0 B9R0.45 BrCCCCCCCCBr 212569 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.45 CCCCCCCCCBr 001132 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.45 CCCCCCCCCC 520891 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.45 CCCCCCCCCI 149300 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.45 CCCCCCCCCN 018926 [0,0,0,0,0,0|3,0,0]=3 5 B9R0.45 CCCCCCCCCO 101572 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.45 CCCCCCNCCN 457429 [0,0,0,0,0,0|2,0,0]=2 7 B9R0.45 CCCCCNCCCN 104978 [0,0,0,0,0,0|4,0,0]=4 8 B9R0.45 ClCCCCCCCCCl 099031 [0,0,0,0,0,0|4,0,0]=4 9 B9R0.45 ClCCOCCOCCCl 002889 [0,0,0,0,0,0|4,0,0]=4 10 B9R0.45 ICCCCCCCCI 104507 [0,0,0,0,0,0|4,0,0]=4 11 B9R0.45 NCCCCCCCCN 462631 [0,0,0,0,0,0|2,0,0]=2 12 B9R0.45 NCCOCCOCCN 098860 [0,0,0,0,0,0|2,0,0]=2 13 B9R0.45 NCCOCCOCCO 237702 [0,0,0,0,0,0|3,0,0]=3 14 B9R0.45 OCCCCCCCCBr 037015 [0,0,0,0,0,0|4,0,0]=4 15 B9R0.45 OCCCCCCCCO 078005 [0,0,0,0,0,0|4,0,0]=4 16 B9R0.45 OCCNCCNCCO 099106 [0,0,0,0,0,0|2,0,0]=2 17 B9R0.45 OCCOCCOCCCl 240359 [0,0,0,0,0,0|4,0,0]=4 18 B9R0.45 OCCOCCOCCO 209050 [0,0,0,0,0,0|4,0,0]=4 19 B8R0.4 BrCCCCCCCBr 235871 [1,0,0,0,0,0|3,0,0]=4 20 B8R0.4 CCCCCCCCBr 021865 [1,0,0,0,0,0|3,0,0]=4 21 B8R0.4 CCCCCCCCCl 520471 [1,0,0,0,0,0|3,0,0]=4 22 B8R0.4 CCCCCCCCI 104506 [1,0,0,0,0,0|3,0,0]=4 23 B8R0.4 CCCCCCCCN 099074 [1,0,0,0,0,0|2,0,0]=3 24 B8R0.4 CCCCCCCCO 098917 [1,0,0,0,0,0|3,0,0]=4 25 B8R0.4 CCCCCCCCS 099014 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.4 CCCCCNCCC 104994 [1,0,0,0,0,0|2,0,0]=3 27 B8R0.4 CCCCNCCCN 104976 [1,0,0,0,0,0|3,0,0]=4 28 B8R0.4 CCCCOCCCN 386779 [1,0,0,0,0,0|3,0,0]=4 29 B8R0.4 CCOCCNCCN 105133 [1,0,0,0,0,0|1,0,0]=2 30 B8R0.4 NCCCCCCCN 321947 [1,0,0,0,0,0|1,0,0]=2 31 B8R0.4 NCCCNCCCN 358058 [1,0,0,0,0,0|2,0,0]=3 32 B10R0.71 CCCCCCCCCCN 240983 [0,1,0,0,0,0|3,0,0]=4 33 B10R0.71 CCCCCCNCCC#N 018707 [0,1,0,0,0,0|2,0,1]=4 34 B10R0.71 CCCCCCNCCCC 105063 [0,1,0,0,0,0|3,0,0]=4 35 B10R0.71 CCCCCCNCCCN 105016 [0,1,0,0,0,0|2,0,0]=3 36 B10R0.71 NCCCCCCCCCN 493684 [0,1,0,0,0,0|2,0,0]=3 37 B10R1.17 OCCCC1CCCCN1 309005 [0,0,0,1,0,0|3,0,0]=4 38 B10R1.17 OCCNC1CCCCC1 094557 [0,0,0,1,0,0|3,0,0]=4 39 B10R1.85 ClCCN1CCCCCC1 067867 [0,0,0,1,0,0|3,0,0]=4 40 B10R1.85 NCCN1CCCCCC1 019194 [0,0,0,1,0,0|2,0,0]=3 41 B10R1.85 OCCN1CCCCCC1 403688 [0,0,0,1,0,0|3,0,0]=4 42 B7R0.1 BrCCCCCCBr BR1156 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.1 CCCCCCCBr BR1073 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.1 CCCCCCCC 162200 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.1 CCCCCCCCl 106679 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.1 CCCCCCCF 003481 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.1 CCCCCCCI 243077 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.1 CCCCCCCN 099080 [2,0,0,0,0,0|1,0,0]=3 49 B7R0.1 