0 B9R0.46 CCCCCC/C(=N/O)/C S648302 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.46 CCCCCC[C@@H](C)CBr PH007998 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.46 CCCCCNC(=O)CCl S627690 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.46 CCCCOCC(O)CCl R345563 [0,0,0,0,0,0|2,0,0]=2 4 B9R0.46 CCCCOCC(O)CO PH010017 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.4 C#CCCCCCCO SYX00205 [1,0,0,0,0,0|0,0,2]=3 6 B8R0.4 C(=C/CCCCCO)\C T264652 [1,0,0,0,0,0|0,0,2]=3 7 B8R0.4 C(=C/CCCO)\CCI T166286 [1,0,0,0,0,0|1,0,2]=4 8 B8R0.4 C(=C\CCCO)\CCI T166227 [1,0,0,0,0,0|1,0,2]=4 9 B8R0.4 CC#CCCCCCO T264709 [1,0,0,0,0,0|0,0,2]=3 10 B8R0.4 CCCCCCCSC S570729 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.4 CCCCCCC[Hg]Cl S572500 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.4 CCCCCSCCO S357928 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.4 CCCCNCCC#N S399493 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.4 CCCCNCCCC S367869 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.4 CCCCNCCCC S503894 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.4 CCCCNCCCC S566152 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.4 CCNCCCCCO PH007898 [1,0,0,0,0,0|1,0,0]=2 18 B8R0.4 COCCCNCCO OTV000453 [1,0,0,0,0,0|2,0,0]=3 19 B8R0.4 CSCCCCCCO S931667 [1,0,0,0,0,0|1,0,0]=2 20 B8R0.4 CSCCCCCSC S375896 [1,0,0,0,0,0|3,0,0]=4 21 B8R0.4 NCCCOCCCN PH000107 [1,0,0,0,0,0|3,0,0]=4 22 B8R0.4 OCCCNCCCO PH010217 [1,0,0,0,0,0|2,0,0]=3 23 B8R0.4 [NH2+](CCCC)CCCC S348880 [1,0,0,0,0,0|2,0,0]=3 24 B8R0.6 CCCCSC(C)CC S570613 [1,0,0,0,0,0|3,0,0]=4 25 B8R0.6 CCOCCC(O)CC S347981 [1,0,0,0,0,0|2,0,0]=3 26 B8R0.7 CC(C)CCCCCN CDS001505 [1,0,0,0,0,0|2,0,0]=3 27 B8R0.7 CC(C)CCNCCO S393983 [1,0,0,0,0,0|3,0,0]=4 28 B8R0.7 CCCCCCC(C)C S430935 [1,0,0,0,0,0|1,0,0]=2 29 B8R0.7 CCCCCCC(C)Cl S564516 [1,0,0,0,0,0|1,0,0]=2 30 B8R0.7 CCCCOCC(=O)O CDS008145 [1,0,0,0,0,0|1,0,2]=4 