0 B10R0.71 C#CCCCCCCCCC CDS001229 [0,0,0,0,0,0|1,0,1]=2 1 B10R0.71 C=CCC/C=C\CCCCO S310573 [0,0,0,0,0,0|0,0,4]=4 2 B10R0.71 CCCCCCCCCCF S570354 [0,0,0,0,0,0|1,0,0]=1 3 B10R0.71 CCCCCCCCN=C=S CDS013725 [0,0,0,0,0,0|1,1,1]=3 4 B10R0.71 CCCCCCCCSCC S570656 [0,0,0,0,0,0|2,0,0]=2 5 B10R0.71 CCCCCCCSCCO S362220 [0,0,0,0,0,0|1,0,0]=1 6 B10R0.71 CCCCCCNCCCC OTV000454 [0,0,0,0,0,0|2,0,0]=2 7 B10R0.71 CCCCCCOCCCN S392022 [0,0,0,0,0,0|2,0,0]=2 8 B10R0.71 CCCCCNCCCCC S503770 [0,0,0,0,0,0|2,0,0]=2 9 B10R0.71 CCOCCNCCOCC CDS000629 [0,0,0,0,0,0|4,0,0]=4 10 B10R0.71 COCCCCCCCCN PH012543 [0,0,0,0,0,0|2,0,0]=2 11 B10R0.71 ICCCCCCCCCI S764507 [0,0,0,0,0,0|2,0,0]=2 12 B10R0.71 NCCCOCCOCCO PH002424 [0,0,0,0,0,0|3,0,0]=3 13 B10R0.71 [NH2+](CCCCl)CCCCCC R738158 [0,0,0,0,0,0|2,0,0]=2 14 B9R0.45 C(=C/CCCCO)\CCI T166057 [1,0,0,0,0,0|1,0,2]=4 15 B9R0.45 C(=C\CCCCO)\CCI T166065 [1,0,0,0,0,0|1,0,2]=4 16 B9R0.45 CCC#CCCOCCO S722189 [1,0,0,0,0,0|1,0,2]=4 17 B9R0.45 CCCCCCC#CCBr PH009441 [1,0,0,0,0,0|1,0,2]=4 18 B9R0.45 CCCCCCCCNC CDS003222 [1,0,0,0,0,0|1,0,0]=2 19 B9R0.45 CCCCCCCCON PH014161 [1,0,0,0,0,0|2,0,0]=3 20 B9R0.45 CCCCCCCC[Hg]Cl S572551 [1,0,0,0,0,0|2,0,0]=3 21 B9R0.45 CCCCCCCN=C=S PH011071 [1,0,0,0,0,0|1,1,1]=4 22 B9R0.45 CCCCCCOCC#N S240370 [1,0,0,0,0,0|2,0,1]=4 23 B9R0.45 CCCCCCSCCO S362344 [1,0,0,0,0,0|1,0,0]=2 24 B9R0.45 CCCCCNCCC#N PH011475 [1,0,0,0,0,0|2,0,1]=4 25 B9R0.45 CCCCCNCCCC OTV000733 [1,0,0,0,0,0|1,0,0]=2 26 B9R0.45 CCCCNCCCCO PH011467 [1,0,0,0,0,0|1,0,0]=2 27 B9R0.45 CCCSCCSCCC S347841 [1,0,0,0,0,0|2,0,0]=3 28 B9R0.45 CCSCCCCSCC S347833 [1,0,0,0,0,0|2,0,0]=3 29 B9R0.45 CSCCCCCCSC S347825 [1,0,0,0,0,0|2,0,0]=3 30 B11R0.3 C#CCCCC#CCCCCO S303461 [0,1,0,0,0,0|0,0,3]=4 31 B11R0.3 C=CCCC/C=C/CCCCO S303453 [0,1,0,0,0,0|0,0,3]=4 32 B11R0.3 CC/C=C/CCCCCCCC PH003558 [0,1,0,0,0,0|1,0,1]=3 33 B11R0.3 CCCCCCCCC#CCBr PH009442 [0,1,0,0,0,0|1,0,1]=3 34 B11R0.3 CCCCCCCCCCC#N R750212 [0,1,0,0,0,0|1,0,0]=2 35 B11R0.3 CCCCCCCCCCSC S540161 [0,1,0,0,0,0|0,1,0]=2 36 B11R0.3 CCCCCCCCCC[Hg]Cl S572586 [0,1,0,0,0,0|1,0,0]=2 