0 B9R0.45 C(=O)NCCCCNC=O S11631 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.45 CCCCCCC#CCBr PH009441 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.45 CCCCCCCCNC CDS003222 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.45 CCCCCCCCON PH014161 [0,0,0,0,0,0|3,0,0]=3 4 B9R0.45 CCCCCCCC[Hg]Cl S572551 [0,0,0,0,0,0|3,0,0]=3 5 B9R0.45 CCCCCCCN=C=S PH011071 [0,0,0,0,0,0|0,1,2]=3 6 B9R0.45 CCCCCCOCC#N S240370 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.45 CCCCCCSCCO S362344 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.45 CCCCCNCCC#N PH011475 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.45 CCCCCNCCCC OTV000733 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.45 CCCCNCCCCO PH011467 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.45 CCSCCCCSCC S347833 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.45 CSCCCCCCSC S347825 [0,0,0,0,0,0|4,0,0]=4 13 B9R0.45 N#CCCCCCCC=O PH008272 [0,0,0,0,0,0|2,0,1]=3 14 B8R0.4 C#CCCCCCCO SYX00205 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.4 C(=C/CCCCCO)\C T264652 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.4 C(=O)NCCOCCO S405213 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.4 CCCCCCCSC S570729 [1,0,0,0,0,0|1,0,1]=3 18 B8R0.4 CCCCCCC[Hg]Cl S572500 [1,0,0,0,0,0|2,0,0]=3 19 B8R0.4 CCCCCSCCO S357928 [1,0,0,0,0,0|1,0,2]=4 20 B8R0.4 CCCCNCCC#N S399493 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.4 CCCCNCCCC S367869 [1,0,0,0,0,0|2,0,1]=4 22 B8R0.4 CCCCNCCCC S503894 [1,0,0,0,0,0|2,0,1]=4 23 B8R0.4 CCCCNCCCC S566152 [1,0,0,0,0,0|2,0,1]=4 24 B8R0.4 CCNCCCCCO PH007898 [1,0,0,0,0,0|1,0,2]=4 25 B8R0.4 CSCCCCCCO S931667 [1,0,0,0,0,0|1,0,2]=4 26 B8R0.4 CSCCCCCSC S375896 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.4 [NH2+](CCCC)CCCC S348880 [1,0,0,0,0,0|2,0,1]=4 28 B10R0.1 CCCCCC[C@@H](C)N=C=O CDS001056 [0,1,0,0,0,0|0,0,2]=3 29 B10R0.4 C=COCCCCCC(C)C S399728 [0,1,0,0,0,0|2,0,0]=3 30 B10R0.4 CC(=CCCCCCCBr)C S793051 [0,1,0,0,0,0|3,0,0]=4 31 B10R0.4 CC(C)CCCCCCCO PH008704 [0,1,0,0,0,0|1,0,2]=4 32 B10R0.4 