31 B8R0.7 CCCCSCC(C)C S570567 [1,0,0,0,0,0|2,0,0]=3 32 B8R0.7 CCCNCCC(=O)O OTV000481 [1,0,0,0,0,0|1,0,2]=4 33 B8R0.7 CCSCCCC(=O)O PH008798 [1,0,0,0,0,0|1,0,2]=4 34 B8R0.7 CN(C)CCCCCN CDS002923 [1,0,0,0,0,0|3,0,0]=4 35 B10R0.1 CCCCCC[C@@H](C)N=C=O CDS001056 [0,1,0,0,0,0|1,0,2]=4 36 B10R0.55 CC[C@H](O)CCCCC(=O)C T263230 [0,1,0,0,0,0|1,0,1]=3 37 B10R0.59 BrCC(Br)CCCC(Br)CBr S556408 [0,1,0,0,0,0|3,0,0]=4 38 B10R0.74 CCCCCCCC(=O)CC S544043 [0,1,0,0,0,0|1,0,2]=4 39 B10R0.74 CCCCCCCC(=O)NO CDS000528 [0,1,0,0,0,0|1,0,2]=4 40 B10R0.74 CCCCCCCC(O)CC CDS001495 [0,1,0,0,0,0|1,0,0]=2 41 B10R0.74 CCCCCCOC(=O)CCl OTV000847 [0,1,0,0,0,0|1,0,2]=4 42 B10R0.75 CCCCCCC(=O)C(C)C S350575 [0,1,0,0,0,0|1,0,2]=4 43 B10R0.75 CCCCCCC(C)N(C)C S336998 [0,1,0,0,0,0|3,0,0]=4 44 B10R0.75 CCCCCCC(O)C(C)C S417424 [0,1,0,0,0,0|1,0,0]=2 45 B10R0.75 NCCCCCC(N)C(=O)O PH008399 [0,1,0,0,0,0|2,0,1]=4 46 B10R0.83 CCCCCC(O)C(C)CC S417440 [0,1,0,0,0,0|2,0,0]=3 47 B10R0.108 CCCC(=O)OCC(O)CO CDS003526 [0,1,0,0,0,0|1,0,1]=3 48 B10R1.1 CCCN1CCC(CC1)C S647748 [0,0,0,1,0,0|3,0,0]=4 49 B10R1.1 CCCN1CCC(CC1)N CDS003686 [0,0,0,1,0,0|3,0,0]=4 50 B10R1.1 CCCN1CCC(CC1)O CDS023463 [0,0,0,1,0,0|2,0,0]=3 51 B10R1.1 NCCN1CCC(CC1)O CDS002685 [0,0,0,1,0,0|3,0,0]=4 52 B10R1.7 BrC1CCCCCCC1Br S39072 [0,0,0,1,0,0|2,0,0]=3 53 B10R1.7 BrC1CCCCCCC1Br S509000 [0,0,0,1,0,0|2,0,0]=3 54 B10R1.7 C=C1CCCCCCC1O T181676 [0,0,0,1,0,0|1,0,1]=3 55 B10R1.7 C=C1CCCCCCC1O T232742 [0,0,0,1,0,0|1,0,1]=3 56 B10R1.7 CC1CCCCCCC1=O S53075 [0,0,0,1,0,0|1,0,2]=4 57 B10R1.7 O[C@H]1C=CCCCC[C@@H]1O T287253 [0,0,0,1,0,0|0,0,2]=3 58 B10R1.15 CC(C=O)C1CCCCC1 PH015130 [0,0,0,1,0,0|1,0,2]=4 59 B10R1.15 CC(CN)N1CCCCC1 CDS009813 [0,0,0,1,0,0|3,0,0]=4 60 B10R1.15 CC(CO)C1CCCCC1 PH015232 [0,0,0,1,0,0|1,0,0]=2 61 B10R1.15 CCC(O)C1CCCCC1 PH000035 [0,0,0,1,0,0|1,0,0]=2 62 B10R1.15 CCC(O)C1CCNCC1 CBR00138 [0,0,0,1,0,0|2,0,0]=3 63 B10R1.15 CNC(C)C1CCCCC1 