CCCCCCCO 101569 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.1 CCCCCCNC 402340 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.1 CCCCNCC#N 099121 [2,0,0,0,0,0|0,0,2]=4 52 B7R0.1 CCCCNCCC 099392 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.1 CCCCNCCN 456370 [2,0,0,0,0,0|0,0,0]=2 54 B7R0.1 CCCCNCCO 115900 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.1 CCCCOCCO 349293 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.1 CCCNCCCN 240393 [2,0,0,0,0,0|1,0,0]=3 57 B7R0.1 CCOCCOCC 098939 [2,0,0,0,0,0|2,0,0]=4 58 B7R0.1 ClCCCCCCBr 093960 [2,0,0,0,0,0|2,0,0]=4 59 B7R0.1 ClCCCCCCCl 242573 [2,0,0,0,0,0|2,0,0]=4 60 B7R0.1 ClCCCCCCI 098037 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.1 ICCCCCCI 349296 [2,0,0,0,0,0|2,0,0]=4 62 B7R0.1 NCCCCCCN 098831 [2,0,0,0,0,0|0,0,0]=2 63 B7R0.1 NCCCCCCO 208673 [2,0,0,0,0,0|1,0,0]=3 64 B7R0.1 NCCCNCCO 048142 [2,0,0,0,0,0|1,0,0]=3 65 B7R0.1 NCCCNCCO 106472 [2,0,0,0,0,0|1,0,0]=3 66 B7R0.1 NCCSSCCN 078973 [2,0,0,0,0,0|2,0,0]=4 67 B7R0.1 OCCCCCCCl 001744 [2,0,0,0,0,0|2,0,0]=4 68 B7R0.1 OCCCCCCO 242635 [2,0,0,0,0,0|2,0,0]=4 69 B7R0.1 SCCCCCCS 102616 [2,0,0,0,0,0|2,0,0]=4 70 B9R0.18 CN(CCCN)CCCN 046733 [1,1,0,0,0,0|2,0,0]=4 71 B11R0.3 NCCCCCCCCCCN 235695 [0,2,0,0,0,0|2,0,0]=4 72 B11R0.3 NCCCNCCNCCCN 241317 [0,2,0,0,0,0|0,0,0]=2 73 B9R1.8 C=CCN1CCNCC1 008909 [1,0,0,1,0,0|1,0,1]=4 74 B9R1.8 CCNC1CCCCC1 078851 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.8 ClCCN1CCCCC1 079109 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.8 ClCCN1CCOCC1 079579 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.8 ClCCN1CCOCC1 209973 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.8 NCCC1=CCCCC1 233674 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.8 NCCN1CCCCC1 222040 [1,0,0,1,0,0|1,0,0]=3 80 B9R1.8 NCCN1CCNCC1 079259 [1,0,0,1,0,0|0,0,0]=2 81 B9R1.8 NCCN1CCOCC1 036218 [1,0,0,1,0,0|1,0,0]=3 82 B9R1.8 NCCN1CCSCC1 080315 [1,0,0,1,0,0|1,0,0]=3 83 B9R1.8 OCCC1CCCCN1 049886 [1,0,0,1,0,0|2,0,0]=4 84 B9R1.8 OCCC1CCNCC1 005101 [1,0,0,1,0,0|2,0,0]=4 85 B9R1.8 OCCN1CCCCC1 237773 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.8 OCCN1CCNCC1 005136 [1,0,0,1,0,0|1,0,0]=3 87 B9R1.8 OCCN1CCOCC1 079380 [1,0,0,1,0,0|2,0,0]=4 88 B9R1.14 CCN1CCCC1CN 035937 [1,0,0,1,0,0|1,0,0]=3 89 B9R1.14 CCN1CCC[C@H]1CN 208756 [1,0,0,1,0,0|1,0,0]=3 90 B9R1.15 CCN1CCNCC1C 024993 [1,0,0,1,0,0|1,0,0]=3 91 B9R1.33 NCCN1CCCC1=O 037271 [1,0,0,1,0,0|1,0,1]=4 92 B9R1.33 NCCN1CCNC1=O 023487 [1,0,0,1,0,0|1,0,1]=4 93 B9R1.50 NC1CCCCCCC1 450396 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.103 C1CCCCNCCC1 230409 [1,0,0,1,0,0|2,0,0]=4 95 B11R1.28 NCCCNC1CCCCC1 242596 [0,1,0,1,0,0|2,0,0]=4 96 B11R1.203 CCCCN1CCCNCC1 017274 [0,1,0,1,0,0|2,0,0]=4 97 B11R1.237 CCC(C)NCCNC1CC1 024597 [0,1,0,1,0,0|2,0,0]=4