37 B11R0.3 CCCCCCCCCSCC S547158 [0,1,0,0,0,0|1,0,0]=2 38 B11R0.3 CCCCCCCCNCCN PH000414 [0,1,0,0,0,0|1,0,0]=2 39 B11R0.3 CCCCCCCCNCCN S235881 [0,1,0,0,0,0|1,0,0]=2 40 B11R0.3 CCCCCCCCNCCS PH012947 [0,1,0,0,0,0|0,1,0]=2 41 B11R0.3 CCCCCSSCCCCC CDS000577 [0,1,0,0,0,0|2,0,0]=3 42 B11R0.3 CCCSCCCCSCCC S347868 [0,1,0,0,0,0|2,0,0]=3 43 B11R0.3 COCCCCCCCCOC S344400 [0,1,0,0,0,0|1,0,0]=2 44 B11R0.4 CCCCCCCC(=O)CCC CDS001481 [0,1,0,0,0,0|1,0,1]=3 45 B11R0.4 CCCCCCCC(=O)OCCl PH007966 [0,1,0,0,0,0|2,0,1]=4 46 B11R0.4 CCOC(=O)CCCCCCO R174513 [0,1,0,0,0,0|1,0,1]=3 47 B11R0.40 C=CS(=O)CCCCCCCC R395390 [0,1,0,0,0,0|2,0,1]=4 48 B11R0.40 CCCCCCCCC(O)C#N PH007041 [0,1,0,0,0,0|1,0,1]=3 49 B11R0.40 CCCCCCCCC([NH3+])CO L498629 [0,1,0,0,0,0|0,0,0]=1 50 B11R0.81 CCCCCCC(C)NCCO CDS003690 [0,1,0,0,0,0|1,0,0]=2 51 B11R0.81 O=C(CCCCCO)NCCO PH009131 [0,1,0,0,0,0|2,0,1]=4 52 B11R0.140 CCCCC[Sn](=O)CCCCC S395854 [0,1,0,0,0,0|2,0,0]=3 53 B11R0.148 CCCCCC/C=C/CC(=O)O CDS000299 [0,1,0,0,0,0|0,0,3]=4 54 B11R0.148 CCCCCCCCC=C(C)C T293466 [0,1,0,0,0,0|1,0,2]=4 55 B11R0.148 CCCCCCCCCC(=N)N PH012191 [0,1,0,0,0,0|1,0,1]=3 56 B11R0.148 CCCCCCCCCC(=O)N S549878 [0,1,0,0,0,0|0,0,2]=3 57 B11R0.148 CCCCCCCCCC(C)Br S452572 [0,1,0,0,0,0|1,0,0]=2 58 B11R0.148 CCCCCCCCCC(C)N S540293 [0,1,0,0,0,0|1,0,0]=2 59 B11R0.148 CCCCCCCCSC(=N)N S385239 [0,1,0,0,0,0|2,0,1]=4 60 B11R0.148 CCCCOCCOCC(=O)O CDS000206 [0,1,0,0,0,0|2,0,1]=4 61 B11R0.148 O=C(O)CCCCCCCCBr T333328 [0,1,0,0,0,0|1,0,1]=3 62 B11R0.148 O=C(O)CCCCCCCCO CDS018651 [0,1,0,0,0,0|1,0,1]=3 63 B11R1.4 C(=O)OCCCC1CCCO1 T177563 [0,0,0,1,0,0|2,0,1]=4 64 B11R1.4 CCCCOCC1CCCO1 S866369 [0,0,0,1,0,0|1,0,0]=2 65 B11R1.4 N#CCCCCN1CCCC1 S431273 [0,0,0,1,0,0|2,0,1]=4 66 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1O PH007887 [0,0,0,1,0,0|1,0,2]=4 67 B11R1.17 CC1CCCCN1CCCO S353426 [0,0,0,1,0,0|1,0,0]=2 68 B11R1.17 CCCCC1CCCCC1O S359122 [0,0,0,1,0,0|0,0,0]=1 69 B11R1.17 COCCC1CCCCN1C PH000449 [0,0,0,1,0,0|3,0,0]=4 70 B11R1.26 OCC1CCCCCCC1O T232882 [0,0,0,1,0,0|1,0,0]=2 71 B11R1.28 