PH013058 [0,0,0,1,0,0|3,0,0]=4 64 B10R1.27 OCC(O)CN1CCCC1 R260398 [0,0,0,1,0,0|1,0,0]=2 65 B10R1.78 CC1CCCCCCCC1 T187364 [0,0,0,1,0,0|2,0,0]=3 66 B10R1.162 CN1CCNCC(C1)CO PH019191 [0,0,0,1,0,0|3,0,0]=4 67 B10R1.172 CCC1CCCC(N1)CC PH013114 [0,0,0,1,0,0|2,0,0]=3 68 B10R1.172 CCN1CCCC(C1)CN PH009880 [0,0,0,1,0,0|3,0,0]=4 69 B10R1.172 OCC1CCCC(C1)CO S460303 [0,0,0,1,0,0|2,0,0]=3 70 B10R1.230 C#C[C@]1(CCCC[C@H]1C)O PH016335 [0,0,0,1,0,0|1,0,1]=3 71 B10R1.230 CC1(CCCCC1=O)CO T183903 [0,0,0,1,0,0|2,0,1]=4 72 B7R0.1 C/C=C\CCCCO S310700 [2,0,0,0,0,0|0,0,2]=4 73 B7R0.1 C=CCCCCCO S303445 [2,0,0,0,0,0|0,0,2]=4 74 B7R0.1 CCCCCC[Hg]Cl S572519 [2,0,0,0,0,0|2,0,0]=4 75 B7R0.1 CCCCSCCC S367192 [2,0,0,0,0,0|1,0,0]=3 76 B7R0.1 CCCCSCCO S527408 [2,0,0,0,0,0|1,0,0]=3 77 B7R0.1 CCCOCCCN CDS000217 [2,0,0,0,0,0|2,0,0]=4 78 B7R0.1 CCSCCSCC S347876 [2,0,0,0,0,0|2,0,0]=4 79 B7R0.1 CNCCCCCO PH007838 [2,0,0,0,0,0|1,0,0]=3 80 B7R0.1 CNCCNCCO S522449 [2,0,0,0,0,0|2,0,0]=4 81 B7R0.1 COCCCCCO PH003271 [2,0,0,0,0,0|1,0,0]=3 82 B7R0.1 COCCSCCO PH010752 [2,0,0,0,0,0|2,0,0]=4 83 B7R0.1 NCCCNCCO S446831 [2,0,0,0,0,0|2,0,0]=4 84 B7R0.1 NCCNCCCO CDS000635 [2,0,0,0,0,0|2,0,0]=4 85 B7R0.1 OCCCNCCO S408409 [2,0,0,0,0,0|2,0,0]=4 86 B7R0.3 CCCCC(N)CC CDS021471 [2,0,0,0,0,0|2,0,0]=4 87 B7R0.3 CCCN[C@@H](C)CO PH014617 [2,0,0,0,0,0|2,0,0]=4 88 B7R0.3 CCCN[C@H](C)CO PH014618 [2,0,0,0,0,0|2,0,0]=4 89 B7R0.3 CCOCC(O)CCl S379220 [2,0,0,0,0,0|2,0,0]=4 90 B7R0.3 CCSCC(O)CO R161446 [2,0,0,0,0,0|1,0,0]=3 91 B7R0.3 CCSCC(O)CO S327050 [2,0,0,0,0,0|1,0,0]=3 92 B7R0.4 CC(O)CNCCN S438324 [2,0,0,0,0,0|2,0,0]=4 93 B7R0.4 CC(O)CNCCO S361372 [2,0,0,0,0,0|2,0,0]=4 94 B7R0.4 CCCCCC(C)Cl CDS000285 [2,0,0,0,0,0|1,0,0]=3 95 B7R0.4 CCCCSC(C)C S570605 [2,0,0,0,0,0|2,0,0]=4 96 B7R0.4 CCCNC[C@@H](C)O PH016360 [2,0,0,0,0,0|1,0,0]=3 97 B7R0.4 CCCSCC(C)C S547131 [2,0,0,0,0,0|2,0,0]=4 98 B7R0.4 COCCCC(C)O S671169 [2,0,0,0,0,0|1,0,0]=3 99 