CCCCC/C=C/CC(=O)O CDS000243 [0,1,0,0,0,0|1,0,2]=4 33 B10R0.4 CCCCCCC#CC(=O)O S354023 [0,1,0,0,0,0|1,0,1]=3 34 B10R0.4 CCCCCCCCC(=N)N PH012190 [0,1,0,0,0,0|2,0,0]=3 35 B10R0.4 CCCCCCCCC(=O)N S595268 [0,1,0,0,0,0|1,0,0]=2 36 B10R0.4 CCCCCCCCC(C)N T151068 [0,1,0,0,0,0|2,0,1]=4 37 B10R0.4 CCCCCCCC[N+](=O)[O-] S917680 [0,1,0,0,0,0|2,0,0]=3 38 B10R0.4 CCCCCCCNC(=O)C R704377 [0,1,0,0,0,0|0,0,0]=1 39 B10R0.4 CCCCCCCNC(=O)N S516643 [0,1,0,0,0,0|0,0,0]=1 40 B10R0.4 COCCOCCOC(=O)C S705659 [0,1,0,0,0,0|3,0,0]=4 41 B10R0.71 C#CCCCCCCCCC CDS001229 [0,1,0,0,0,0|2,0,1]=4 42 B10R0.71 CCCCCCCCCCF S570354 [0,1,0,0,0,0|2,0,1]=4 43 B10R0.71 CCCCCCCCN=C=S CDS013725 [0,1,0,0,0,0|0,1,2]=4 44 B10R0.71 CCCCCCCCSCC S570656 [0,1,0,0,0,0|2,0,1]=4 45 B10R0.71 CCCCCCCSCCO S362220 [0,1,0,0,0,0|1,0,2]=4 46 B10R0.71 CCCCCCNCCCC OTV000454 [0,1,0,0,0,0|2,0,1]=4 47 B10R0.71 CCCCCCOCCCN S392022 [0,1,0,0,0,0|2,0,1]=4 48 B10R0.71 CCCCCNCCCCC S503770 [0,1,0,0,0,0|2,0,1]=4 49 B10R0.71 COCCCCCCCCN PH012543 [0,1,0,0,0,0|2,0,1]=4 50 B10R0.71 ICCCCCCCCCI S764507 [0,1,0,0,0,0|2,0,1]=4 51 B10R0.71 [NH2+](CCCCl)CCCCCC R738158 [0,1,0,0,0,0|2,0,1]=4 52 B10R0.74 CCCCCCCC(=O)CC S544043 [0,1,0,0,0,0|2,0,1]=4 53 B10R0.74 CCCCCCCC(=O)NO CDS000528 [0,1,0,0,0,0|2,0,1]=4 54 B10R0.74 CCCCCCCC(=O)N[O-] S756199 [0,1,0,0,0,0|2,0,1]=4 55 B10R0.74 CCCCCCCC(O)CC CDS001495 [0,1,0,0,0,0|2,0,1]=4 56 B10R1.4 CCCC1CCCCC1O S365769 [0,0,0,1,0,0|1,0,2]=4 57 B10R1.4 N#CCC1CCCCC1=O PH008486 [0,0,0,1,0,0|2,0,1]=4 58 B10R1.4 NCCN1CCCCC1=O CBR02341 [0,0,0,1,0,0|3,0,0]=4 59 B10R1.4 NCCN1CCCOC1=O CBR00826 [0,0,0,1,0,0|3,0,0]=4 60 B10R1.4 O=C1NCCNC1CCO CBR00279 [0,0,0,1,0,0|2,0,0]=3 61 B10R1.7 C=C1CCCCCCC1O T181676 [0,0,0,1,0,0|3,0,0]=4 62 B10R1.7 C=C1CCCCCCC1O T232742 [0,0,0,1,0,0|3,0,0]=4 63 B10R1.7 CC1CCCCCCC1=O S53075 [0,0,0,1,0,0|1,0,0]=2 64 B10R1.17 BrCCCC1CCCCC1 S345016 [0,0,0,1,0,0|2,0,1]=4 65 B10R1.17 CCNCC1CCCCO1 CBR00835 [0,0,0,1,0,0|2,0,1]=4 66 B10R1.17 ClCCCC1CCCCC1 R426857 [0,0,0,1,0,0|2,0,1]=4 67 B10R1.17 N#CCCC1CCCCC1 PH010247 [0,0,0,1,0,0|2,0,1]=4 68 B10R1.17 O=CCCC1CCCCC1 CDS019184 [0,0,0,1,0,0|1,0,0]=2 69 B10R1.21 CCNCCN1CCCC1 CBR00390 [0,0,0,1,0,0|2,0,1]=4 70 B10R1.21 S=C=NCCC1CCCC1 PH014423 [0,0,0,1,0,0|0,1,2]=4 71 B10R1.29 CCCCN1CCCC1=O S434221 [0,0,0,1,0,0|2,0,0]=3 72 B10R1.29 CCCCN1CCSC1=S PH006995 [0,0,0,1,0,0|2,1,0]=4 73 B10R1.78 CC1CCCCCCCC1 T187364 [0,0,0,1,0,0|2,0,1]=4 74 B10R1.78 O=C1C=CCCCCCC1 L169854 [0,0,0,1,0,0|1,0,1]=3 75 B10R1.85 CCCN1CCCNCC1 PH014388 [0,0,0,1,0,0|2,0,1]=4 76 B10R1.85 CCNC1CCCCCC1 CBR00395 [0,0,0,1,0,0|1,0,1]=3 77 B10R1.85 NCCC1CCCCCC1 CBR01497 [0,0,0,1,0,0|2,0,1]=4 78 B10R1.185 C1=CCCCCCCCC1 S462977 [0,0,0,1,0,0|2,0,0]=3 79 B7R0.1 C(=O)NCCCOC S363286 [2,0,0,0,0,0|1,0,0]=3 80 B7R0.1 C=CCCCCCO S303445 [2,0,0,0,0,0|1,0,1]=4 81 B7R0.1 CCCCCC[Hg]Cl S572519 [2,0,0,0,0,0|2,0,0]=4 82 B7R0.1 CCCCCON=O CDS000385 [2,0,0,0,0,0|1,0,1]=4 83 B7R0.1 CCCCSCCC S367192 [2,0,0,0,0,0|1,0,1]=4 84 B7R0.1 CCCCSCCO S527408 [2,0,0,0,0,0|1,0,1]=4 85 B7R0.1 CCCOCCCN CDS000217 [2,0,0,0,0,0|1,0,0]=3 86 B7R0.1 CCOCCCNN PH019429 [2,0,0,0,0,0|2,0,0]=4 87 B7R0.1 CNCCCCCO PH007838 [2,0,0,0,0,0|1,0,1]=4 88 B7R0.1 COCCCCCO PH003271 [2,0,0,0,0,0|1,0,1]=4 89 B7R0.1 COCCOCCN CDS022898 [2,0,0,0,0,0|2,0,0]=4 90 B7R0.1 N#CCCCCCN PH014777 [2,0,0,0,0,0|1,0,1]=4 91 B7R0.1 NCCCNCCO S446831 [2,0,0,0,0,0|2,0,0]=4 92 B7R0.1 NCCNCCCO CDS000635 [2,0,0,0,0,0|2,0,0]=4 93 B9R0.2 CCCC/C=C/CC(=O)O CDS000466 [1,1,0,0,0,0|0,0,2]=4 94 B9R0.2 CCCCCCCC(C)Br S438758 [1,1,0,0,0,0|1,0,1]=4 95 B9R0.2 CCCNOCCC(=O)C S581321 [1,1,0,0,0,0|2,0,0]=4 96 B9R0.2 COCCCCCC(=O)O CBR00492 [1,1,0,0,0,0|1,0,0]=3 97 B9R0.5 C=CCC(O)CCCCC S417475 [1,1,0,0,0,0|1,0,0]=3 98 B9R0.5 CCCCCC(C)CCC S431648 [1,1,0,0,0,0|1,0,1]=4 99 B9R0.5 CCCCCC(C)CCN PH007332 [1,1,0,0,0,0|1,0,1]=4 100 B9R0.46 CCCCCC[C@@H](C)CBr PH007998 [1,1,0,0,0,0|1,0,1]=4 101 B11R0.2 CCCCCCC(C)CC(=O)O CDS011550 [0,2,0,0,0,0|1,0,0]=3 102 B11R0.81 CCCCCCC(C)NCCO CDS003690 [0,2,0,0,0,0|0,0,2]=4 103 B11R0.30 CC(=O)NCCCCCC(=O)O PH010928 [0,2,0,0,0,0|1,0,1]=4 104 B11R0.40 C=CS(=O)CCCCCCCC R395390 [0,2,0,0,0,0|2,0,0]=4 105 B11R0.42 CCCCCC/C=C(/C)\C(=O)O S489905 [0,2,0,0,0,0|1,0,1]=4 