0 B9R0.18 CNCCN(C)CCNC S388483 [0,0,0,0,0,0|4,0,0]=4 1 B8R0.1 CCCC(O)CCCO S838322 [1,0,0,0,0,0|3,0,0]=4 2 B8R0.1 CCCCC(=O)CCC S456489 [1,0,0,0,0,0|3,0,0]=4 3 B8R0.1 CCCCN(C)CCN PH014575 [1,0,0,0,0,0|1,0,0]=2 4 B8R0.1 CCCCN(C)CCO PH017931 [1,0,0,0,0,0|2,0,0]=3 5 B8R0.4 CCCCNCCC#N S399493 [1,0,0,0,0,0|1,0,2]=4 6 B8R0.4 CCCCNCCCC S367869 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.4 CCCCNCCCC S503894 [1,0,0,0,0,0|2,0,0]=3 8 B8R0.4 CCCCNCCCC S566152 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.4 NCCCOCCCN PH000107 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.4 OCCCNCCCO PH010217 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.4 [NH2+](CCCC)CCCC S348880 [1,0,0,0,0,0|2,0,1]=4 12 B10R0.91 CCCCOC(=O)CCCN T160474 [0,1,0,0,0,0|3,0,0]=4 13 B10R0.116 C[Si](C)(CCCO)CCCO S762970 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.4 CC1CCCCN1CCN PH015207 [0,0,0,1,0,0|3,0,0]=4 15 B10R1.4 CN1CCCCC1CCBr CBR00713 [0,0,0,1,0,0|2,0,0]=3 16 B10R1.4 CNCC1CCCCN1C CBR00038 [0,0,0,1,0,0|3,0,0]=4 17 B10R1.17 BrCCCC1CCCCC1 S345016 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.17 CCCCN1CCOCC1 S551961 [0,0,0,1,0,0|3,0,0]=4 19 B10R1.17 ClCCCC1CCCCC1 R426857 [0,0,0,1,0,0|3,0,0]=4 20 B10R1.17 N#CCCN1CCCCC1 PH016680 [0,0,0,1,0,0|1,0,2]=4 21 B10R1.17 NOCCN1CCOCC1 T160970 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.17 OCCCC1CCCNC1 CBR00005 [0,0,0,1,0,0|2,0,0]=3 23 B10R1.17 [C-]#[N+]CCN1CCCCC1 PH015020 [0,0,0,1,0,0|3,0,0]=4 24 B10R1.78 CC1CCCCCCCC1 T187364 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.162 CN1CCNCC(C1)CO PH019191 [0,0,0,1,0,0|3,0,0]=4 26 B7R0.1 CCCCSCCC S367192 [2,0,0,0,0,0|2,0,0]=4 27 B7R0.1 CCCNCCC#N PH017151 [2,0,0,0,0,0|0,0,2]=4 28 B7R0.1 CCCOCCCN CDS000217 [2,0,0,0,0,0|1,0,0]=3 29 B7R0.1 N#CCCCCCN PH014777 [2,0,0,0,0,0|0,0,2]=4 30 B7R0.1 NCCCNCCO S446831 [2,0,0,0,0,0|1,0,0]=3 31 B7R0.1 NCCNCCCO CDS000635 [2,0,0,0,0,0|1,0,0]=3 32 B7R0.1 OCCCNCCO S408409 [2,0,0,0,0,0|2,0,0]=4 