B9R0.2 CCCCCCCC(C)Br S438758 [1,1,0,0,0,0|1,0,0]=3 100 B9R0.2 COCCCCCC(=O)O CBR00492 [1,1,0,0,0,0|1,0,1]=4 101 B9R0.5 C=CCC(O)CCCCC S417475 [1,1,0,0,0,0|1,0,1]=4 102 B9R0.5 CCCCC/C(=C/CO)/I S326747 [1,1,0,0,0,0|0,0,2]=4 103 B9R0.5 CCCCCC(=O)CCC S411825 [1,1,0,0,0,0|1,0,1]=4 104 B9R0.5 CCCCCC(C)CCC S431648 [1,1,0,0,0,0|1,0,0]=3 105 B9R0.5 CCCCCC(C)CCN PH007332 [1,1,0,0,0,0|1,0,0]=3 106 B9R0.45 C(=C/CCCCO)\CCI T166057 [1,1,0,0,0,0|0,0,2]=4 107 B9R0.45 C(=C\CCCCO)\CCI T166065 [1,1,0,0,0,0|0,0,2]=4 108 B9R0.45 CCC#CCCOCCO S722189 [1,1,0,0,0,0|0,0,2]=4 109 B9R0.45 CCCCCCC#CCBr PH009441 [1,1,0,0,0,0|1,0,1]=4 110 B9R0.45 CCCCCCCCNC CDS003222 [1,1,0,0,0,0|1,0,0]=3 111 B9R0.45 CCCCCCCCON PH014161 [1,1,0,0,0,0|0,0,0]=2 112 B9R0.45 CCCCCCCC[Hg]Cl S572551 [1,1,0,0,0,0|1,0,0]=3 113 B9R0.45 CCCCCCCN=C=S PH011071 [1,1,0,0,0,0|0,1,1]=4 114 B9R0.45 CCCCCCOCC#N S240370 [1,1,0,0,0,0|1,0,1]=4 115 B9R0.45 CCCCCCSCCO S362344 [1,1,0,0,0,0|0,0,0]=2 116 B9R0.45 CCCCCNCCC#N PH011475 [1,1,0,0,0,0|1,0,1]=4 117 B9R0.45 CCCCCNCCCC OTV000733 [1,1,0,0,0,0|1,0,0]=3 118 B9R0.45 CCCCNCCCCO PH011467 [1,1,0,0,0,0|0,0,0]=2 119 B9R0.45 CCCSCCSCCC S347841 [1,1,0,0,0,0|2,0,0]=4 120 B9R0.45 CCSCCCCSCC S347833 [1,1,0,0,0,0|2,0,0]=4 121 B9R0.45 CSCCCCCCSC S347825 [1,1,0,0,0,0|1,1,0]=4 122 B9R0.1 CCC(C)CCCC(C)C S765406 [1,1,0,0,0,0|2,0,0]=4 123 B9R0.1 [C@@H](O)(CO)CCC=C(C)C T232688 [1,1,0,0,0,0|0,0,2]=4 124 B9R0.8 CCCCC(O)C(C)CC S417467 [1,1,0,0,0,0|2,0,0]=4 125 B9R0.47 CCCCCC(O)C(C)C S431656 [1,1,0,0,0,0|1,0,0]=3 126 B9R0.50 NCCCCC(CO)CO CDS005071 [1,1,0,0,0,0|1,0,0]=3 127 B9R0.4 CCCCC(N)CC(=O)O CBR00513 [1,1,0,0,0,0|0,0,2]=4 128 B9R0.48 CCC[C@H](C)CCC(=O)O PH008003 [1,1,0,0,0,0|0,0,2]=4 129 B11R0.2 CCCCCCC(C)CC(=O)O CDS011550 [0,2,0,0,0,0|1,0,0]=3 130 B11R0.81 CCCCCCC(C)NCCO CDS003690 [0,2,0,0,0,0|1,0,0]=3 131 B11R0.76 CCCCCCC(CC)C(=O)O PH002681 [0,2,0,0,0,0|1,0,0]=3 132 B11R0.320 COC(C)(C)CCCC(C)CO