0 B9R0.45 CCCCCCCCON PH014161 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.45 CCCCCCSCCO S362344 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.45 CCCSCCSCCC S347841 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.4 CCCCCSCCO S357928 [1,0,0,0,0,0|3,0,0]=4 4 B8R0.4 CCNCCCCCO PH007898 [1,0,0,0,0,0|2,0,0]=3 5 B8R0.4 COCCCNCCO OTV000453 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.4 NCCCOCCCN PH000107 [1,0,0,0,0,0|2,0,0]=3 7 B10R0.4 CCCCCCCCC(C)N T151068 [0,1,0,0,0,0|3,0,0]=4 8 B10R0.71 CCCCCCNCCCC OTV000454 [0,1,0,0,0,0|3,0,0]=4 9 B10R0.71 CCCCCCOCCCN S392022 [0,1,0,0,0,0|3,0,0]=4 10 B10R0.71 COCCCCCCCCN PH012543 [0,1,0,0,0,0|3,0,0]=4 11 B10R0.71 N#CCCNCCNCCN S938300 [0,1,0,0,0,0|0,0,1]=2 12 B10R0.71 NCCCOCCOCCO PH002424 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.4 CC1CCCCN1CCN PH015207 [0,0,0,1,0,0|2,0,0]=3 14 B10R1.4 NCCN1CCCCC1=O CBR02341 [0,0,0,1,0,0|2,0,1]=4 15 B10R1.5 N/N=C/1\NCCN1CCO PH012435 [0,0,0,1,0,0|2,0,1]=4 16 B10R1.17 CCCNC1CCCCC1 CDS008806 [0,0,0,1,0,0|3,0,0]=4 17 B10R1.17 OCCCC1CCCCN1 CBR01786 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.17 OCCCC1CCCNC1 CBR00005 [0,0,0,1,0,0|3,0,0]=4 19 B10R1.17 OCCNC1CCCCC1 T308269 [0,0,0,1,0,0|3,0,0]=4 20 B10R1.85 CCCN1CCCNCC1 PH014388 [0,0,0,1,0,0|2,0,0]=3 21 B10R1.85 ClCCN1CCCCCC1 CDS001460 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.85 NCCC1CCCCCC1 CBR01497 [0,0,0,1,0,0|3,0,0]=4 23 B10R1.85 OCCN1CCCCCC1 S362328 [0,0,0,1,0,0|3,0,0]=4 24 B7R0.1 CCCCSCCC S367192 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.1 CCCCSCCO S527408 [2,0,0,0,0,0|2,0,0]=4 26 B7R0.1 CCCOCCCN CDS000217 [2,0,0,0,0,0|2,0,0]=4 27 B7R0.1 CCOCCCNN PH019429 [2,0,0,0,0,0|2,0,0]=4 28 B7R0.1 CCSCCSCC S347876 [2,0,0,0,0,0|2,0,0]=4 29 B7R0.1 CNCCCCCO PH007838 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.1 CNCCNCCO S522449 [2,0,0,0,0,0|1,0,0]=3 31 B7R0.1 COCCOCCN CDS022898 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.1 N#CCCCCCN PH014777 [2,0,0,0,0,0|0,0,2]=4 33 B7R0.1 NCCCNCCO S446831 [2,0,0,0,0,0|1,0,0]=3 34 B7R0.1 NCCNCCCO CDS000635 [2,0,0,0,0,0|1,0,0]=3 35 B7R0.1 OCCCNCCO S408409 [2,0,0,0,0,0|2,0,0]=4 36 B9R0.5 CCCCCC(C)CCN PH007332 [1,1,0,0,0,0|2,0,0]=4 37 B11R0.3 CCCCCCCCNCCN PH000414 [0,2,0,0,0,0|2,0,0]=4 38 B11R0.3 CCCCCCCCNCCN S235881 [0,2,0,0,0,0|2,0,0]=4 39 B9R1.8 BrCCC1CCCCN1 CBR00714 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.8 