0 B9R0.45 C#CCCCCCCCC 124500 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.45 C=CCCCCCCCBr 080314 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.45 C=CCCCCCCCC 200050 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.45 C=CCCCCCCNC 104201 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.45 CCCCCCCCC=O 018925 [0,0,0,0,0,0|0,0,2]=2 5 B9R0.45 CCCCCCCCCBr 001132 [0,0,0,0,0,0|1,0,3]=4 6 B9R0.45 CCCCCCCCCC 520891 [0,0,0,0,0,0|1,0,3]=4 7 B9R0.45 CCCCCCCCCI 149300 [0,0,0,0,0,0|1,0,3]=4 8 B9R0.45 CCCCCCCCCN 018926 [0,0,0,0,0,0|1,0,3]=4 9 B9R0.45 CCCCCCCCCO 101572 [0,0,0,0,0,0|0,0,4]=4 10 B9R0.45 CCCCCCCCNC 046353 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.45 CCCCCCCN=C=O 050930 [0,0,0,0,0,0|1,0,3]=4 12 B9R0.45 CCCCCC\C=C\C=O 106390 [0,0,0,0,0,0|0,0,4]=4 13 B9R0.45 CC\C=C/CCCCC=O 106733 [0,0,0,0,0,0|0,0,0]=0 14 B9R0.45 CC\C=C/CC\C=C\CO 106732 [0,0,0,0,0,0|0,0,4]=4 15 B8R0.4 C=CCCCCCCBr 043893 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.4 C=CCCCCCCI 505959 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.4 C=CCCCCCNC 104411 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.4 C=CCCC\C=C\CO 161900 [1,0,0,0,0,0|1,0,1]=3 19 B8R0.4 CCCCCCCC#N 098851 [1,0,0,0,0,0|1,0,2]=4 20 B8R0.4 CCCCCCCC=O 349298 [1,0,0,0,0,0|0,0,1]=2 21 B8R0.4 CCCCCCCCBr 021865 [1,0,0,0,0,0|1,0,2]=4 22 B8R0.4 CCCCCCCCCl 520471 [1,0,0,0,0,0|1,0,2]=4 23 B8R0.4 CCCCCCCCI 104506 [1,0,0,0,0,0|1,0,2]=4 24 B8R0.4 CCCCCCCCN 099074 [1,0,0,0,0,0|1,0,2]=4 25 B8R0.4 CCCCCCCCO 098917 [1,0,0,0,0,0|0,0,3]=4 26 B8R0.4 CCCCCCCCS 099014 [1,0,0,0,0,0|0,1,2]=4 27 B8R0.4 CCCCCCCNC 104338 [1,0,0,0,0,0|2,0,1]=4 28 B8R0.4 CCCCCCOC=O 102668 [1,0,0,0,0,0|1,0,1]=3 29 B8R0.4 CCCCCNCCC 104994 [1,0,0,0,0,0|1,0,2]=4 30 B8R0.4 CCCCC\C=C\C=O 103998 [1,0,0,0,0,0|0,0,3]=4 31 B8R0.4 CCOCCCN=C=O 043787 [1,0,0,0,0,0|2,0,1]=4 32 B10R0.1 CCCCCCC(=O)CCC 240668 [0,1,0,0,0,0|1,0,2]=4 33 B10R0.1 CCOC(=O)CCCCCBr 239007 [0,1,0,0,0,0|2,0,1]=4 34 B10R0.4 CCCCCCCCC(=O)Cl 099081 [0,1,0,0,0,0|0,0,2]=3 35 B10R0.4 CCCCCCCCC(=O)O 161400 [0,1,0,0,0,0|0,0,2]=3 36 B10R0.4 CCCCCCCCC(N)=O 099214 [0,1,0,0,0,0|0,0,2]=3 37 B10R0.4 CCCCCCCNC(C)=O 104336 [0,1,0,0,0,0|1,0,2]=4 38 B10R0.4 CCCCCCCOC(=O)Cl 024777 [0,1,0,0,0,0|1,0,2]=4 39 B10R0.4 NC(=O)CCCCCCCBr 104466 [0,1,0,0,0,0|1,0,2]=4 40 B10R0.4 O=C(Cl)CCCCCCCBr 477501 [0,1,0,0,0,0|1,0,2]=4 41 B10R0.4 O=C(O)CCCCCCCBr BR1099 [0,1,0,0,0,0|1,0,2]=4 42 B10R0.71 C=CCCCCCCCCBr 003439 [0,1,0,0,0,0|1,0,2]=4 43 B10R0.71 C=CCCCCCCCCI 105744 [0,1,0,0,0,0|1,0,2]=4 44 B10R0.71 C=CCCCCCCCCO 102610 [0,1,0,0,0,0|1,0,2]=4 45 B10R0.71 CCCCCCCCCC=O 223253 [0,1,0,0,0,0|0,0,2]=3 46 B10R0.71 CCCCCCCCN=C=O 104259 [0,1,0,0,0,0|0,0,3]=4 47 B10R0.71 CCCCCCCCOC=O 102669 [0,1,0,0,0,0|0,0,2]=3 48 B10R0.71 CCCCCCC\C=C\C=O 319883 [0,1,0,0,0,0|0,0,3]=4 49 B10R1.78 O=C1CCCCCCCN1 098992 [0,0,0,1,0,0|1,0,2]=4 50 B7R0.1 C#CCCCCCC 162800 [2,0,0,0,0,0|1,0,1]=4 51 B7R0.1 C=CCCCCC=C 099644 [2,0,0,0,0,0|1,0,0]=3 52 B7R0.1 C=CCCCCCBr 043892 [2,0,0,0,0,0|1,0,1]=4 53 B7R0.1 C=CCCCCCC 200048 [2,0,0,0,0,0|1,0,0]=3 54 B7R0.1 C=CCCCCCI 103485 [2,0,0,0,0,0|1,0,1]=4 55 B7R0.1 C=CCCCCNC 036092 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.1 CCCCCCC#N 001020 [2,0,0,0,0,0|1,0,1]=4 57 B7R0.1 CCCCCCC=O 520883 [2,0,0,0,0,0|0,0,0]=2 58 B7R0.1 CCCCCCCBr BR1073 [2,0,0,0,0,0|1,0,1]=4 59 B7R0.1 CCCCCCCC 162200 [2,0,0,0,0,0|0,0,2]=4 60 B7R0.1 CCCCCCCCl 106679 [2,0,0,0,0,0|1,0,1]=4 61 B7R0.1 CCCCCCCF 003481 [2,0,0,0,0,0|1,0,1]=4 62 B7R0.1 CCCCCCCI 243077 [2,0,0,0,0,0|1,0,1]=4 63 B7R0.1 CCCCCCCN 099080 [2,0,0,0,0,0|1,0,1]=4 64 B7R0.1 CCCCCCCO 101569 [2,0,0,0,0,0|0,0,2]=4 65 B7R0.1 CCCCCCNC 402340 [2,0,0,0,0,0|2,0,0]=4 66 B7R0.1 CCCCNCCC 099392 [2,0,0,0,0,0|1,0,1]=4 67 B7R0.1 CCCC\C=C\C=O 240980 [2,0,0,0,0,0|0,0,2]=4 68 B7R0.1 CC\C=C\C=C\C=O 242611 [2,0,0,0,0,0|0,0,2]=4 69 B9R0.2 CCCCCCCC(=O)Cl 099180 [1,1,0,0,0,0|0,0,1]=3 70 B9R0.2 