0 B10R0.3 CC(C)CCCC(C)CC=O CDS014268 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.1 CCC(C)CCCC(C)C S765406 [1,0,0,0,0,0|0,0,0]=1 2 B9R0.1 [C@@H](O)(CO)CCC=C(C)C T232688 [1,0,0,0,0,0|1,0,2]=4 3 B9R0.2 CC(C)CNCCCC#N PH014510 [1,0,0,0,0,0|2,0,1]=4 4 B9R0.2 CCCCCCCC(C)Br S438758 [1,0,0,0,0,0|2,0,0]=3 5 B9R0.5 C=CCC(O)CCCCC S417475 [1,0,0,0,0,0|2,0,1]=4 6 B9R0.5 CCCCC/C(=C/CO)/I S326747 [1,0,0,0,0,0|1,0,2]=4 7 B9R0.5 CCCCCC(=O)CCC S411825 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.5 CCCCCC(C)CCC S431648 [1,0,0,0,0,0|1,0,0]=2 9 B9R0.5 CCCCCC(C)CCN PH007332 [1,0,0,0,0,0|1,0,0]=2 10 B9R0.5 CCCCOC(C)OCC S240214 [1,0,0,0,0,0|3,0,0]=4 11 B11R0.6 CC(=CCCC(C)CC(C)O)C S311332 [0,1,0,0,0,0|0,0,2]=3 12 B11R0.6 CC(C)CCCC(C)NC(C)C S654957 [0,1,0,0,0,0|2,0,0]=3 13 B11R0.174 C/C(=C/CC[C@H](C)CCO)/CO T239585 [0,1,0,0,0,0|0,0,2]=3 14 B11R1.64 CC1=C([C@H](CC1)C(C)C)CO T224928 [0,0,0,1,0,0|0,0,2]=3 15 B11R1.135 CN1CCCN(CC1)CCN PH016273 [0,0,0,1,0,0|3,0,0]=4 16 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@H]1N)C PH015551 [0,0,0,1,0,0|1,0,0]=2 17 B11R1.565 CC1CCNC(CC1)C(C)C T176184 [0,0,0,1,0,0|1,0,0]=2 18 B9R0.48 CCOC(C)OCC(C)C CDS018832 [0,0,0,0,1,0|3,0,0]=4 19 B8R0.6 CCC(C)CNCCO S393967 [2,0,0,0,0,0|2,0,0]=4 20 B8R0.6 CCCCSC(C)CC S570613 [2,0,0,0,0,0|1,0,0]=3 21 B8R0.6 CCOCCC(O)CC S347981 [2,0,0,0,0,0|2,0,0]=4 22 B8R0.7 CC(C)CCCCCN CDS001505 [2,0,0,0,0,0|1,0,0]=3 23 B8R0.7 CC(C)CCNCCO S393983 [2,0,0,0,0,0|1,0,0]=3 24 B8R0.7 CCCCCCC(C)C S430935 [2,0,0,0,0,0|0,0,0]=2 25 B8R0.7 CCCCCCC(C)Cl S564516 [2,0,0,0,0,0|1,0,0]=3 26 B8R0.7 CCCCSCC(C)C S570567 [2,0,0,0,0,0|1,0,0]=3 27 B8R0.7 CN(C)CCCCCN CDS002923 [2,0,0,0,0,0|2,0,0]=4 28 B8R0.28 CC(=CCC[C@H](C)O)C T296155 [2,0,0,0,0,0|0,0,2]=4 29 B8R0.28 CC(=O)CCCC(C)C CDS000306 [2,0,0,0,0,0|0,0,2]=4 30 B8R0.28 CC(C)CCCC(=O)O CDS003381 [2,0,0,0,0,0|1,0,1]=4 31 B8R0.28 CC(C)CNCC(C)C S835676 [2,0,0,0,0,0|1,0,0]=3 32 B8R0.28 CC(C)COCC(C)O CDS018532 [2,0,0,0,0,0|1,0,0]=3 33 B8R0.28 CC(O)COCC(C)O PH011069 [2,0,0,0,0,0|2,0,0]=4 34 B8R0.28 [C@H](C)(O)CCC=C(C)C T232645 [2,0,0,0,0,0|0,0,2]=4 35 B8R0.4 C#CCCCCCCO SYX00205 [2,0,0,0,0,0|0,0,2]=4 36 B8R0.4 C(=C/CCCCCO)\C T264652 [2,0,0,0,0,0|0,0,2]=4 37 B8R0.4 CC#CCCCCCO T264709 [2,0,0,0,0,0|0,0,2]=4 38 B8R0.4 CCCCCCCSC S570729 [2,0,0,0,0,0|2,0,0]=4 39 B8R0.4 CCCCCCC[Hg]Cl S572500 [2,0,0,0,0,0|2,0,0]=4 40 B8R0.4 CCCCCSCCO S357928 [2,0,0,0,0,0|1,0,0]=3 41 B8R0.4 CCCCNCCCC