C#CCN1CCNCC1 CDS011390 [1,0,0,1,0,0|1,0,1]=4 41 B9R1.8 CCCC1COCCN1 CBR00294 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.8 ClCCN1CCCCC1 PH010519 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.8 N1CCC(CC1)CCC S409944 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.8 NCCC1CCCCC1 CDS013643 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.8 NCCC1CCCOC1 CDS009278 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.8 NCCC1CCOCC1 CDS006180 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.8 OCCC1CNCCO1 CDS009186 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.8 SCCN1CCOCC1 CDS010625 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.12 CCCNC1CCCC1 CBR00869 [1,0,0,1,0,0|2,0,0]=4 50 B9R1.12 NCCCC1CCCC1 CBR01730 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.12 NCCCC1CCOC1 T325317 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.14 CCN1CCCC1CCl CBR01539 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.14 CCN1CCC[C@H]1CO CBR02172 [1,0,0,1,0,0|2,0,0]=4 54 B9R1.15 NC[C@@H]1CC=CC[C@@H]1N BBO000356 [1,0,0,1,0,0|1,0,1]=4 55 B9R1.15 NC[C@@H]1CCCC[C@@H]1N BBO000355 [1,0,0,1,0,0|1,0,0]=3 56 B9R1.15 NC[C@@H]1CCCC[C@H]1N BBO000357 [1,0,0,1,0,0|1,0,0]=3 57 B9R1.15 NC[C@H]1CCCC[C@H]1O BBO000725 [1,0,0,1,0,0|2,0,0]=4 58 B9R1.15 NC[C@H]1CCCC[C@H]1O CDS006535 [1,0,0,1,0,0|2,0,0]=4 59 B9R1.15 OC[C@H]1CCNC[C@H]1O CBR01689 [1,0,0,1,0,0|2,0,0]=4 60 B9R1.33 CC1CCCN1CCO PH015834 [1,0,0,1,0,0|2,0,0]=4 61 B9R1.33 CCO[C@H]1COC[C@@H]1N CBR02385 [1,0,0,1,0,0|2,0,0]=4 62 B9R1.89 CCC1CCCNCC1 CBR01788 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.89 CCN1CCCNCC1 CBR02337 [1,0,0,1,0,0|1,0,0]=3 64 B11R1.16 CN(CCN)C1CCCCC1 OTV000938 [0,1,0,1,0,0|2,0,0]=4 65 B11R1.135 CN1CCCN(CC1)CCN PH016273 [0,1,0,1,0,0|1,0,0]=3 66 B11R1.189 NCCN1CCCC(C1)CO CBR01408 [0,1,0,1,0,0|2,0,0]=4 67 B11R1.203 CNCCN1CCCCCC1 PH017966 [0,1,0,1,0,0|2,0,0]=4 68 B11R1.203 NCCCN1CCCCCC1 PH005125 [0,1,0,1,0,0|2,0,0]=4 69 B11R1.605 CC1CCCC(N1CCN)C PH015314 [0,1,0,1,0,0|2,0,0]=4 70 B11R1.605 C[C@H]1CCC[C@H](N1CCN)C PH015712 [0,1,0,1,0,0|2,0,0]=4 71 B11R2.20 C1CCN2CCNCC2C1 T165344 [0,0,0,2,0,0|2,0,0]=4 72 B11R2.20 C1CC[C@H]2NCCN[C@@H]2C1 PH008015 [0,0,0,2,0,0|2,0,0]=4 73 B11R2.106 CC1NCCN2C1CCC2 CBR01507 [0,0,0,2,0,0|2,0,0]=4 74 B11R2.36 C[C@@H]1CN2CCC[C@@H]2CN1 PH018826 [0,0,0,2,0,0|2,0,0]=4 75 B11R2.1098 NCC12CCCN1CCC2 CBR00682 [0,0,0,2,0,0|2,0,0]=4