0 B9R0.45 CCCCCCSCCO CSC011304839 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.45 CCCCSCCOCC CSC000053094 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.45 CCSCCCCSCC CSC000116838 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.45 CSCCCCCCSC CSC000036278 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.4 CCCCCCCSC CSC000033844 [1,0,0,0,0,0|1,0,1]=3 5 B8R0.4 CCCCCCSCC CSC000073868 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.4 CCCCCSCCO CSC011215970 [1,0,0,0,0,0|1,0,2]=4 7 B8R0.4 CCCCSCCCC CSC000025195 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.4 CSCCCCCCO CSC012179070 [1,0,0,0,0,0|1,0,2]=4 9 B8R0.4 CSCCCCCSC CSC009866234 [1,0,0,0,0,0|2,0,1]=4 10 B10R0.4 CC(=O)OCCCCCC=C CSC000037147 [0,1,0,0,0,0|1,0,2]=4 11 B10R0.4 CC(C)NCCCCCCN CSC011419979 [0,1,0,0,0,0|2,0,1]=4 12 B10R0.4 CCCCCCCNC(=O)C CSC009862821 [0,1,0,0,0,0|0,0,0]=1 13 B10R0.4 CCCCCCCNC(=O)N CSC009878357 [0,1,0,0,0,0|0,0,0]=1 14 B10R0.4 CCCCCCCOC(=O)C CSC000036323 [0,1,0,0,0,0|1,0,0]=2 15 B10R0.4 CCCCOCCOC(=O)C CSC000032999 [0,1,0,0,0,0|2,0,0]=3 16 B10R0.4 COCCOCCOC(=O)C CSC000062832 [0,1,0,0,0,0|3,0,0]=4 17 B10R0.71 CCCCCCCSCCO CSC011304838 [0,1,0,0,0,0|1,0,2]=4 18 B10R0.74 CCCCCCCC(=O)NN CSC000181853 [0,1,0,0,0,0|3,0,0]=4 19 B10R0.74 CCCCCCCC(=O)OC CSC011217195 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.5 CCN1CCCC1CSC CSC048120051 [0,0,0,1,0,0|2,0,1]=4 21 B10R1.5 CCNC1CCCC1CC CSC011467320 [0,0,0,1,0,0|1,0,1]=3 22 B10R1.17 CCCCN1CCNCC1 CSC011194250 [0,0,0,1,0,0|2,0,1]=4 23 B10R1.17 CCNCC1CCCCC1 CSC000201244 [0,0,0,1,0,0|1,0,1]=3 24 B10R1.19 CCN1CCSCCC1C CSC046211526 [0,0,0,1,0,0|2,0,1]=4 25 B10R1.20 CCC1CCCCN1CC CSC046242840 [0,0,0,1,0,0|1,0,1]=3 26 B10R1.85 CCNC1CCCCCC1 CSC000201170 [0,0,0,1,0,0|1,0,1]=3 27 B9R0.2 CCCCCCCC(=O)N CSC011216093 [1,1,0,0,0,0|0,0,0]=2 28 B9R0.2 CCCCCCOC(=O)C CSC000032130 [1,1,0,0,0,0|1,0,0]=3 29 B9R0.2 CCOCCCNC(=O)C CSC000161218 [1,1,0,0,0,0|1,0,0]=3 30 B9R0.46 CCCCCCC(=O)NN CSC011221127 [1,1,0,0,0,0|1,0,1]=4 31 B11R0.81 CCCCCCC(C)NCCO CSC011257444 [0,2,0,0,0,0|0,0,2]=4 32 B11R0.40 CCCCCCCCC(=O)NN CSC011203378 [0,2,0,0,0,0|1,0,0]=3 33 B11R0.40 CCCCCCCCC(=O)OC CSC011215467 [0,2,0,0,0,0|1,0,0]=3 34 B11R0.40 CCCCCCCOC(=O)CC CSC000054044 [0,2,0,0,0,0|1,0,0]=3 35 B11R0.148 CCCCCCCCCC(=O)N CSC011216713 [0,2,0,0,0,0|1,0,0]=3 36 B11R0.148 CCOCCOCCOC(=O)C CSC000032835 [0,2,0,0,0,0|2,0,0]=4 37 B11R0.159 CCCCCCCNS(=O)(=O)C CSC009866289 [0,2,0,0,0,0|1,0,0]=3 38 B11R1.16 CCNC(C)C1CCCCC1 CSC011339619 [0,1,0,1,0,0|1,0,1]=4 39 B11R1.24 NCCCN1CCNC(=O)C1 CSC000758309 [0,1,0,1,0,0|2,0,0]=4 40 B11R1.53 CC(=O)N1CCCCC1CN CSC011552701 [0,1,0,1,0,0|1,0,0]=3 41 B11R1.53 CCC1CCCCN1C(=O)N CSC000748989 [0,1,0,1,0,0|0,0,0]=2 42 B11R1.53 NC(=O)N1CCCCC1C=C CSC016125992 [0,1,0,1,0,0|0,0,2]=4 43 B11R1.57 CC(=O)NC1CCCC1C#N CSC011781809 [0,1,0,1,0,0|1,0,1]=4 44 B11R1.57 CC(=O)NC1CCCC1CN CSC011781717 [0,1,0,1,0,0|1,0,0]=3 45 B11R1.57 