S367869 [2,0,0,0,0,0|2,0,0]=4 42 B8R0.4 CCCCNCCCC S503894 [2,0,0,0,0,0|2,0,0]=4 43 B8R0.4 CCCCNCCCC S566152 [2,0,0,0,0,0|2,0,0]=4 44 B8R0.4 CCNCCCCCO PH007898 [2,0,0,0,0,0|1,0,0]=3 45 B8R0.4 COCCCNCCO OTV000453 [2,0,0,0,0,0|2,0,0]=4 46 B8R0.4 CSCCCCCCO S931667 [2,0,0,0,0,0|1,0,0]=3 47 B8R0.4 OCCCNCCCO PH010217 [2,0,0,0,0,0|2,0,0]=4 48 B8R0.4 [NH2+](CCCC)CCCC S348880 [2,0,0,0,0,0|2,0,0]=4 49 B8R0.1 CCCCN(C)CCN PH014575 [2,0,0,0,0,0|2,0,0]=4 50 B8R0.1 CCCCN(C)CCO PH017931 [2,0,0,0,0,0|1,0,0]=3 51 B10R0.77 CCN(CC)CCCC(C)O R750255 [1,1,0,0,0,0|2,0,0]=4 52 B10R0.4 C=COCCCCCC(C)C S399728 [1,1,0,0,0,0|1,0,1]=4 53 B10R0.4 CC(=CCCCCCCBr)C S793051 [1,1,0,0,0,0|1,0,1]=4 54 B10R0.4 CC(C)CCCCCCCO PH008704 [1,1,0,0,0,0|0,0,0]=2 55 B10R0.4 CC(O)COCCOCCO S346039 [1,1,0,0,0,0|2,0,0]=4 56 B10R0.4 CCCCCCCCC(C)N T151068 [1,1,0,0,0,0|2,0,0]=4 57 B10R0.6 CCCCCC(C)NC(C)C PH013772 [1,1,0,0,0,0|2,0,0]=4 58 B10R0.6 CCCCCC(O)CC(C)C S417432 [1,1,0,0,0,0|1,0,0]=3 59 B10R0.22 CC(C)(C)NCCCCCO PH013046 [1,1,0,0,0,0|1,0,0]=3 60 B10R0.74 CCCCCCCC(O)CC CDS001495 [1,1,0,0,0,0|2,0,0]=4 61 B10R0.75 CCCCCCC(=O)C(C)C S350575 [1,1,0,0,0,0|1,0,1]=4 62 B10R0.75 CCCCCCC(C)N(C)C S336998 [1,1,0,0,0,0|2,0,0]=4 63 B10R0.75 CCCCCCC(O)C(C)C S417424 [1,1,0,0,0,0|1,0,0]=3 64 B10R0.97 CC(C)CCNCCC(C)C PH012262 [1,1,0,0,0,0|2,0,0]=4 65 B10R0.97 CC(C)CCNCCC(C)C PH015267 [1,1,0,0,0,0|2,0,0]=4 66 B10R0.97 CC(C)CCSCCC(C)C S570478 [1,1,0,0,0,0|2,0,0]=4 67 B10R0.83 CCCCCC(O)C(C)CC S417440 [1,1,0,0,0,0|2,0,0]=4 68 B10R0.156 CCCCCC(C)(O)CCC S417459 [1,1,0,0,0,0|1,0,0]=3 69 B10R0.105 CC(=CCC(C)(C)CCO)C T274461 [0,1,0,0,1,0|0,0,2]=4 70 B12R0.3 C(C)(C)CC(C)CC(O)CC(C)C S351334 [0,2,0,0,0,0|1,0,0]=3 71 B12R0.240 CC(C)CCCC(C)NC(=O)CCl S380350 [0,2,0,0,0,0|1,0,1]=4 72 B12R0.573 COC(C)(C)CCCC(C)CC=O PH018180 [0,2,0,0,0,0|0,0,2]=4 73 B10R1.13 CC(C)N1CCC(CC1)N CDS007349 [1,0,0,1,0,0|2,0,0]=4 74 B10R1.13 CC(C)N1CCC(CC1)N L480754 [1,0,0,1,0,0|2,0,0]=4 75 B10R1.13 CC1CCC(CC1)C(C)O PH000605 [1,0,0,1,0,0|1,0,0]=3 76 B10R1.13 CN(C)C1CCC(CC1)N CDS010169 [1,0,0,1,0,0|2,0,0]=4 77 B10R1.31 CC(C)N1CCC(C1)CBr CBR01437 [1,0,0,1,0,0|2,0,0]=4 78 B10R1.31 CC(C)N1CCC(C1)CN CDS009296 [1,0,0,1,0,0|2,0,0]=4 79 B10R1.31 CC(C)N1CCC(C1)CO CBR00264 [1,0,0,1,0,0|1,0,0]=3 80 B10R1.171 CC1(CCC/C(=N/O)/C1)C PH009687 [1,0,0,1,0,0|1,0,1]=4 81 B10R1.485 CC1CCCC(O1)(C)CO PH018430 [1,0,0,1,0,0|1,0,0]=3 82 B10R1.485 CC1CCOC(O1)(C)CO S697842 [1,0,0,1,0,0|2,0,0]=4 