C D89814 [0,2,0,0,0,0|2,0,0]=4 245 B7R0.8 C[Si](Cl)(Cl)CCCCl I10978 [0,2,0,0,0,0|2,0,0]=4 246 B7R0.1 C#CCCCCCC F10502 [0,2,0,0,0,0|2,0,0]=4 247 B7R0.1 C#CCNCCOC AT20722 [0,2,0,0,0,0|1,1,0]=4 248 B7R0.1 C=CCCCCCC D91846 [0,2,0,0,0,0|2,0,0]=4 249 B7R0.1 C=CCSSCCC D88487 [0,2,0,0,0,0|2,0,0]=4 250 B7R0.1 CC#CCCCCC D91805 [0,2,0,0,0,0|2,0,0]=4 251 B7R0.1 CCC#CCCCC D91806 [0,2,0,0,0,0|2,0,0]=4 252 B7R0.1 CCCC#CCCC D91807 [0,2,0,0,0,0|2,0,0]=4 253 B7R0.1 CCCC#CCCO D90878 [0,2,0,0,0,0|2,0,0]=4 254 B7R0.1 CCCCC#CCO D90877 [0,2,0,0,0,0|2,0,0]=4 255 B7R0.1 CCCCCCC#N D90969 [0,2,0,0,0,0|1,0,1]=4 256 B7R0.1 CCCCCCCC A10542 [0,2,0,0,0,0|2,0,0]=4 257 B7R0.1 CCCCCCCN F17097 [0,2,0,0,0,0|1,0,0]=3 258 B7R0.1 CCCCCCOC D90977 [0,2,0,0,0,0|1,1,0]=4 259 B7R0.1 CCCCCON=O D88264 [0,2,0,0,0,0|1,0,1]=4 260 B7R0.1 CCCCNCCN A10255 [0,2,0,0,0,0|1,0,0]=3 261 B7R0.1 CCCCSCCO T71016 [0,2,0,0,0,0|1,0,0]=3 262 B7R0.1 CCCC\C=C\CO D90932 [0,2,0,0,0,0|2,0,0]=4 263 B7R0.1 CCCNCCOC D91418 [0,2,0,0,0,0|1,1,0]=4 264 B7R0.1 CCCOCCCN D92070 [0,2,0,0,0,0|0,1,0]=3 265 B7R0.1 CCC\C=C/CCC D91812 [0,2,0,0,0,0|2,0,0]=4 266 B7R0.1 CCC\C=C\CCC D91813 [0,2,0,0,0,0|2,0,0]=4 267 B7R0.1 CCNCCCCO D90525 [0,2,0,0,0,0|2,0,0]=4 268 B7R0.1 CCNCCNCC F15441 [0,2,0,0,0,0|2,0,0]=4 269 B7R0.1 CC\C=C/CCCC T71802 [0,2,0,0,0,0|2,0,0]=4 270 B7R0.1 CC\C=C/CCCO D90956 [0,2,0,0,0,0|2,0,0]=4 271 B7R0.1 CC\C=C\CCCC D91811 [0,2,0,0,0,0|2,0,0]=4 272 B7R0.1 CNCCCCOC AT13062 [0,2,0,0,0,0|0,1,0]=3 273 B7R0.1 C\C=C\CCCCC D91810 [0,2,0,0,0,0|2,0,0]=4 274 B7R0.1 NCCSSCCN D97659 [0,2,0,0,0,0|1,0,0]=3 275 B5R1.2 OC1CNC1 S11377 [1,0,0,1,0,0|2,0,0]=4 276 B5R1.3 CC[C@H]1CO1 D89036 [1,0,0,1,0,0|0,1,0]=3 277 B5R1.3 FC[C@H]1CO1 AT22387 [1,0,0,1,0,0|1,1,0]=4 278 B5R1.3 NCC1CC1 AT12997 [1,0,0,1,0,0|0,0,0]=2 279 B5R1.3 OCC1CC1 F10303 [1,0,0,1,0,0|1,0,0]=3 280 B5R1.4 C[C@@H]1O[C@@H]1C D85879 [1,0,0,1,0,0|2,0,0]=4 281 B7R1.1 CCC1=CCCC1 T72078 [0,1,0,1,0,0|2,0,0]=4 282 B7R1.1 CCC1=NCCN1 D90467 [0,1,0,1,0,0|1,0,1]=4 283 B7R1.1 CNC1CCCC1 35688 [0,1,0,1,0,0|1,0,0]=3 284 B7R1.1 CN[C@H]1CCNC1 C14693 [0,1,0,1,0,0|1,0,0]=3 285 B7R1.1 NC[C@H]1CCCO1 S10918 [0,1,0,1,0,0|1,0,0]=3 286 B7R1.1 O=C[C@H]1CCNC1 D87588 [0,1,0,1,0,0|2,0,0]=4 287 B7R1.1 OC[C@H]1CCCN1 11149 [0,1,0,1,0,0|1,0,0]=3 288 B7R1.2 CC1CCC(C)O1 D89954 [0,1,0,1,0,0|2,0,0]=4 289 B7R1.2 CC1CCC(O)C1 D76706 [0,1,0,1,0,0|2,0,0]=4 290 B7R1.3 C[C@@H]1C=CCCC1 D91429 [0,1,0,1,0,0|2,0,0]=4 291 B7R1.3 C[C@@H]1CC=CCC1 D91581 [0,1,0,1,0,0|2,0,0]=4 292 B7R1.3 C[C@H]1CCOCO1 D91290 [0,1,0,1,0,0|1,1,0]=4 293 B7R1.3 ClC1CCNCC1 F14708 [0,1,0,1,0,0|1,0,0]=3 294 B7R1.3 FC1CCCCC1 H10408 [0,1,0,1,0,0|2,0,0]=4 295 B7R1.3 F[C@H]1CCCNC1 P18988 [0,1,0,1,0,0|1,0,0]=3 296 B7R1.3 NC1CCCCC1 D89563 [0,1,0,1,0,0|1,0,0]=3 297 B7R1.3 N[C@H]1CCCNC1 C13585 [0,1,0,1,0,0|1,0,0]=3 298 B7R1.4 ClC1CCOC1Cl D89753 [0,1,0,1,0,0|1,1,0]=4 299 B7R1.4 N[C@@H]1COC[C@@H]1N P15642 [0,1,0,1,0,0|0,1,0]=3 300 B7R1.4 O[C@H]1CCC[C@@H]1O F52991 [0,1,0,1,0,0|2,0,0]=4 301 B7R1.4 O[C@H]1COC[C@H]1O P15622 [0,1,0,1,0,0|1,1,0]=4 302 B7R1.6 CNCC1CCC1 F20091 [0,1,0,1,0,0|1,0,0]=3 303 B7R1.6 COCC1CCN1 P15056 [0,1,0,1,0,0|0,1,0]=3 304 B7R1.10 C=C1CC(CN)C1 AT20250 [0,1,0,1,0,0|1,0,0]=3 305 B7R1.25 CC1(CN)COC1 59848 [0,1,0,1,0,0|0,1,0]=3 306 B7R1.25 NCC1(O)CCC1 F53390 [0,1,0,1,0,0|1,0,0]=3 307 B7R1.7 CCCC[C@H]1CO1 D90517 [0,1,0,1,0,0|1,1,0]=4 308 B7R1.7 CCOC[C@H]1CO1 S11916 [0,1,0,1,0,0|1,1,0]=4 309 B7R1.12 CC1CC1C(N)=O CS1530 [0,1,0,1,0,0|1,0,1]=4 310 B7R1.24 C1=CCCCCC1 D89286 [0,1,0,1,0,0|2,0,0]=4 311 B7R1.24 C1CCCCCC1 D89252 [0,1,0,1,0,0|2,0,0]=4 312 B7R1.24 C1CCCOCC1 D90874 [0,1,0,1,0,0|1,1,0]=4