R396249 [0,2,0,0,0,0|2,0,0]=4 133 B11R0.125 CCCCCCC(C)(C)C(=O)O PH000145 [0,2,0,0,0,0|1,0,1]=4 134 B11R0.40 CCCCCCCCC(O)C#N PH007041 [0,2,0,0,0,0|1,0,1]=4 135 B11R0.40 CCCCCCCCC([NH3+])CO L498629 [0,2,0,0,0,0|1,0,0]=3 136 B11R0.42 CCCCCCCC(Br)C(=O)O PH002927 [0,2,0,0,0,0|1,0,1]=4 137 B11R0.42 CCCCCCCC(C)C(=O)O S874582 [0,2,0,0,0,0|1,0,1]=4 138 B9R1.5 O[C@@H]1CCCCC[C@H]1O S435201 [1,0,0,1,0,0|1,0,0]=3 139 B9R1.8 BrCCC1CCCCN1 CBR00714 [1,0,0,1,0,0|2,0,0]=4 140 B9R1.8 CCCC1COCCN1 CBR00294 [1,0,0,1,0,0|2,0,0]=4 141 B9R1.8 CCCC1NCCCS1 T149691 [1,0,0,1,0,0|1,1,0]=4 142 B9R1.8 CCOC1CCCCO1 S359033 [1,0,0,1,0,0|1,0,0]=3 143 B9R1.8 CNCC1CCCCO1 CDS005693 [1,0,0,1,0,0|1,0,0]=3 144 B9R1.8 COCC1CCCCN1 CDS005671 [1,0,0,1,0,0|2,0,0]=4 145 B9R1.8 ClCCN1CCCCC1 PH010519 [1,0,0,1,0,0|2,0,0]=4 146 B9R1.8 N1CCC(CC1)CCC S409944 [1,0,0,1,0,0|2,0,0]=4 147 B9R1.8 NCCC1CCCCC1 CDS013643 [1,0,0,1,0,0|1,0,0]=3 148 B9R1.8 NCCC1CCCOC1 CDS009278 [1,0,0,1,0,0|2,0,0]=4 149 B9R1.8 NCCC1CCOCC1 CDS006180 [1,0,0,1,0,0|2,0,0]=4 150 B9R1.8 OCCC1CCCCO1 T177393 [1,0,0,1,0,0|1,0,0]=3 151 B9R1.8 OCCC1CNCCO1 CDS009186 [1,0,0,1,0,0|2,0,0]=4 152 B9R1.12 CCCCC1OCCO1 T330108 [1,0,0,1,0,0|1,0,0]=3 153 B9R1.12 CCCNC1CCCC1 CBR00869 [1,0,0,1,0,0|2,0,0]=4 154 B9R1.12 NCCCC1CCCC1 CBR01730 [1,0,0,1,0,0|1,0,0]=3 155 B9R1.12 NCCCC1CCOC1 T325317 [1,0,0,1,0,0|2,0,0]=4 156 B9R1.12 NCCCN1CCCC1 CDS003189 [1,0,0,1,0,0|2,0,0]=4 157 B9R1.12 O=CCCC1CCCC1 CDS023037 [1,0,0,1,0,0|0,0,2]=4 158 B9R1.12 OCCCC1OCCO1 T290653 [1,0,0,1,0,0|2,0,0]=4 159 B9R1.14 CCN1CCCC1CCl CBR01539 [1,0,0,1,0,0|2,0,0]=4 160 B9R1.14 CCN1CCC[C@H]1CO CBR02172 [1,0,0,1,0,0|1,0,0]=3 161 B9R1.15 CC\1CCCC/C1=N\O PH001354 [1,0,0,1,0,0|1,0,1]=4 162 B9R1.15 CN1CCCCC1CBr CBR01705 [1,0,0,1,0,0|2,0,0]=4 163 B9R1.15 CN1CCCCC1CCl CBR00922 [1,0,0,1,0,0|2,0,0]=4 164 B9R1.15 CN[C@@H]1CCCC[C@H]1O BBO000382 [1,0,0,1,0,0|1,0,0]=3 165 B9R1.15 N#C[C@@H]1CCCC[C@H]1O PH017201 [1,0,0,1,0,0|1,0,1]=4 166 B9R1.15 NC[C@@H]1CCCC[C@@H]1N BBO000355 [1,0,0,1,0,0|2,0,0]=4 167 B9R1.15 NC[C@@H]1CCCC[C@H]1N BBO000357 [1,0,0,1,0,0|2,0,0]=4 168 B9R1.15 NC[C@H]1CCCC[C@H]1O BBO000725 [1,0,0,1,0,0|1,0,0]=3 169 B9R1.15 NC[C@H]1CCCC[C@H]1O CDS006535 [1,0,0,1,0,0|1,0,0]=3 170 B9R1.15 OC[C@H]1CCNC[C@H]1O CBR01689 [1,0,0,1,0,0|2,0,0]=4 171 B9R1.33 CC1CCCN1CCO PH015834 [1,0,0,1,0,0|1,0,0]=3 172 B9R1.50 BrC1CCCCCCC1 PH011377 [1,0,0,1,0,0|1,0,0]=3 173 B9R1.50 OC1CCCCCOC1 T168815 [1,0,0,1,0,0|1,0,0]=3 174 B9R1.89 CCC1CCCNCC1 CBR01788 [1,0,0,1,0,0|2,0,0]=4 175 B9R1.89 CNC1CCCCCC1 CBR00882 [1,0,0,1,0,0|2,0,0]=4 176 B9R1.89 O=CC1CCCCCC1 PH015086 [1,0,0,1,0,0|0,0,2]=4 177 B9R1.89 OCC1CNCCCO1 CDS020100 [1,0,0,1,0,0|2,0,0]=4 178 B9R1.89 OCC1CNCCOC1 PH019466 [1,0,0,1,0,0|2,0,0]=4 179 B9R1.1 CCC1CCC(CC1)N CDS002619 [1,0,0,1,0,0|2,0,0]=4 180 B9R1.1 CCC1CCC(CC1)O S504939 [1,0,0,1,0,0|1,0,0]=3 181 B9R1.1 CCN1CCC(CC1)O CDS021469 [1,0,0,1,0,0|2,0,0]=4 182 B9R1.1 CC[C@H]1CC[C@@H](CC1)O CDS000137 [1,0,0,1,0,0|1,0,0]=3 183 B9R1.1 OC[C@H]1CC[C@@H](CC1)O T184683 [1,0,0,1,0,0|2,0,0]=4 184 B9R1.1 OC[C@H]1CC[C@H](CC1)O T184624 [1,0,0,1,0,0|2,0,0]=4 185 B9R1.2 CC1CCCC(C1)CBr CDS021385 [1,0,0,1,0,0|2,0,0]=4 186 B9R1.3 CC1CCCC(C1C)N PH010573 [1,0,0,1,0,0|2,0,0]=4 187 B9R1.3 CC1CCCC(C1N)C PH016106 [1,0,0,1,0,0|2,0,0]=4 188 B9R1.3 CC1OCCC(C1O)O PH008649 [1,0,0,1,0,0|1,0,0]=3 189 B9R1.21 CCN1CCC(C1)CO CBR00419 [1,0,0,1,0,0|2,0,0]=4 190 B9R1.21 OCC1CCC(C1)CO T237035 [1,0,0,1,0,0|2,0,0]=4 191 B9R1.118 CC1(CCNCC1)CO CBR01674 [1,0,0,1,0,0|2,0,0]=4 192 B9R1.118 CCC1(CCCCC1)O S408468 [1,0,0,1,0,0|1,0,0]=3 193 B9R1.118 CCC1(CCCNC1)O CBR00014 [1,0,0,1,0,0|2,0,0]=4 194 B9R1.118 NC1(CCOCC1)CO PHB00225 [1,0,0,1,0,0|2,0,0]=4 195 B9R1.202 C[C@H]1CNC[C@]1(C)CO PH018942 [1,0,0,1,0,0|2,0,0]=4 196 B9R1.6 CC(=O)C1CCCCC1 PH000084 [1,0,0,1,0,0|0,0,2]=4 197 B9R1.6 CC(C)C1CCCCN1 PH003734 [1,0,0,1,0,0|2,0,0]=4 