0 B11R1.1074 CCC1(CCCCC1)C(=O)N PH008848 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.1074 CCC1(CCCNC1)C(=O)O CBR02413 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.1074 CCC1(CCNCC1)C(=O)O CBR01341 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.1074 N#CC1(CCOCC1)C(=O)O CDS009722 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.363 CC(=O)C1(C=CCCC1)C T166812 [1,0,0,0,0,0|1,0,2]=4 5 B10R1.363 CC1(CCCCC1)C(=O)Cl S662380 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.363 CC1(CCCNC1)C(=O)N CBR02426 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.363 CC1(CCCNC1)C(=O)O CBR01687 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.363 CC1(CCCNC1)C(=O)O PHB00204 [1,0,0,0,0,0|1,0,0]=2 9 B10R1.363 CC1(CCNCC1)C(=O)N CBR01691 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.363 CC1(CCNCC1)C(=O)O CBR01543 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.363 C[C@]1(C=CCCC1)C(=O)O T286788 [1,0,0,0,0,0|0,0,2]=3 12 B10R1.363 N=C(N)C1(CCCCC1)O PH016272 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.363 NC(=O)C1(CCCCC1)Cl PH007086 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.363 NC(=O)C1(CCCCC1)N CBR01964 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.363 NC1(CCCCC1)C(=O)O S235024 [1,0,0,0,0,0|0,0,0]=1 16 B10R1.363 O=C(O)C1(CCNCC1)O CBR01688 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.487 N#CC1(CCCCC1)NO S677132 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.487 OCC1(CCCCC1)CO PH007935 [1,0,0,0,0,0|2,0,1]=4 19 B12R1.2627 CCCC1(CCCCC1)C(=O)N PH007762 [0,1,0,0,0,0|2,0,0]=3 20 B12R1.3098 CC(O)C1(CCCCC1)[N+](=O)[O-] S919128 [0,1,0,0,0,0|2,0,1]=4 21 B12R1.3098 CN(C)C1(CCCCC1)C(=O)O R548529 [0,1,0,0,0,0|0,0,0]=1 22 B12R1.3098 CN(C)C1(CCNCC1)C(=O)O CDS002582 [0,1,0,0,0,0|1,0,0]=2 23 B12R1.3098 O=C(O)C1(CCOCC1)C(=O)O PH007981 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.3824 CN1CCC(CC1)(CF)C(=O)O PH018910 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.3861 O=S(=O)(O)C1(CCCCC1)CCl T164070 [0,1,0,0,0,0|3,0,0]=4 26 B10R0.133 CCCCC(C)(CC)C(=O)O S876577 [0,0,1,0,0,0|1,0,0]=2 27 B12R2.8 O=C1NCCC12CCCNC2 CDS009342 [0,0,0,1,0,0|3,0,0]=4 28 B12R1.3862 CC(=O)OC1(CCCCC1)C#N S431044 [0,0,0,0,0,1|3,0,0]=4 29 B9R0.47 [C@@H](N)(CSCCO)C(=O)O PH010771 [1,0,1,0,0,0|2,0,0]=4 30 B9R0.62 CCCC(CC)(CC)CO S360538 [1,0,1,0,0,0|1,0,1]=4 31 B9R0.78 CCC(CC)(CBr)C(=O)O PH015919 [1,0,1,0,0,0|2,0,0]=4 32 B9R0.78 CCC(CC)(CN)C(=O)O CBR00864 [1,0,1,0,0,0|2,0,0]=4 33 B9R0.51 CCCCC(C)(C)C(=O)O PH000318 [1,0,1,0,0,0|0,0,0]=2 34 B9R1.6 CC(=O)C1CCCCC1 PH000084 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.6 CC(=O)C1CCCNC1 CBR02306 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.6 NC(=O)C1CCCCN1 CDS009633 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.6 O=C(Cl)C1CCOCC1 CDS016614 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.6 O=C(Cl)C1CCOCC1 SYX00374 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.6 O=C(O)C1CCCCO1 CDS015473 [2,0,0,0,0,0|1,0,0]=3 40 B9R1.6 O=C(O)C1CCCOC1 CDS010407 [2,0,0,0,0,0|1,0,0]=3 41 B9R1.6 O=C(O)C1CCSCN1 CBR00886 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.6 O=C(O)C1CNCCN1 PH011527 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.6 O=C(O)C1CNCCO1 CDS017627 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.118 