C=CCCOC1CCCCO1 T241415 [0,0,0,1,0,0|1,0,2]=4 72 B11R1.28 CCCCCC1CCCCC1 S431664 [0,0,0,1,0,0|1,0,0]=2 73 B11R1.28 CCCCCN1CCNCC1 CDS004779 [0,0,0,1,0,0|3,0,0]=4 74 B11R1.28 CCNCCN1CCCCC1 CBR02321 [0,0,0,1,0,0|3,0,0]=4 75 B11R1.28 CNCCCC1CCCCC1 PH010303 [0,0,0,1,0,0|2,0,0]=3 76 B11R1.28 COCCCC1CCCCN1 CBR01367 [0,0,0,1,0,0|2,0,0]=3 77 B11R1.28 COCCCC1CCCNC1 CBR01297 [0,0,0,1,0,0|3,0,0]=4 78 B11R1.28 N#CCCCC1CCCCC1 S432636 [0,0,0,1,0,0|1,0,1]=3 79 B11R1.28 N#CCCCN1CCCCC1 S354856 [0,0,0,1,0,0|2,0,1]=4 80 B11R1.28 NCCCCN1CCCCC1 PH002408 [0,0,0,1,0,0|2,0,0]=3 81 B11R1.28 NCCOCC1CCCCC1 CDS020939 [0,0,0,1,0,0|2,0,0]=3 82 B11R1.28 NNCCCC1CCCCC1 PH019011 [0,0,0,1,0,0|2,0,0]=3 83 B11R1.28 OCCCCN1CCNCC1 CBR00630 [0,0,0,1,0,0|2,0,0]=3 84 B11R1.28 OCCCCN1CCNCC1 PH019353 [0,0,0,1,0,0|2,0,0]=3 85 B11R1.28 SCCNCC1CCCCC1 PH012943 [0,0,0,1,0,0|1,1,0]=3 86 B11R1.41 CCCC\1CCCC/C1=N\O PH008814 [0,0,0,1,0,0|1,0,1]=3 87 B11R1.51 [C@@H]1(CCCCC[C@H]1CO)CO T192716 [0,0,0,1,0,0|1,0,0]=2 88 B11R1.92 C1CCCCCCCCCC1 T330035 [0,0,0,1,0,0|1,0,0]=2 89 B11R1.101 O=C1CCCCCCCCN1 S929964 [0,0,0,1,0,0|1,0,2]=4 90 B11R1.101 OC1CCCC=CCCCC1 S931985 [0,0,0,1,0,0|0,0,2]=3 91 B11R1.117 NCCC1CCCCCCC1 CBR01321 [0,0,0,1,0,0|1,0,0]=2 92 B11R1.180 CCCCCC1CCCC1=O S148938 [0,0,0,1,0,0|0,0,2]=3 93 B11R1.203 CCCCC1CCCCCN1 PH015579 [0,0,0,1,0,0|1,0,0]=2 94 B11R1.203 CNCCN1CCCCCC1 PH017966 [0,0,0,1,0,0|3,0,0]=4 95 B11R1.203 N#CCCN1CCCCCC1 S369098 [0,0,0,1,0,0|2,0,1]=4 96 B11R1.203 NCCCN1CCCCCC1 PH005125 [0,0,0,1,0,0|2,0,0]=3 97 B11R1.203 OCCCN1CCCCCC1 CBR00469 [0,0,0,1,0,0|1,0,0]=2 98 B8R0.4 C#CCCCCCCO SYX00205 [2,0,0,0,0,0|0,0,2]=4 99 B8R0.4 C(=C/CCCCCO)\C T264652 [2,0,0,0,0,0|0,0,2]=4 100 B8R0.4 CC#CCCCCCO T264709 [2,0,0,0,0,0|0,0,2]=4 101 B8R0.4 CCCCCCCSC S570729 [2,0,0,0,0,0|1,0,0]=3 102 B8R0.4 CCCCCCC[Hg]Cl S572500 [2,0,0,0,0,0|2,0,0]=4 103 B8R0.4 CCCCCSCCO S357928 [2,0,0,0,0,0|1,0,0]=3 104 B8R0.4 CCCCNCCCC S367869 [2,0,0,0,0,0|1,0,0]=3 105 B8R0.4 CCCCNCCCC S503894 [2,0,0,0,0,0|1,0,0]=3 106 B8R0.4 CCCCNCCCC S566152 [2,0,0,0,0,0|1,0,0]=3 107 