33 B7R0.7 CCCC(Cl)CCC S563323 [2,0,0,0,0,0|2,0,0]=4 34 B7R0.7 CCCS(=O)CCC S440973 [2,0,0,0,0,0|2,0,0]=4 35 B9R0.5 CCCCCC(C)CCC S431648 [1,1,0,0,0,0|2,0,0]=4 36 B9R0.5 CCCCCC(C)CCN PH007332 [1,1,0,0,0,0|2,0,0]=4 37 B9R0.40 CCN(CCO)CCCN PH009963 [1,1,0,0,0,0|1,0,0]=3 38 B9R0.45 CCCCCCCCNC CDS003222 [1,1,0,0,0,0|2,0,0]=4 39 B9R0.45 CCCCCCCCON PH014161 [1,1,0,0,0,0|2,0,0]=4 40 B9R0.45 CCCCCNCCCC OTV000733 [1,1,0,0,0,0|2,0,0]=4 41 B9R0.45 CCCCNCCCCO PH011467 [1,1,0,0,0,0|2,0,0]=4 42 B11R0.36 CCCCN(CCCC)C(=O)C S613908 [0,2,0,0,0,0|2,0,0]=4 43 B11R0.158 CCCCN(CC#N)CCCC S535575 [0,2,0,0,0,0|2,0,0]=4 44 B11R0.158 CCCCN(CCCl)CCCC PH019060 [0,2,0,0,0,0|2,0,0]=4 45 B11R0.158 CCCCN(CCCl)CCCC S376264 [0,2,0,0,0,0|2,0,0]=4 46 B11R0.158 CCCCN(CCN)CCCC CDS021437 [0,2,0,0,0,0|2,0,0]=4 47 B9R1.2 CC1CCCC(C1)CBr CDS021385 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.2 CN1CCCC(C1)CBr CBR01438 [1,0,0,1,0,0|1,0,0]=3 49 B9R1.2 CN1CCNC(C1)CO CDS008722 [1,0,0,1,0,0|1,0,0]=3 50 B9R1.2 CN1CCOC(C1)CN CBR01836 [1,0,0,1,0,0|1,0,0]=3 51 B9R1.7 CCCN1CCC(C1)N CBR01729 [1,0,0,1,0,0|0,0,0]=2 52 B9R1.8 ClCCN1CCCCC1 PH010519 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.8 NCCC1CCCCC1 CDS013643 [1,0,0,1,0,0|2,0,0]=4 54 B9R1.8 NCCC1CCCOC1 CDS009278 [1,0,0,1,0,0|2,0,0]=4 55 B9R1.12 C=CCCN1CCCC1 S342858 [1,0,0,1,0,0|1,0,1]=4 56 B9R1.12 NCCCC1CCCC1 CBR01730 [1,0,0,1,0,0|1,0,0]=3 57 B9R1.12 NCCCC1CCOC1 T325317 [1,0,0,1,0,0|2,0,0]=4 58 B9R1.12 NCCCN1CCCC1 CDS003189 [1,0,0,1,0,0|0,0,0]=2 59 B9R1.12 NNCCN1CCCC1 PH017235 [1,0,0,1,0,0|1,0,0]=3 60 B9R1.15 CC[C@@H]1CNCCN1C PH018883 [1,0,0,1,0,0|2,0,0]=4 61 B9R1.15 CN1CCCCC1CBr CBR01705 [1,0,0,1,0,0|2,0,0]=4 62 B9R1.15 CN1CCCCC1CCl CBR00922 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.48 CC1CN(CCCN1)C CBR00656 [1,0,0,1,0,0|0,0,0]=2 64 B9R1.48 CC1CN(CCCN1)C PH019496 [1,0,0,1,0,0|0,0,0]=2 65 B9R1.49 CN1CCCN(CC1)C S347000 [1,0,0,1,0,0|2,0,0]=4 66 B9R1.49 CN1CCNC(=O)CC1 T298867 [1,0,0,1,0,0|1,0,1]=4 67 B9R1.69 CC1CCC(C(C1)C)O S436828 [1,0,0,1,0,0|2,0,0]=4 68 B9R1.69 CC1CN(CCN1C)C S365289 [1,0,0,1,0,0|2,0,0]=4 69 B9R1.134 CCCC1(NCCS1)C T149454 [1,0,0,1,0,0|2,0,0]=4 70 B9R1.89 OCC1CNCCCO1 CDS020100 [1,0,0,1,0,0|2,0,0]=4 71 B11R1.1 CC1CCN(CC1)CCCN CDS001621 [0,1,0,1,0,0|1,0,0]=3 72 B11R1.1 CCCCN1CCC(CC1)C S647756 [0,1,0,1,0,0|2,0,0]=4 73 B11R1.1 NCCCN1CCC(CC1)O CBR01360 [0,1,0,1,0,0|1,0,0]=3 74 B11R1.17 CC1CCCCN1CCCO S353426 [0,1,0,1,0,0|2,0,0]=4 75 B11R1.17 COCCC1CCCCN1C PH000449 [0,1,0,1,0,0|2,0,0]=4 76 B11R1.203 NCCCN1CCCCCC1 PH005125 [0,1,0,1,0,0|1,0,0]=3 77 B11R1.203 OCCCN1CCCCCC1 CBR00469 [0,1,0,1,0,0|2,0,0]=4 78 B11R1.24 NCCCN1CCNC(=O)C1 CBR02386 [0,1,0,1,0,0|1,0,1]=4 79 B11R1.40 CC(CCl)CN1CCCCC1 PH014097 [0,1,0,1,0,0|2,0,0]=4 80 B11R1.40 CC(CN)CN1CCCCC1 PH010487 [0,1,0,1,0,0|1,0,0]=3 81 B11R1.40 CC(CN)CN1CCOCC1 OTV000606 [0,1,0,1,0,0|2,0,0]=4 82 B11R1.40 CCC(N)CN1CCCCC1 CDS001860 [0,1,0,1,0,0|2,0,0]=4 83 B11R1.15 CCCC(=O)N1CCC(C1)N PH015378 [0,1,0,1,0,0|1,0,1]=4 84 B11R1.29 CN(CCCN)C1CCCC1 PH014419 [0,1,0,1,0,0|1,0,0]=3 85 B11R1.86 CN1CCCNC1CC(=O)O PH016926 [0,1,0,1,0,0|1,0,1]=4 86 B11R1.91 CC(N)CCN1CCOCC1 CBR01728 [0,1,0,1,0,0|2,0,0]=4 87 B11R1.91 NC(=O)CCC1CCCNC1 CBR00857 [0,1,0,1,0,0|1,0,1]=4 88 B11R1.28 CCNCCN1CCCCC1 CBR02321 [0,1,0,1,0,0|2,0,0]=4 89 B11R1.28 CNCCCC1CCCCC1 PH010303 [0,1,0,1,0,0|2,0,0]=4 90 B11R1.28 CNCCCN1CCOCC1 CBR02299 [0,1,0,1,0,0|2,0,0]=4 91 B11R1.28 COCCCC1CCCNC1 CBR01297 [0,1,0,1,0,0|2,0,0]=4 92 B11R1.28 N#CCCCN1CCCCC1 S354856 [0,1,0,1,0,0|1,0,1]=4 93 B11R1.28 NCCCCN1CCCCC1 PH002408 [0,1,0,1,0,0|1,0,0]=3 94 B11R1.28 NCCOCC1CCCCC1 CDS020939 [0,1,0,1,0,0|2,0,0]=4 95 B11R1.28 NNCCCC1CCCCC1 PH019011 [0,1,0,1,0,0|2,0,0]=4 96 B11R1.28 NNCCCN1CCOCC1 PH019516 [0,1,0,1,0,0|2,0,0]=4 97 B11R2.10 OC1CC2CCCCN2C1 CDS024575 [0,0,0,2,0,0|2,0,0]=4 98 B11R2.351 NC1CCN(C1)CC2CC2 CDS003852 [0,0,0,2,0,0|1,0,0]=3 99 B11R2.36 [C@@H]12CCC[C@@H]1CN(CC2)C T167525 [0,0,0,2,0,0|2,0,0]=4