CC1(CCNCC1)CO CBR01674 [2,0,0,0,0,0|1,0,1]=4 45 B9R1.118 CCC1(CCCCC1)O S408468 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.118 CCC1(CCCNC1)O CBR00014 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.118 NC1(CCOCC1)CO PHB00225 [2,0,0,0,0,0|1,0,1]=4 48 B11R0.76 CCCCCCC(CC)C(=O)O PH002681 [0,1,1,0,0,0|1,0,0]=3 49 B11R0.78 CCCCCC(CCC)C(=O)O VBP00053 [0,1,1,0,0,0|1,0,0]=3 50 B11R0.153 CCCCCC(C(=O)O)C(=O)O L496308 [0,1,1,0,0,0|2,0,0]=4 51 B11R0.356 CCCCC(CC)(CC)C(=O)O PH007545 [0,1,1,0,0,0|1,0,0]=3 52 B11R1.220 CN1CCC(CC1)(C)C(=O)O T310751 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.220 CN1CCC(CC1)(F)C(=O)O PH019046 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.220 CN1CCC(CC1)(N)C(=O)O CBR01660 [1,1,0,0,0,0|1,0,0]=3 55 B11R1.220 CN1CCC(CC1)(O)C(=O)O CBR01821 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.878 CNC(=O)C1(CCCNC1)C CBR02419 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.878 COC(=O)C1(CCCCC1)N CDS013883 [1,1,0,0,0,0|0,0,0]=2 58 B11R1.878 COC(=O)C1(CCCCC1)O S39366 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.878 COC(=O)C1(CCCCN1)C CBR01528 [1,1,0,0,0,0|1,0,0]=3 60 B11R1.878 COC(=O)C1(CCCNC1)C CBR01681 [1,1,0,0,0,0|1,0,0]=3 61 B11R1.878 COC(=O)C1(CCCNC1)C PHB00205 [1,1,0,0,0,0|1,0,0]=3 62 B11R1.878 COC(=O)C1(CCNCC1)C CBR01555 [1,1,0,0,0,0|1,0,0]=3 63 B11R1.878 COC(=O)C1(CCOCC1)F PHB00231 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.878 COC(=O)C1(CCOCC1)N PHB00282 [1,1,0,0,0,0|1,0,0]=3 65 B11R1.878 COC(=O)C1(CCOCC1)O CDS021185 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.878 COC(=O)C1(CCOCC1)O PHB00297 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.878 O=C(CO)C1(CCCCC1)O T273163 [1,1,0,0,0,0|1,0,0]=3 68 B11R1.1253 CCCC1(CCCCC1)NC PH012559 [1,1,0,0,0,0|1,0,1]=4 69 B11R1.1253 CCNC1(CCCCC1)C#N S432946 [1,1,0,0,0,0|1,0,1]=4 70 B11R1.1253 CNCC1(CCOCC1)CO CBR00414 [1,1,0,0,0,0|1,0,1]=4 71 B11R1.1472 CCC1(CCCN1)C(=O)OC CDS021251 [0,1,0,0,1,0|2,0,0]=4 72 B13R1.6424 CCCCC1(CCCCC1)C(=O)O PH007537 [0,2,0,0,0,0|1,0,0]=3 73 B13R1.7274 COCC1(CCN(CC1)C)C(=O)O PH018834 [0,2,0,0,0,0|2,0,0]=4 74 B11R1.3 CCN1CCC(CC1)C(=O)O CBR00745 [0,0,1,1,0,0|2,0,0]=4 75 B11R1.3 NCC1CCC(CC1)C(=O)O S429554 [0,0,1,1,0,0|2,0,0]=4 76 B11R1.124 CCCC1CN[C@@H](C1)C(=O)O PH009132 [0,0,1,1,0,0|0,0,0]=2 77 B11R1.143 CN1CCCCCC1C(=O)O CBR00944 [0,0,1,1,0,0|0,0,0]=2 78 B11R1.180 CCCCCC1CCCC1=O S148938 [0,0,1,1,0,0|2,0,0]=4 79 B11R1.298 NCC(C(=O)O)C1CCCC1 PH015305 [0,0,1,1,0,0|2,0,0]=4 80 B11R1.737 O=C(O)C1(CCCCCC1)O S459178 [0,0,1,1,0,0|2,0,0]=4 81 B13R2.11128 O=C1CCCC2(C1)CCCCC2 S757470 [0,0,0,1,0,1|2,0,0]=4 82 B13R2.14 O=C1CCCCC12CCCCC2 T295582 [0,1,0,1,0,0|2,0,0]=4 83 B13R2.22973 CC1(C2CCC1(CC2)C(=O)N)C S859532 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.163 CC1(CCCC1)C(=O)N S11585 [1,0,0,0,1,0|1,0,0]=3 85 B9R1.163 CC1(OCCO1)C(=O)O CBR01802 [1,0,0,0,1,0|2,0,0]=4 86 B9R1.163 O=C(O)C1(CCCC1)O CBR00072 [1,0,0,0,1,0|1,0,0]=3 87 B9R1.163 O=C(O)C1(CCSC1)O PH001084 [1,0,0,0,1,0|2,0,0]=4 88 B9R1.119 CCC1(COC1)C(=O)O SYX00406 [0,0,0,0,2,0|2,0,0]=4 89 B11R1.928 CC(=O)NC1(CCCCC1)C PH011306 [1,0,0,0,0,1|1,0,0]=3 90 B11R1.928 NC1(CCOCC1)CC(=O)O CBR02168 [1,0,0,0,0,1|1,0,0]=3 91 B11R1.928 O=C(O)CC1(CCCCC1)O CDS001976 [1,0,0,0,0,1|1,0,0]=3