B8R0.4 CCNCCCCCO PH007898 [2,0,0,0,0,0|1,0,0]=3 108 B8R0.4 COCCCNCCO OTV000453 [2,0,0,0,0,0|2,0,0]=4 109 B8R0.4 CSCCCCCCO S931667 [2,0,0,0,0,0|1,0,0]=3 110 B8R0.4 CSCCCCCSC S375896 [2,0,0,0,0,0|2,0,0]=4 111 B8R0.4 OCCCNCCCO PH010217 [2,0,0,0,0,0|2,0,0]=4 112 B8R0.4 [NH2+](CCCC)CCCC S348880 [2,0,0,0,0,0|1,0,0]=3 113 B10R0.4 CC(C)CCCCCCCO PH008704 [1,1,0,0,0,0|0,0,0]=2 114 B10R0.4 CC(O)COCCOCCO S346039 [1,1,0,0,0,0|2,0,0]=4 115 B10R0.4 CCCCCCCCC(=N)N PH012190 [1,1,0,0,0,0|1,0,1]=4 116 B10R0.4 CCCCCCCCC(=O)N S595268 [1,1,0,0,0,0|0,0,2]=4 117 B10R0.4 CCCCCCCCC(C)N T151068 [1,1,0,0,0,0|0,0,0]=2 118 B10R0.4 CCCCCCCC[N+](=O)[O-] S917680 [1,1,0,0,0,0|1,0,1]=4 119 B10R0.4 CCCCCCCNC(=O)C R704377 [1,1,0,0,0,0|1,0,1]=4 120 B10R0.74 CCCCCCCC(=O)CC S544043 [1,1,0,0,0,0|0,0,1]=3 121 B10R0.74 CCCCCCCC(=O)NO CDS000528 [1,1,0,0,0,0|1,0,1]=4 122 B10R0.74 CCCCCCCC(O)CC CDS001495 [1,1,0,0,0,0|0,0,0]=2 123 B12R0.5 CCCCCCCCCCCCN S825913 [0,2,0,0,0,0|1,0,0]=3 124 B12R0.5 CCCCCCCCCCCCN S825956 [0,2,0,0,0,0|1,0,0]=3 125 B12R0.5 CCCCCCCCCCCCN S826987 [0,2,0,0,0,0|1,0,0]=3 126 B12R0.5 CCCCCCCCCCSC#N S345245 [0,2,0,0,0,0|0,1,0]=3 127 B12R0.5 CCCCCCCCCCSCC S546925 [0,2,0,0,0,0|0,1,0]=3 128 B12R0.5 CCCCCCCCNCCCN PH000443 [0,2,0,0,0,0|1,0,0]=3 129 B12R0.5 CCCCCCCCSCCC#N S236233 [0,2,0,0,0,0|1,0,0]=3 130 B12R0.5 CCCCCCNCCCCCC S563226 [0,2,0,0,0,0|1,0,0]=3 131 B12R0.5 ICCCCCCCCCCCI S764493 [0,2,0,0,0,0|1,0,0]=3 132 B12R0.5 NCCCCCCCCCCCN CDS000080 [0,2,0,0,0,0|1,0,0]=3 133 B12R0.5 NCCOCCOCCOCCO CDS020855 [0,2,0,0,0,0|2,0,0]=4 134 B12R0.47 CCCCOCC(O)CNCCN PH007014 [0,2,0,0,0,0|2,0,0]=4 135 B12R0.206 CCCCCCCC(C)NCCO S540285 [0,2,0,0,0,0|0,0,0]=2 136 B12R0.234 CC(=O)NCCCCCCCCN S233641 [0,2,0,0,0,0|1,0,1]=4 137 B12R0.234 CCCCCCCCCCC(=N)N PH012196 [0,2,0,0,0,0|1,0,0]=3 138 B12R0.234 CCCCCCCCCNC(=S)N PH008429 [0,2,0,0,0,0|0,1,1]=4 139 B12R0.234 CCCCCCCCCOC(=O)C S364258 [0,2,0,0,0,0|0,0,2]=4 140 B12R0.234 CCCCCCCCCSC(=N)N PH011951 [0,2,0,0,0,0|1,0,1]=4 141 B12R0.234 CCCCCCCCNCC(=O)N PH010602 [0,2,0,0,0,0|0,0,2]=4 142 B12R0.234 