CCCCCCCC(=O)O 094565 [1,1,0,0,0,0|0,0,1]=3 71 B9R0.2 CCCCCCCC(C)=O 349299 [1,1,0,0,0,0|0,0,1]=3 72 B9R0.2 CCCCCCOC(C)=O 102343 [1,1,0,0,0,0|1,0,1]=4 73 B9R0.2 CC\C=C/CCOC(C)=O 102346 [1,1,0,0,0,0|1,0,0]=3 74 B9R0.2 NCCCCCCC(=O)O 078953 [1,1,0,0,0,0|1,0,1]=4 75 B9R0.2 O=C(O)CCCCCCBr 236587 [1,1,0,0,0,0|1,0,1]=4 76 B9R0.5 C=CCCCC(=O)OCC 200032 [1,1,0,0,0,0|1,0,1]=4 77 B9R0.5 CCCCCC(=O)OCC 103045 [1,1,0,0,0,0|1,0,1]=4 78 B9R0.5 CCOC(=O)CCCCBr 078683 [1,1,0,0,0,0|2,0,0]=4 79 B9R0.5 CCOC(=O)CCCCI 103069 [1,1,0,0,0,0|2,0,0]=4 80 B11R0.155 CC\C=C(/C)C(O)CCCCC 240778 [0,2,0,0,0,0|1,0,1]=4 81 B11R0.176 CCOC(=O)CCCCC(=O)O 013394 [0,2,0,0,0,0|1,0,0]=3 82 B11R0.40 CCCCCCCCC(C)C=O 102661 [0,2,0,0,0,0|0,0,2]=4 83 B11R0.46 CCCCCC(O)CCC(N)=O 104651 [0,2,0,0,0,0|0,0,2]=4 84 B11R0.148 CCCCCCCCCC(=O)Cl 099542 [0,2,0,0,0,0|0,0,2]=4 85 B11R0.148 CCCCCCCCCC(=O)O 102961 [0,2,0,0,0,0|0,0,2]=4 86 B11R0.148 CCCCCCCCCC(C)=O 106727 [0,2,0,0,0,0|0,0,2]=4 87 B11R0.148 CCCCCCCCCC(N)=O 180363 [0,2,0,0,0,0|0,0,2]=4 88 B11R0.148 O=C(O)CCCCCCCCBr 036989 [0,2,0,0,0,0|0,0,2]=4 89 B11R0.3 CCCCCCCC\C=C\C=O 104010 [0,2,0,0,0,0|0,0,2]=4 90 B11R0.3 C\C=C\CCCCCCCC=O 104614 [0,2,0,0,0,0|0,0,2]=4 91 B9R1.8 CCOC1=NCCCC1 044390 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.8 NCCC1=CCCCC1 233674 [1,0,0,1,0,0|1,0,1]=4 93 B9R1.8 O=CCC1CCOCC1 208751 [1,0,0,1,0,0|1,0,0]=3 94 B9R1.8 O=CNC1CCCCC1 099604 [1,0,0,1,0,0|1,0,1]=4 95 B9R1.50 O=C1CCCCCCC1 237170 [1,0,0,1,0,0|0,0,1]=3 96 B9R1.89 O=CN1CCCNCC1 307336 [1,0,0,1,0,0|2,0,0]=4 97 B11R1.180 CCCCCC1CCCC1=O 239571 [0,1,0,1,0,0|0,0,2]=4 98 B11R1.199 CCOC(=O)C1CCCC1=O 078870 [0,1,0,1,0,0|1,0,0]=3 99 B11R1.27 CCCCCC1CCC(=O)O1 517774 [0,1,0,1,0,0|0,0,2]=4 100 B11R1.91 NC(=O)CCC1CCCCC1 102611 [0,1,0,1,0,0|0,0,2]=4 101 B11R1.91 O=C(Cl)CCC1CCCCC1 356854 [0,1,0,1,0,0|0,0,2]=4 102 B11R1.91 O=C(O)CCC1CCCCC1 242639 [0,1,0,1,0,0|0,0,2]=4 103 B11R1.381 CCN1CCCC[C@H](N)C1=O 011371 [0,1,0,1,0,0|1,0,1]=4