106 B11R0.42 CCCCCCCC(Br)C(=O)O PH002927 [0,2,0,0,0,0|1,0,0]=3 107 B11R0.42 CCCCCCCC(C)C(=O)O S874582 [0,2,0,0,0,0|1,0,0]=3 108 B11R0.46 CCCCCC(=O)CCC(=O)O T330051 [0,2,0,0,0,0|1,0,1]=4 109 B11R0.148 C(=O)CCCCCCOC(=O)C T168823 [0,2,0,0,0,0|1,0,1]=4 110 B11R0.148 CCCCCC#CCCC(=O)C S884901 [0,2,0,0,0,0|1,0,1]=4 111 B11R0.148 CCCCCC/C=C/CC(=O)O CDS000299 [0,2,0,0,0,0|1,0,1]=4 112 B11R0.148 CCCCCCCCC=C(C)C T293466 [0,2,0,0,0,0|2,0,0]=4 113 B11R0.148 CCCCCCCCCC(=N)N PH012191 [0,2,0,0,0,0|2,0,0]=4 114 B11R0.148 CCCCCCCCCC(=O)N S549878 [0,2,0,0,0,0|1,0,0]=3 115 B11R0.148 CCCCCCCCSC(=N)N S385239 [0,2,0,0,0,0|2,0,0]=4 116 B11R0.148 CCCCOCCOCC(=O)O CDS000206 [0,2,0,0,0,0|2,0,0]=4 117 B11R0.148 O=C(O)CCCCCCCCBr T333328 [0,2,0,0,0,0|1,0,0]=3 118 B11R0.148 O=C(O)CCCCCCCCO CDS018651 [0,2,0,0,0,0|1,0,0]=3 119 B11R0.159 CCCCCCCCS(=O)(=O)N PH010261 [0,2,0,0,0,0|2,0,0]=4 120 B11R0.159 CCCCCCCNS(=O)(=O)C T170321 [0,2,0,0,0,0|1,0,0]=3 121 B11R0.3 CC/C=C/CCCCCCCC PH003558 [0,2,0,0,0,0|2,0,0]=4 122 B11R0.3 CCCCCCCCNCCN PH000414 [0,2,0,0,0,0|1,0,1]=4 123 B11R0.3 CCCCCCCCNCCN S235881 [0,2,0,0,0,0|1,0,1]=4 124 B11R0.3 CCCCCCCCNCCS PH012947 [0,2,0,0,0,0|0,1,1]=4 125 B9R1.5 N[C@@H]1CCCCNC1=O CDS006947 [1,0,0,1,0,0|1,0,0]=3 126 B9R1.5 O=C1CCCCCC1=O PH003588 [1,0,0,1,0,0|1,0,1]=4 127 B9R1.8 CNCC1CCCCO1 CDS005693 [1,0,0,1,0,0|1,0,1]=4 128 B9R1.8 CNCC1CCOCC1 CDS009689 [1,0,0,1,0,0|1,0,1]=4 129 B9R1.8 N1CCC(CC1)CCC S409944 [1,0,0,1,0,0|1,0,1]=4 130 B9R1.8 NCCC1CCCCC1 CDS013643 [1,0,0,1,0,0|1,0,1]=4 131 B9R1.12 C=CCCN1CCCC1 S342858 [1,0,0,1,0,0|2,0,0]=4 132 B9R1.12 NCCCC1CCCC1 CBR01730 [1,0,0,1,0,0|1,0,1]=4 133 B9R1.12 NNCCN1CCCC1 PH017235 [1,0,0,1,0,0|2,0,0]=4 134 B9R1.12 O=CCCC1CCCC1 CDS023037 [1,0,0,1,0,0|0,0,0]=2 135 B9R1.15 C(=O)C1CC=CCC1C S430153 [1,0,0,1,0,0|0,0,2]=4 136 B9R1.15 CC[C@@H]1CNCCN1C PH018883 [1,0,0,1,0,0|1,0,1]=4 137 B9R1.15 CN1CCCCC1CBr CBR01705 [1,0,0,1,0,0|1,0,1]=4 138 B9R1.15 CN1CCCCC1CCl CBR00922 [1,0,0,1,0,0|1,0,1]=4 139 B9R1.15 CN[C@@H]1CCCC[C@H]1O BBO000382 [1,0,0,1,0,0|1,0,1]=4 140 B9R1.33 CCCN1CCNC1=S S762059 [1,0,0,1,0,0|1,1,0]=4 141 B9R1.33 O=C1CCCN1CCBr CDS019689 [1,0,0,1,0,0|2,0,0]=4 142 B9R1.50 BrC1CCCCCCC1 PH011377 [1,0,0,1,0,0|1,0,1]=4 143 B9R1.89 C(=O)N1CCCCCC1 S430455 [1,0,0,1,0,0|0,0,0]=2 144 B9R1.89 CCC1CCCNCC1 CBR01788 [1,0,0,1,0,0|1,0,1]=4 145 B9R1.89 CNC1CCCCCC1 CBR00882 [1,0,0,1,0,0|0,0,1]=3 146 B9R1.89 O=CC1CCCCCC1 PH015086 [1,0,0,1,0,0|0,0,0]=2 147 B11R1.4 C(=O)OCCCC1CCCO1 T177563 [0,1,0,1,0,0|1,0,0]=3 148 B11R1.24 NCCCN1CCNC(=O)C1 CBR02386 [0,1,0,1,0,0|2,0,0]=4 149 B11R1.101 O=C1C=CCCCCCCC1 T231835 [0,1,0,1,0,0|1,0,0]=3 150 B11R1.101 O=C1CCC=CCCCCC1 S939781 [0,1,0,1,0,0|1,0,1]=4 151 B11R1.101 O=C1CCCCCCCCN1 S929964 [0,1,0,1,0,0|0,0,0]=2 152 B11R1.101 OC1CCCC=CCCCC1 S931985 [0,1,0,1,0,0|2,0,0]=4 153 B11R1.117 C(=O)OC1CCCCOCC1 T185612 [0,1,0,1,0,0|1,0,0]=3 154 B11R1.180 CCCCCC1CCCC1=O S148938 [0,1,0,1,0,0|1,0,0]=3 155 B11R1.774 [18OH][C@@]1(CCCC[C@@H]1C)CC=C T244465 [0,1,0,1,0,0|2,0,0]=4 156 B11R1.86 CC(=O)CN1CCCCC1C R433667 [0,1,0,1,0,0|2,0,0]=4 157 B11R1.86 CC1CCCCC1CC(=O)O L127892 [0,1,0,1,0,0|1,0,0]=3 158 B11R1.86 CC\1CCCC/C1=C\C(=O)O L128546 [0,1,0,1,0,0|1,0,1]=4 159 B11R1.86 CN(C)CC1CCCCC1=O S703451 [0,1,0,1,0,0|2,0,0]=4 160 B11R1.86 CN(C)CC1CCCCC1=O S935484 [0,1,0,1,0,0|2,0,0]=4 161 B11R1.91 CC(=O)CCN1CCCCC1 S429961 [0,1,0,1,0,0|2,0,0]=4 162 B11R1.91 CC(=O)NCC1CCCNC1 CBR01926 [0,1,0,1,0,0|1,0,0]=3 163 B11R1.91 CC(=O)NCC1CCNCC1 CBR01056 [0,1,0,1,0,0|1,0,0]=3 164 B11R1.91 CC(=O)OCC1CCCCO1 S364959 [0,1,0,1,0,0|2,0,0]=4 165 B11R1.91 NC(=O)CCC1CCCCC1 EME00450 [0,1,0,1,0,0|1,0,0]=3 166 B11R1.91 NC(=O)CCC1CCCNC1 CBR00857 [0,1,0,1,0,0|2,0,0]=4 167 B11R1.91 NC(=O)CCC1CCNCC1 CBR02356 [0,1,0,1,0,0|2,0,0]=4 168 B11R1.91 NC(=O)NCC1CCCCC1 S517046 [0,1,0,1,0,0|0,0,0]=2 169 B11R1.91 O=C(O)CNC1CCCCC1 PH010418 [0,1,0,1,0,0|2,0,0]=4 170 B11R1.143 CN1CCCCCC1C(=O)O CBR00944 [0,1,0,1,0,0|2,0,0]=4 171 B11R1.706 CC(=C1CCCCCCC1)C T187453 [0,1,0,1,0,0|2,0,0]=4 172 B11R1.742 NC(=O)NC1CCCCCC1 S344907 [0,1,0,1,0,0|0,0,0]=2 173 B11R1.742 O=C(O)CN1CCCCCC1 CBR00324 [0,1,0,1,0,0|2,0,0]=4 174 B11R1.5 C(=O)O[C@@H]1CCOCC[C@H]1C T177296 [0,1,0,1,0,0|1,0,0]=3 175 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1O PH007887 [0,1,0,1,0,0|2,0,0]=4 176 B11R1.28 CCCCCN1CCNCC1 CDS004779 [0,1,0,1,0,0|1,0,1]=4 177 B11R1.28 CCNCCN1CCCCC1 CBR02321 [0,1,0,1,0,0|1,0,1]=4 178 B11R1.28 SCCNCC1CCCCC1 PH012943 [0,1,0,1,0,0|0,1,1]=4 179 B11R1.41 CCCC\1CCCC/C1=N\O PH008814 [0,1,0,1,0,0|1,0,1]=4 180 B11R1.381 CCN1CCCC[C@@H](C1=O)N CDS006876 [0,1,0,1,0,0|2,0,0]=4 181 B11R1.410 C=CC1(CCCCCCC1)O R239682 [0,1,0,1,0,0|2,0,0]=4 182 B11R2.10 O=C1C=C2CCCCC2C1 S58549 [0,0,0,2,0,0|1,0,1]=4 183 B11R2.10 S=C1NC2CCCCC2N1 R703389 [0,0,0,2,0,0|1,1,0]=4 184 B11R2.10 [C@H]12CCCC[C@@H]1CC(=O)N2 T299146 [0,0,0,2,0,0|0,0,0]=2 185 B11R2.20 C1CCC2CCCN=C2C1 PH001359 [0,0,0,2,0,0|1,0,1]=4 186 B11R2.48 O=C1N[C@H]2CC[C@@H]1CNC2 CBR01818 [0,0,0,2,0,0|1,0,0]=3 187 B11R2.68 O=C1O[C@H]2C[C@@H]1CC[C@@H]2I PH016401 [0,0,0,2,0,0|2,0,0]=4 188 B11R2.106 [C@@H]12CCCC(=C)[C@@H]1CCC2 T172464 [0,0,0,2,0,0|2,0,0]=4 189 B11R2.106 [C@@H]12CCCC(=O)[C@@H]1CCC2 T167339 [0,0,0,2,0,0|1,0,0]=3 190 B11R2.8 [C@@H]12CCC[C@@H]1[C@@H](C(=O)C2)C T298115 [0,0,0,2,0,0|1,0,0]=3 191 B11R2.474 O=C1CCCC2CCC1O2 T173460 [0,0,0,2,0,0|2,0,0]=4 192 B11R2.513 [C@@H]12CCCCCC(=O)C1C2 T172456 [0,0,0,2,0,0|1,0,0]=3 193 B11R2.513 [C@@H]12CCCCCC(=O)[C@@H]1C2 T172480 [0,0,0,2,0,0|1,0,0]=3 194 B11R2.531 [C@H]12CCC(=O)C([C@H]1CC2)C T181080 [0,0,0,2,0,0|1,0,0]=3 195 B11R2.61 [C@H]12C=CC(=O)CCC1CC2 T182117 [0,0,0,2,0,0|1,0,1]=4 196 B11R2.1 O=C1CCC2C1CCCC2 T181331 [0,0,0,2,0,0|1,0,0]=3 197 B11R2.1 O=C1NN=C2C1CCCC2 R448818 [0,0,0,2,0,0|1,0,1]=4 198 B11R2.1 O=C1OC[C@H]2[C@@H]1CCOC2 PH016417 [0,0,0,2,0,0|2,0,0]=4 199 B11R2.1 [C@@H]12CCCC[C@@H]1C(=O)CC2 T181420 [0,0,0,2,0,0|1,0,0]=3 200 B11R2.199 O=C1C2CCCCC1CC2 T299324 [0,0,0,2,0,0|1,0,0]=3 201 B11R2.210 CCC12CC1CCCC2=O T293164 [0,0,0,2,0,0|1,0,0]=3 202 B11R2.3 O=C1CCCC12CCCS2 T251763 [0,0,0,2,0,0|2,0,0]=4 203 B11R2.135 [C@H]12CCCCC(=C)C[C@H]1C2 T179760 [0,0,0,2,0,0|2,0,0]=4 204 B11R2.135 [C@H]12CCCCC(=O)C[C@H]1C2 T179965 [0,0,0,2,0,0|1,0,0]=3 205 B11R2.111 O=C1C=CCC2CC2CC1 T198935 [0,0,0,2,0,0|1,0,1]=4