CCCCCCCCOCC(=O)O PH010016 [0,2,0,0,0,0|0,0,1]=3 143 B12R0.234 N#CCCCCCCCCC(=O)O S367591 [0,2,0,0,0,0|0,0,2]=4 144 B12R0.248 CCCCCCCCCC(=O)CC CDS000235 [0,2,0,0,0,0|1,0,0]=3 145 B12R0.248 CCCCCCCCCC(=O)NN S550280 [0,2,0,0,0,0|0,0,2]=4 146 B12R0.248 CCCCCCCCCC([NH3+])CO L498637 [0,2,0,0,0,0|0,0,0]=2 147 B12R0.248 CCCCCCCCNC(=O)CCl S376833 [0,2,0,0,0,0|1,0,1]=4 148 B12R0.248 CCCCCCCCOC(=O)CCl S530727 [0,2,0,0,0,0|1,0,1]=4 149 B12R0.248 COC(=O)CCCCCCCCI T266353 [0,2,0,0,0,0|1,0,1]=4 150 B12R0.248 OCCCCCCCCC(O)CO CDS000271 [0,2,0,0,0,0|0,0,0]=2 151 B12R0.4 CCCCCCCC(=O)CC(C)C S350397 [0,2,0,0,0,0|1,0,1]=4 152 B12R0.4 CCCCCCCC(=O)CC(C)C S879290 [0,2,0,0,0,0|1,0,1]=4 153 B12R0.251 CCCCCCCCC(=O)C(C)C S866784 [0,2,0,0,0,0|1,0,1]=4 154 B12R0.111 CCCCC(CC)COCCCN S392103 [0,2,0,0,0,0|2,0,0]=4 155 B12R0.634 CCCCCS(=O)(=O)CCCCC PH011615 [0,2,0,0,0,0|2,0,0]=4 156 B12R0.268 CC(O)CCCCCCCC(=O)O S888087 [0,2,0,0,0,0|0,0,1]=3 157 B10R1.4 CC1CCCCN1CCN PH015207 [1,0,0,1,0,0|2,0,0]=4 158 B10R1.4 CCCC1CCCCC1O S365769 [1,0,0,1,0,0|0,0,0]=2 159 B10R1.4 CN1CCCCC1CCBr CBR00713 [1,0,0,1,0,0|2,0,0]=4 160 B10R1.4 CNCC1CCCCN1C CBR00038 [1,0,0,1,0,0|2,0,0]=4 161 B10R1.7 BrC1CCCCCCC1Br S39072 [1,0,0,1,0,0|2,0,0]=4 162 B10R1.7 BrC1CCCCCCC1Br S509000 [1,0,0,1,0,0|2,0,0]=4 163 B10R1.7 C=C1CCCCCCC1O T181676 [1,0,0,1,0,0|0,0,2]=4 164 B10R1.7 C=C1CCCCCCC1O T232742 [1,0,0,1,0,0|0,0,2]=4 165 B10R1.7 CC1CCCCCCC1=O S53075 [1,0,0,1,0,0|0,0,2]=4 166 B10R1.17 BrCCCC1CCCCC1 S345016 [1,0,0,1,0,0|1,0,0]=3 167 B10R1.17 CCCCC1NCCCS1 T149721 [1,0,0,1,0,0|1,1,0]=4 168 B10R1.17 CCCCN1CCOCC1 S551961 [1,0,0,1,0,0|2,0,0]=4 169 B10R1.17 CCCNC1CCCCC1 CDS008806 [1,0,0,1,0,0|1,0,0]=3 170 B10R1.17 CCNCC1CCCCO1 CBR00835 [1,0,0,1,0,0|1,0,0]=3 171 B10R1.17 CCNCC1CNCCO1 CDS015778 [1,0,0,1,0,0|2,0,0]=4 172 B10R1.17 COCCC1CCCCN1 CBR00752 [1,0,0,1,0,0|2,0,0]=4 173 B10R1.17 COCCC1CNCCO1 CBR00148 [1,0,0,1,0,0|2,0,0]=4 174 B10R1.17 ClCCCC1CCCCC1 R426857 [1,0,0,1,0,0|1,0,0]=3 175 B10R1.17 N#CCCC1CCCCC1 PH010247 [1,0,0,1,0,0|1,0,1]=4 176 B10R1.17 O=CCCC1CCCCC1 CDS019184 [1,0,0,1,0,0|0,0,2]=4 177 B10R1.17 OCCCC1CCCCN1 CBR01786 [1,0,0,1,0,0|1,0,0]=3 178 B10R1.17 OCCCC1CCCNC1 CBR00005 [1,0,0,1,0,0|1,0,0]=3 179 B10R1.17 OCCCC1SCCCS1 T292559 [1,0,0,1,0,0|2,0,0]=4 180 B10R1.17 OCCNC1CCCCC1 T308269 [1,0,0,1,0,0|1,0,0]=3 181 B10R1.19 CCC1CNCCCN1C PH019473 [1,0,0,1,0,0|2,0,0]=4 182 B10R1.21 BrCCCCC1OCCO1 CDS000118 [1,0,0,1,0,0|2,0,0]=4 183 B10R1.21 CCNCCN1CCCC1 CBR00390 [1,0,0,1,0,0|2,0,0]=4 184 B10R1.21 NCCCCN1CCCC1 PH010578 [1,0,0,1,0,0|2,0,0]=4 185 B10R1.21 NCCCOC1CCCC1 CBR01499 [1,0,0,1,0,0|2,0,0]=4 186 B10R1.78 CC1CCCCCCCC1 T187364 [1,0,0,1,0,0|0,0,0]=2 187 B10R1.85 CCCN1CCCNCC1 PH014388 [1,0,0,1,0,0|2,0,0]=4 188 B10R1.85 CCNC1CCCCCC1 CBR00395 [1,0,0,1,0,0|1,0,0]=3 189 B10R1.85 ClCCN1CCCCCC1 CDS001460 [1,0,0,1,0,0|2,0,0]=4 190 B10R1.85 NCCC1CCCCCC1 CBR01497 [1,0,0,1,0,0|1,0,0]=3 191 B10R1.85 OCCN1CCCCCC1 S362328 [1,0,0,1,0,0|1,0,0]=3 192 B10R1.185 C1=CCCCCCCCC1 S462977 [1,0,0,1,0,0|0,0,2]=4 193 B12R1.8 C(=O)OCCCC1CCCCO1 T177490 [0,1,0,1,0,0|1,0,1]=4 194 B12R1.8 CCCCCCC1=NCCCS1 PH000572 [0,1,0,1,0,0|0,1,1]=4 195 B12R1.8 CCCCCCC1CCCCC1 S415766 [0,1,0,1,0,0|1,0,0]=3 196 B12R1.8 CCCCCCC1CCNCC1 PH013358 [0,1,0,1,0,0|1,0,0]=3 197 B12R1.8 CCCCSCN1CCCCC1 S506508 [0,1,0,1,0,0|2,0,0]=4 198 B12R1.8 COCCCOC1CCCNC1 PH015375 [0,1,0,1,0,0|2,0,0]=4 199 B12R1.8 COCCOCC1CCCNC1 PH016188 [0,1,0,1,0,0|2,0,0]=4 200 B12R1.8 COCCOCC1CCNCC1 PH014362 [0,1,0,1,0,0|2,0,0]=4 201 B12R1.8 ClCCCCOC1CCCCO1 PH000153 [0,1,0,1,0,0|1,0,0]=3 202 B12R1.8 N#CCCCCN1CCCCC1 S449776 [0,1,0,1,0,0|1,0,1]=4 203 B12R1.8 N#CCCCOC1CCCCO1 PH008808 [0,1,0,1,0,0|1,0,1]=4 204 B12R1.8 NCCCCCN1CCCCC1 OTV000941 [0,1,0,1,0,0|1,0,0]=3 205 B12R1.8 NCCCCCN1CCOCC1 CBR00637 [0,1,0,1,0,0|2,0,0]=4 206 B12R1.8 OCCCCOC1CCCCO1 T244813 [0,1,0,1,0,0|1,0,0]=3 207 B12R1.37 C(=O)OCCCCC1CCCO1 T177369 [0,1,0,1,0,0|1,0,1]=4 208 B12R1.37 CCCCCCCC1=NCCS1 PH008234 [0,1,0,1,0,0|0,1,1]=4 209 B12R1.121 CCC1CCCCN1CCCN PH015340 [0,1,0,1,0,0|1,0,0]=3 210 B12R1.150 O=C1CCCCCCCCC1O S116742 [0,1,0,1,0,0|0,0,1]=3 211 B12R1.169 CCCC1CCCCC1OCC