198 B9R1.6 CC(C)C1CCNCC1 CDS000108 [1,0,0,1,0,0|2,0,0]=4 199 B9R1.6 CC(O)C1=CCCCC1 PH015453 [1,0,0,1,0,0|0,0,2]=4 200 B9R1.6 CC(O)C1C=CCCC1 T181412 [1,0,0,1,0,0|0,0,2]=4 201 B9R1.13 CC(=O)CC1CCCC1 L162353 [1,0,0,1,0,0|0,0,2]=4 202 B9R1.13 CC(C)CC1CCCN1 CDS005695 [1,0,0,1,0,0|2,0,0]=4 203 B9R1.13 CC(N)CN1CCCC1 CBR01743 [1,0,0,1,0,0|2,0,0]=4 204 B9R1.13 CC(O)CN1CCCC1 S370576 [1,0,0,1,0,0|1,0,0]=3 205 B9R1.24 C[C@@]1(CCC[C@H]1CO)N BBO000380 [1,0,0,1,0,0|2,0,0]=4 206 B9R1.40 CC1(CCCCC1O)O S352799 [1,0,0,1,0,0|1,0,0]=3 207 B9R1.40 CC1CCCCC1(F)F MNO000101 [1,0,0,1,0,0|2,0,0]=4 208 B9R1.40 OC1(CCOCC1F)O PHB00290 [1,0,0,1,0,0|2,0,0]=4 209 B9R1.148 CC1(CCCCCC1)O S411949 [1,0,0,1,0,0|0,0,0]=2 210 B11R1.4 CCCCOCC1CCCO1 S866369 [0,1,0,1,0,0|2,0,0]=4 211 B11R1.16 CCCC(O)C1CCCCC1 S447005 [0,1,0,1,0,0|1,0,0]=3 212 B11R1.16 NC(CCO)C1CCCCC1 BBO000388 [0,1,0,1,0,0|1,0,0]=3 213 B11R1.16 NC(CCO)C1CCCCC1 BBO000750 [0,1,0,1,0,0|1,0,0]=3 214 B11R1.26 OCC1CCCCCCC1O T232882 [0,1,0,1,0,0|0,0,0]=2 215 B11R1.101 OC1CCCC=CCCCC1 S931985 [0,1,0,1,0,0|1,0,1]=4 216 B11R1.117 NCCC1CCCCCCC1 CBR01321 [0,1,0,1,0,0|2,0,0]=4 217 B11R1.189 NCCN1CCCC(C1)CO CBR01408 [0,1,0,1,0,0|2,0,0]=4 218 B11R1.774 C=CC[C@]1(CCCC[C@@H]1O)O T263753 [0,1,0,1,0,0|2,0,0]=4 219 B11R1.774 [18OH][C@@]1(CCCC[C@@H]1C)CC=C T244465 [0,1,0,1,0,0|1,0,0]=3 220 B11R1.40 CC(CCl)CN1CCCCC1 PH014097 [0,1,0,1,0,0|2,0,0]=4 221 B11R1.40 CC(CN)CN1CCCCC1 PH010487 [0,1,0,1,0,0|2,0,0]=4 222 B11R1.40 CCC(N)CN1CCCCC1 CDS001860 [0,1,0,1,0,0|2,0,0]=4 223 B11R1.40 OCC(O)CN1CCNCC1 PH015129 [0,1,0,1,0,0|1,0,0]=3 224 B11R1.214 COCCN1CCC(C1)CO CBR00321 [0,1,0,1,0,0|2,0,0]=4 225 B11R1.12 NCC(CO)C1CCCCC1 PH015132 [0,1,0,1,0,0|1,0,0]=3 226 B11R1.83 CCCC1CCC(=NO)CC1 S799726 [0,1,0,1,0,0|1,0,1]=4 227 B11R1.404 CC1CC=CCC1(CO)CO S375209 [0,1,0,1,0,0|0,0,2]=4 228 B11R1.266 CC(C)N1CCCC(C1)CO CBR01305 [0,1,0,1,0,0|2,0,0]=4 229 B11R1.865 OCC(O)[C@H]1OC[C@@H]([C@@H]1O)O