83 B10R1.485 CN1CCCC(C1)(C)CO CBR00480 [1,0,0,1,0,0|1,0,0]=3 84 B10R1.10 CN1CCOC(C1)CCO CBR00293 [1,0,0,1,0,0|2,0,0]=4 85 B10R1.18 CC(C)CC1CCCCC1 S564869 [1,0,0,1,0,0|1,0,0]=3 86 B10R1.18 CC(C)CC1COCCN1 CBR00867 [1,0,0,1,0,0|2,0,0]=4 87 B10R1.18 CC(C)OC1CCCCO1 T332879 [1,0,0,1,0,0|1,0,0]=3 88 B10R1.38 C[C@@]1(CCCC[C@H]1CN)O BBO000381 [1,0,0,1,0,0|2,0,0]=4 89 B10R1.61 CC(O)C1CCCCC1O S362417 [1,0,0,1,0,0|1,0,0]=3 90 B10R1.64 CC(C)C[C@H]1CCC[C@H]1N PH018575 [1,0,0,1,0,0|1,0,0]=3 91 B10R1.64 CC(C)O[C@H]1CNC[C@@H]1O CBR02400 [1,0,0,1,0,0|2,0,0]=4 92 B10R1.78 CC1CCCCCCCC1 T187364 [1,0,0,1,0,0|1,0,0]=3 93 B10R1.133 CC1(CCCN1CCCl)C PH019547 [1,0,0,1,0,0|2,0,0]=4 94 B10R1.162 CN1CCNCC(C1)CO PH019191 [1,0,0,1,0,0|2,0,0]=4 95 B10R1.11 CN(CCO)[C@@H]1CCNC1 PH019454 [1,0,0,1,0,0|2,0,0]=4 96 B10R1.85 CCNC1CCCCCC1 CBR00395 [1,0,0,1,0,0|2,0,0]=4 97 B10R1.85 ClCCN1CCCCCC1 CDS001460 [1,0,0,1,0,0|2,0,0]=4 98 B10R1.85 NCCC1CCCCCC1 CBR01497 [1,0,0,1,0,0|1,0,0]=3 99 B10R1.85 OCCN1CCCCCC1 S362328 [1,0,0,1,0,0|1,0,0]=3 100 B10R1.245 CC1CCCC(C1=NO)C PH009689 [1,0,0,1,0,0|1,0,1]=4 101 B10R1.1 CCCN1CCC(CC1)C S647748 [0,0,0,1,1,0|2,0,0]=4 102 B10R1.1 CN1CCC(CC1)CCN CDS022275 [0,0,0,1,1,0|2,0,0]=4 103 B12R1.1218 CC1CCC(NC(=O)C1)C(C)C T176168 [0,1,0,1,0,0|0,0,2]=4 104 B12R1.1280 CC1CCC(C(C1)(C)O)C(C)C S311359 [0,1,0,1,0,0|0,0,0]=2 105 B12R1.113 CC(C)N1CCC(CC1)CCN CBR01229 [0,1,0,1,0,0|2,0,0]=4 106 B12R1.113 CC(C)N1CCN(CC1)CCO CDS004828 [0,1,0,1,0,0|2,0,0]=4 107 B12R1.269 CC1(OC[C@H](C(O1)CCO)O)C T286168 [0,1,0,1,0,0|2,0,0]=4 108 B12R1.1038 CC1CCCC(CCC1=O)(C)C T191744 [0,1,0,1,0,0|1,0,1]=4 109 B12R1.1809 CC(=CCCC1(OCCO1)C)C S83969 [0,1,0,1,0,0|0,0,2]=4 110 B12R1.1809 CC(=CCCC1(OCCO1)C)C S945757 [0,1,0,1,0,0|0,0,2]=4 111 B12R1.57 CC1CCC(/C(=N/O)/C1)C(C)C T176176 [0,1,0,1,0,0|0,0,1]=3 112 B12R1.57 COC1CC(CCC1C(C)C)C S945978 [0,1,0,1,0,0|0,0,0]=2 113 B12R1.126 CC(C)(C)[C@H]1CCC(=O)C[C@H]1O T263591 [0,1,0,1,0,0|1,0,1]=4 114 B12R1.126 CC1CCC(C(C1)O)C(C)(C)C S359254 [0,1,0,1,0,0|0,0,0]=2 115 B12R1.126 C[C@H]1CC[C@@H]([C@@H](C1)O)C(C)(C)O CDS000143 [0,1,0,1,0,0|0,0,0]=2 116 B12R2.2264 CNC1C2CCC(C2)C1(C)C PH012599 [0,0,0,2,0,0|2,0,0]=4 117 B12R2.766 C[C@H]1CC(=O)C2CC1C2(C)C T258598 [0,0,0,2,0,0|0,0,2]=4 118 B12R2.2383 C1CC(CN1)COCC2CC2 PH018314 [0,0,0,2,0,0|2,0,0]=4 119 B12R2.5952 CC12CCC(C1(C)C)CNC2 T176249 [0,0,0,2,0,0|2,0,0]=4 120 B8R0.9 CCC(O)CCC(C)C CDS000278 [1,0,0,0,1,0|1,0,0]=3