T183857 [0,1,0,1,0,0|1,0,0]=3 212 B12R1.267 COCCN[C@@H]1CCCC[C@H]1O PH016400 [0,1,0,1,0,0|1,0,0]=3 213 B12R1.267 COCCN[C@@H]1CCCC[C@H]1O PH016529 [0,1,0,1,0,0|1,0,0]=3 214 B12R1.329 CCCCB1OCCNCCO1 R823899 [0,1,0,1,0,0|2,0,0]=4 215 B12R1.329 SCCNC1CCCCCCC1 PH012912 [0,1,0,1,0,0|0,1,0]=3 216 B12R1.410 CCC1CCCCCCCCC1 T168122 [0,1,0,1,0,0|1,0,0]=3 217 B12R1.550 C1CCCCCCCCCCC1 S436402 [0,1,0,1,0,0|1,0,0]=3 218 B12R1.1414 CNCCCN1CCCCCC1 PH014363 [0,1,0,1,0,0|2,0,0]=4 219 B12R1.1414 N#CCCCN1CCCCCC1 S373508 [0,1,0,1,0,0|1,0,1]=4 220 B12R1.1414 NCCCCN1CCCCCC1 CBR02326 [0,1,0,1,0,0|1,0,0]=3 221 B12R1.278 CNCC1CCCN(C1)CCO CBR00394 [0,1,0,1,0,0|2,0,0]=4 222 B12R1.1 CN1CCN(CC1)CCCCO CBR01183 [0,1,0,1,0,0|2,0,0]=4 223 B12R1.382 COCCN1CCCC(C1)CO CBR01306 [0,1,0,1,0,0|2,0,0]=4 224 B12R1.382 NCCCN1CCCC(C1)CO CBR01335 [0,1,0,1,0,0|2,0,0]=4 225 B12R1.477 CCC(O)CCCC1OCCO1 T246700 [0,1,0,1,0,0|1,0,0]=3 226 B12R1.30 CCCCC(O)C1CCCCC1 S876666 [0,1,0,1,0,0|1,0,0]=3 227 B12R1.30 O=C(NCCO)C1CCCCC1 R677264 [0,1,0,1,0,0|1,0,1]=4 228 B12R1.1778 O[C@@]1(CCCC[C@@H]1C)CCCO T248355 [0,1,0,1,0,0|0,0,0]=2 229 B12R1.1778 [18OH][C@@]1(CCCC[C@@H]1C)CCCO T244422 [0,1,0,1,0,0|0,0,0]=2 230 B12R1.1778 [18OH][C@]1(CCCC[C@@H]1C)CCCO T244376 [0,1,0,1,0,0|0,0,0]=2 231 B12R1.1778 [18OH][C@]1(CCCC[C@@H]1C)CCCO T244481 [0,1,0,1,0,0|0,0,0]=2 232 B12R1.1785 OCCCC1(CCC=CCC1)O T272116 [0,1,0,1,0,0|0,0,2]=4 233 B12R1.482 C=C1CC1CC(O)CCCCC R240346 [0,1,0,1,0,0|1,0,1]=4 234 B12R1.1631 CC1CCCC(N1CCCN)C PH006800 [0,1,0,1,0,0|2,0,0]=4 235 B12R1.1631 CC1CCCC(N1CCCO)C PH010242 [0,1,0,1,0,0|1,0,0]=3 236 B12R1.75 C/C=C/1\CCCCC1CC(C)O T247464 [0,1,0,1,0,0|0,0,2]=4 237 B12R1.125 CN1CCCCC1CCC(=O)O CBR01004 [0,1,0,1,0,0|1,0,1]=4 238 B12R1.212 N[C@H]1CCCCCC[C@H]1C(=O)O BBO000396 [0,1,0,1,0,0|1,0,1]=4 239 B12R1.252 CC(=O)OCCC1CCCCO1 T177571 [0,1,0,1,0,0|1,0,1]=4 240 B12R1.252 NC(=O)CCCC1CCCCC1 L159417 [0,1,0,1,0,0|0,0,2]=4 241 B12R1.252 O=C(O)CCCC1CCCCC1 S462837 [0,1,0,1,0,0|0,0,1]=3 242 B12R1.252 O=C(O)CCCN1CCCCC1 PH017094 [0,1,0,1,0,0|1,0,1]=4 243 