PH009516 [0,1,0,1,0,0|2,0,0]=4 230 B11R1.865 [C@@H]1(OC[C@@H]([C@H]1O)O)[C@H](O)CO PH006861 [0,1,0,1,0,0|2,0,0]=4 231 B11R1.136 CC(C)(CO)CN1CCCC1 PH014760 [0,1,0,1,0,0|2,0,0]=4 232 B11R1.410 C=CC1(CCCCCCC1)O R239682 [0,1,0,1,0,0|1,0,1]=4 233 B11R1.543 CC1(CCCCCCCC1)O T211540 [0,1,0,1,0,0|1,0,0]=3 234 B11R1.1 CCCCN1CCC(CC1)C S647756 [0,1,0,1,0,0|2,0,0]=4 235 B11R1.1 NCCCN1CCC(CC1)O CBR01360 [0,1,0,1,0,0|2,0,0]=4 236 B11R1.54 CCC1CCCCC1(O)CC S346012 [0,1,0,1,0,0|1,0,0]=3 237 B11R1.36 CC(O)C(C)C1CCCCC1 R228133 [0,1,0,1,0,0|1,0,0]=3 238 B11R1.36 CC(O)C(C)C1CCCCC1 S325317 [0,1,0,1,0,0|1,0,0]=3 239 B11R1.737 O=C(O)C1(CCCCCC1)O S459178 [0,1,0,1,0,0|0,0,1]=3 240 B11R1.278 OCC1OCC(C(C1O)O)O S490199 [0,1,0,1,0,0|2,0,0]=4 241 B11R1.878 O=C(CO)C1(CCCCC1)O T273163 [0,1,0,1,0,0|0,0,2]=4 242 B11R2.34 OC1CCN(CC1)C2CC2 CDS024119 [0,0,0,2,0,0|2,0,0]=4 243 B11R2.36 OC1CCC2CCCC2C1 S350508 [0,0,0,2,0,0|1,0,0]=3 244 B11R2.357 IC1CCC2CCCC1O2 T173398 [0,0,0,2,0,0|1,0,0]=3 245 B11R2.106 [C@@H]12CCC[C@H]([C@@H]1CCC2)O T167320 [0,0,0,2,0,0|1,0,0]=3 246 B11R2.367 CC1C(C2CCN1CC2)O S461245 [0,0,0,2,0,0|2,0,0]=4 247 B11R2.719 CC1C2C1([C@H](CCC2)C)C T183849 [0,0,0,2,0,0|2,0,0]=4 248 B11R2.474 O=C1CCCC2CCC1O2 T173460 [0,0,0,2,0,0|0,0,2]=4 249 B11R2.513 [C@H]12CCCCCC([C@H]1C2)C T179787 [0,0,0,2,0,0|2,0,0]=4 250 B11R2.40 NC1(CC1)C2CCCCC2 CBR00895 [0,0,0,2,0,0|2,0,0]=4 251 B11R2.40 OC1(CC1)C2CCCCC2 CDS024147 [0,0,0,2,0,0|1,0,0]=3 252 B11R2.10 OC1CC2CCCCN2C1 CDS024575 [0,0,0,2,0,0|1,0,0]=3 253 B11R2.228 C=CC1(CC2CCC1C2)O T241725 [0,0,0,2,0,0|1,0,1]=4 254 B11R2.402 [C@@H]12CCCC[C@@]1(COC2)C T232947 [0,0,0,2,0,0|1,0,0]=3 255 B11R2.135 [C@H]12CCCCC(C[C@H]1C2)O T179930 [0,0,0,2,0,0|1,0,0]=3 256 B11R2.111 [C@@H]12CCC(CCC[C@@H]1C2)C T179817 [0,0,0,2,0,0|2,0,0]=4 257 B11R2.111 [C@H]1(C=CC2CC2CCC1)O T200212 [0,0,0,2,0,0|1,0,1]=4 258 B11R2.21 OCC1CCN(C1)C2CC2 CBR01614 [0,0,0,2,0,0|2,0,0]=4