CCC1CCCC1NC(C)C CSC012885013 [0,1,0,1,0,0|1,0,1]=4 46 B11R1.57 CO[C@H]1COC[C@@H]1NC(=O)C [0,1,0,1,0,0|2,0,0]=4 47 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1O CSC013036222 [0,1,0,1,0,0|1,0,0]=3 48 B11R1.86 CC(=O)N[C@H]1CCCC[C@@H]1O CSC013036315 [0,1,0,1,0,0|1,0,0]=3 49 B11R1.86 CC(C)NC1CCCCC1C CSC000200233 [0,1,0,1,0,0|1,0,1]=4 50 B11R1.86 CC1CCCCC1CC(=O)N CSC000055404 [0,1,0,1,0,0|1,0,0]=3 51 B11R1.86 CC1CCCCC1NC(=O)N CSC000184843 [0,1,0,1,0,0|0,0,0]=2 52 B11R1.86 CC1CCCCN1CC(=O)C CSC000180633 [0,1,0,1,0,0|2,0,0]=4 53 B11R1.86 CC1CCCCN1CC(=O)N CSC000174848 [0,1,0,1,0,0|2,0,0]=4 54 B11R1.86 NC(=O)N[C@@H]1CCCC[C@H]1O CSC012282429 [0,1,0,1,0,0|1,0,0]=3 55 B11R1.86 NC(=O)N[C@H]1CCCC[C@@H]1O CSC012281937 [0,1,0,1,0,0|1,0,0]=3 56 B11R1.86 N[C@H]1CCCC[C@@H]1NC(=O)N [0,1,0,1,0,0|1,0,0]=3 57 B11R1.90 CC(=O)NCC1CCCC1O CSC012367623 [0,1,0,1,0,0|1,0,0]=3 58 B11R1.90 CC(C)NCC1CCCC1C CSC012375481 [0,1,0,1,0,0|1,0,1]=4 59 B11R1.90 CN1CCCC1CNC(=O)N CSC011528812 [0,1,0,1,0,0|1,0,0]=3 60 B11R1.91 CC(=O)NCC1=CCCCC1 CSC010505009 [0,1,0,1,0,0|0,0,2]=4 61 B11R1.91 CC(=O)NCC1CCCCC1 CSC000159420 [0,1,0,1,0,0|0,0,0]=2 62 B11R1.91 CC(=O)NCC1CCCNC1 CSC011207013 [0,1,0,1,0,0|1,0,0]=3 63 B11R1.91 CC(=O)NCC1CCNCC1 CSC011206997 [0,1,0,1,0,0|1,0,0]=3 64 B11R1.91 CC(=O)NN=C1CCCCC1 CSC015986442 [0,1,0,1,0,0|1,0,1]=4 65 B11R1.91 CC(=O)OCC1CCCCC1 CSC000000618 [0,1,0,1,0,0|1,0,0]=3 66 B11R1.91 CC(=O)OCC1CCCCO1 CSC000006128 [0,1,0,1,0,0|2,0,0]=4 67 B11R1.91 CC(C)NCC1CCCCC1 CSC000200239 [0,1,0,1,0,0|1,0,1]=4 68 B11R1.91 NC(=O)CCC1CCCCC1 CSC000162346 [0,1,0,1,0,0|1,0,0]=3 69 B11R1.91 NC(=O)CCC1CCNCC1 CSC000695769 [0,1,0,1,0,0|2,0,0]=4 70 B11R1.91 NC(=O)CSC1CCCCC1 CSC000149379 [0,1,0,1,0,0|2,0,0]=4 71 B11R1.91 NC(=O)NCC1CCCCO1 CSC011512277 [0,1,0,1,0,0|1,0,0]=3 72 B11R1.91 NC(=O)NCC1CCCSC1 CSC015335565 [0,1,0,1,0,0|1,0,0]=3 73 B11R1.91 NC(=O)NCC1CCSCC1 CSC011991091 [0,1,0,1,0,0|1,0,0]=3 74 B11R1.91 NC(=O)NN=C1CCCCC1 CSC000163842 [0,1,0,1,0,0|1,0,1]=4 75 B11R1.143 CC1CCSCCN1C(=O)N CSC016019756 [0,1,0,1,0,0|1,0,0]=3 76 B11R1.193 CNCC1CCCN1C(=O)C CSC012662834 [0,1,0,1,0,0|1,0,0]=3 77 B11R1.193 CSCC1CCCN1C(=O)N CSC015948896 [0,1,0,1,0,0|1,0,0]=3 78 B11R1.742 CC(=O)NC1CCCCCC1 CSC000161067 [0,1,0,1,0,0|0,0,0]=2 79 B11R1.742 CC(C)NC1CCCCCC1 CSC000200198 [0,1,0,1,0,0|1,0,1]=4 80 B11R1.742 NC(=O)CC1CCCCCC1 CSC012282423 [0,1,0,1,0,0|1,0,0]=3 81 B11R1.742 NC(=O)NC1CCCCCC1 CSC000238987 [0,1,0,1,0,0|0,0,0]=2 82 B11R1.5 CC1CCSCCN1CC=C CSC015540934 [0,1,0,1,0,0|2,0,0]=4 83 B11R1.17 CC1CCCCC1NCCF CSC012814110 [0,1,0,1,0,0|1,0,1]=4 84 B11R1.28 CCCCCN1CCNCC1 CSC011207891 [0,1,0,1,0,0|1,0,1]=4 85 B11R1.41 CCC1CCCCN1CCN CSC000755458 [0,1,0,1,0,0|1,0,1]=4 86 B11R1.41 CCN1CCCCC1CCO CSC000228433 [0,1,0,1,0,0|1,0,1]=4 87 B11R1.203 CCCCN1CCCNCC1 CSC011194251 [0,1,0,1,0,0|1,0,1]=4 88 B11R1.203 CCCNC1CCCCCC1 CSC000201645 [0,1,0,1,0,0|1,0,1]=4 89 B11R1.203 FCCNC1CCCCCC1 CSC012814174 [0,1,0,1,0,0|1,0,1]=4