B12R1.252 O=C(O)CCNC1CCCCC1 S373834 [0,1,0,1,0,0|1,0,1]=4 244 B12R1.252 O=C([O-])CCCC1CCCCC1 S462209 [0,1,0,1,0,0|0,0,2]=4 245 B12R1.255 CC(O)CCCCC1CCCO1 R397423 [0,1,0,1,0,0|0,0,0]=2 246 B12R1.283 CC(C)N1CCCCC1CCN CBR01312 [0,1,0,1,0,0|2,0,0]=4 247 B12R1.1343 O=C(O)CCN1CCCCCC1 T318035 [0,1,0,1,0,0|1,0,1]=4 248 B12R1.1392 O=C(O)CN1CCCCCCC1 T318949 [0,1,0,1,0,0|1,0,1]=4 249 B12R2.2 C1CCC(CC1)C2CCCN2 PH009878 [0,0,0,2,0,0|1,0,0]=3 250 B12R2.2 C1CCC(CC1)C2CCNC2 CBR01922 [0,0,0,2,0,0|2,0,0]=4 251 B12R2.2 C1CNCC(C1)C2CCCN2 T317209 [0,0,0,2,0,0|2,0,0]=4 252 B12R2.2 C1CNCC(C1)C2OCCO2 PH012932 [0,0,0,2,0,0|2,0,0]=4 253 B12R2.7 BrC1CCCCC12OCCO2 S514381 [0,0,0,2,0,0|2,0,0]=4 254 B12R2.7 O=C1CCCCC12CCCO2 T287350 [0,0,0,2,0,0|1,0,1]=4 255 B12R2.10 O=C1CCCC1C2CCCC2 S497320 [0,0,0,2,0,0|0,0,2]=4 256 B12R2.10 O[C@H]1CNC[C@@H]1N2CCCC2 CBR00677 [0,0,0,2,0,0|2,0,0]=4 257 B12R2.1812 I[Hg][C@H]1CCCC2CCC1O2 T173592 [0,0,0,2,0,0|2,0,0]=4 258 B12R2.4328 C1=CCCC2(CC1)CCCO2 T272159 [0,0,0,2,0,0|0,0,2]=4 259 B12R2.4328 C1CCCC2(CC1)OCCO2 T168904 [0,0,0,2,0,0|1,0,0]=3 260 B12R2.41 C1CCC2CNCCN2CC1 PH016216 [0,0,0,2,0,0|2,0,0]=4 261 B12R2.24 CC1CCC2CCCCC2N1 PH014078 [0,0,0,2,0,0|1,0,0]=3 262 B12R2.1081 OC1CCNC2C1CCCC2 T318434 [0,0,0,2,0,0|1,0,0]=3 263 B12R2.2412 C12CCCCC1(CCCC2)O T185485 [0,0,0,2,0,0|0,0,0]=2 264 B12R2.44 CC[C@@H]1CN2CCC[C@@H]2CN1 PH016148 [0,0,0,2,0,0|2,0,0]=4 265 B12R2.44 CC[C@@H]1CN2CCC[C@H]2CN1 PH018884 [0,0,0,2,0,0|2,0,0]=4 266 B12R2.324 OC[C@@H]1CCCN1CC2CC2 CBR02173 [0,0,0,2,0,0|1,0,0]=3 267 B12R2.694 O=C1C2CCCCCC1CC2 T187623 [0,0,0,2,0,0|0,0,2]=4 268 B12R2.2102 Br[Hg][C@@H]1CCC2CCCC1O2 T173614 [0,0,0,2,0,0|2,0,0]=4 269 B12R2.2102 I[Hg]C1CCC2CCCC1O2 T173231 [0,0,0,2,0,0|2,0,0]=4 270 B12R2.2102 I[Hg][C@@H]1CCC2CCCC1O2 T173622 [0,0,0,2,0,0|2,0,0]=4 271 B12R2.4370 C1CCC2(CC1)CCCNC2 CDS002157 [0,0,0,2,0,0|2,0,0]=4 272 B12R2.4823 ON=C1C2CCCC1CCC2 T170712 [0,0,0,2,0,0|1,0,1]=4 273 B12R2.2016 C1CCCCC2OC2CCC1 S765066 [0,0,0,2,0,0|0,0,0]=2 274 B12R2.96 [C@H]1(CCC[C@@]12OCCC2Br)O T260207 [0,0,0,2,0,0|2,0,0]=4