0 B9R0.45 CCCCSCCOCC CSC000053094 [0,0,0,0,0,0|1,1,0]=2 1 B9R0.45 CCSCCCCSCC CSC000116838 [0,0,0,0,0,0|3,1,0]=4 2 B9R0.45 CSCCCCCCSC CSC000036278 [0,0,0,0,0,0|3,1,0]=4 3 B8R0.4 CCCCCCCSC CSC000033844 [1,0,0,0,0,0|1,1,0]=3 4 B8R0.4 CCCCCCSCC CSC000073868 [1,0,0,0,0,0|1,1,0]=3 5 B8R0.4 CCCCCSCCO CSC011215970 [1,0,0,0,0,0|1,1,0]=3 6 B8R0.4 CCCCSCCCC CSC000025195 [1,0,0,0,0,0|1,1,0]=3 7 B8R0.4 CCSCCOCCO CSC011409966 [1,0,0,0,0,0|0,1,0]=2 8 B8R0.4 CSCCCCCCO CSC012179070 [1,0,0,0,0,0|2,1,0]=4 9 B8R0.4 CSCCCCCSC CSC009866234 [1,0,0,0,0,0|1,2,0]=4 10 B10R0.1 CCCCCCC(=O)OCC CSC011219609 [0,1,0,0,0,0|2,0,1]=4 11 B10R0.1 CCCCCNC(=O)COC CSC000157996 [0,1,0,0,0,0|2,0,1]=4 12 B10R0.1 CCCCCOC(=O)CCC CSC000039025 [0,1,0,0,0,0|2,0,1]=4 13 B10R0.4 CCCCCCCOC(=O)C CSC000036323 [0,1,0,0,0,0|2,0,1]=4 14 B10R0.4 CCCCOCCOC(=O)C CSC000032999 [0,1,0,0,0,0|1,0,1]=3 15 B10R0.4 COCCOCCOC(=O)C CSC000062832 [0,1,0,0,0,0|0,0,1]=2 16 B10R0.71 CCCCCCCSCCO CSC011304838 [0,1,0,0,0,0|2,1,0]=4 17 B10R0.71 CCCCSCCOCCO CSC011409991 [0,1,0,0,0,0|1,1,0]=3 18 B10R0.74 CCCCCCCC(=O)OC CSC011217195 [0,1,0,0,0,0|2,0,1]=4 19 B10R0.74 CCOCCSCC(=O)OC CSC000001124 [0,1,0,0,0,0|0,1,1]=3 20 B10R1.5 CCN1CCCC1CSC CSC048120051 [0,0,0,1,0,0|2,1,0]=4 21 B10R1.5 CCNC1CCCC1CC CSC011467320 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.17 CCCCN1CCCCC1 CSC000223645 [0,0,0,1,0,0|3,0,0]=4 23 B10R1.17 CCCCN1CCNCC1 CSC011194250 [0,0,0,1,0,0|3,0,0]=4 24 B10R1.17 CCCCN1CCOCC1 CSC000224583 [0,0,0,1,0,0|2,0,0]=3 25 B10R1.17 CCCCN1CCSCC1 CSC015913980 [0,0,0,1,0,0|2,1,0]=4 26 B10R1.17 CCCNC1CCOCC1 CSC000714517 [0,0,0,1,0,0|3,0,0]=4 27 B10R1.17 CCCSC1CCCOC1 CSC015250190 [0,0,0,1,0,0|3,0,0]=4 28 B10R1.17 CCNCC1CCCCC1 CSC000201244 [0,0,0,1,0,0|3,0,0]=4 29 B10R1.17 CCSCC1CCCCO1 CSC015326925 [0,0,0,1,0,0|1,1,0]=3 30 B10R1.17 COCCN1CCNCC1 CSC000235850 [0,0,0,1,0,0|2,0,0]=3 31 B10R1.17 COCCN1CCOCC1 CSC000234383 [0,0,0,1,0,0|1,0,0]=2 32 B10R1.17 CSCCN1CCCCC1 CSC000209123 [0,0,0,1,0,0|2,1,0]=4 33 B10R1.17 NCCCN1CCOCC1 CSC000210481 [0,0,0,1,0,0|3,0,0]=4 34 B10R1.19 CCN1CCSCCC1C CSC046211526 [0,0,0,1,0,0|2,1,0]=4 35 B10R1.20 CCC1CCCCN1CC CSC046242840 [0,0,0,1,0,0|3,0,0]=4 36 B10R1.21 CCCCNC1CCCC1 CSC000200677 [0,0,0,1,0,0|3,0,0]=4 37 B10R1.29 CCCCN1CCCC1C CSC016237178 [0,0,0,1,0,0|3,0,0]=4 38 B10R1.29 CCCSC1CCOC1C CSC015237125 [0,0,0,1,0,0|3,0,0]=4 39 B10R1.29 CSCCN1CCCC1C CSC046123987 [0,0,0,1,0,0|2,1,0]=4 40 B10R1.85 CCNC1CCCCCC1 CSC000201170 [0,0,0,1,0,0|3,0,0]=4 41 B7R0.1 CCSCCSCC CSC000031094 [2,0,0,0,0,0|0,2,0]=4 42 B9R0.2 CCCCCCOC(=O)C CSC000032130 [1,1,0,0,0,0|1,0,1]=4 43 B9R0.2 CCOCCCNC(=O)C CSC000161218 [1,1,0,0,0,0|2,0,0]=4 44 B9R0.5 CCCCCC(=O)OCC CSC000170156 [1,1,0,0,0,0|1,0,1]=4 45 B9R0.5 CCCCNC(=O)COC CSC000159063 [1,1,0,0,0,0|1,0,1]=4 46 B9R0.5 CCCCOC(=O)CCC CSC011212260 [1,1,0,0,0,0|1,0,1]=4 47 B9R0.5 COCCNC(=O)COC CSC000157859 [1,1,0,0,0,0|1,0,1]=4 48 B9R0.5 COCCNC(C)COC CSC000743196 [1,1,0,0,0,0|1,0,0]=3 49 B9R0.18 CCCCC(=O)OCCC CSC000169915 [1,1,0,0,0,0|1,0,1]=4 50 B9R0.18 CCCCN(C)CCCC CSC000020957 [1,1,0,0,0,0|2,0,0]=4 51 B9R0.18 CCCCS(=O)CCCC CSC000031468 [1,1,0,0,0,0|1,1,0]=4 52 B9R0.46 CCC(=O)NCCCOC CSC000159236 [1,1,0,0,0,0|2,0,0]=4 53 B9R0.46 CCCCCCC(=O)OC CSC011215249 [1,1,0,0,0,0|1,0,1]=4 54 B9R0.46 CCCCCOC(=O)CC CSC000031694 [1,1,0,0,0,0|1,0,1]=4 55 B11R0.4 CCCCSCCC(=O)OCC CSC011325042 [0,2,0,0,0,0|1,1,0]=4 56 B11R0.4 CCOCCCNC(=O)COC CSC000161240 [0,2,0,0,0,0|1,0,1]=4 57 B11R0.5 CCOC(=O)CN(C)CCOC CSC011408476 [0,2,0,0,0,0|1,0,1]=4 58 B11R0.81 CCCCCOC(=O)CCCC CSC000033676 [0,2,0,0,0,0|2,0,0]=4 59 B11R0.40 CCCCCCCCC(=O)OC CSC011215467 [0,2,0,0,0,0|2,0,0]=4 60 B11R0.40 CCCCCCCOC(=O)CC CSC000054044 [0,2,0,0,0,0|2,0,0]=4 61 B11R0.148 CCOCCOCCOC(=O)C CSC000032835 [0,2,0,0,0,0|0,0,0]=2 62 B11R0.3 CCCCCSCCOCCO CSC011997630 [0,2,0,0,0,0|1,1,0]=4 63 B11R0.140 CCCCCC(=O)OCCCC CSC011212308 [0,2,0,0,0,0|2,0,0]=4 64 B9R1.12 OCCNC1CCSC1 CSC000200495 [1,0,0,1,0,0|1,1,0]=4 65 B11R1.4 NCCOCCN1CCCC1 CSC011651305 [0,1,0,1,0,0|2,0,0]=4 66 B11R1.16 CCCC(C)N1CCOCC1 CSC012592584 [0,1,0,1,0,0|2,0,0]=4 67 B11R1.16 COCC(=O)N1CCOCC1 CSC000158680 [0,1,0,1,0,0|1,0,1]=4 68 B11R1.24 CCCCN1CCOC(C1)C CSC015426280 [0,1,0,1,0,0|2,0,0]=4 69 B11R1.24 CCCCN1CCO[C@H](C1)C CSC015827533 [0,1,0,1,0,0|2,0,0]=4 70 B11R1.24 COCCN1CCCC(C1)C CSC046097459 [0,1,0,1,0,0|2,0,0]=4 71 B11R1.189 CCCC1CN(CCO1)CC CSC015951768 [0,1,0,1,0,0|2,0,0]=4 72 B11R1.230 COCCN1CC(CC1C)C CSC048004524 [0,1,0,1,0,0|2,0,0]=4 73 B11R1.57 CO[C@H]1COC[C@@H]1NC(=O)C [0,1,0,1,0,0|1,0,1]=4 74 B11R1.91 CC(=O)OCC1CCCCO1 CSC000006128 [0,1,0,1,0,0|1,0,1]=4 75 B11R1.91 CC(C)CCN1CCOCC1 CSC000224585 [0,1,0,1,0,0|2,0,0]=4 76 B11R1.91 CC(C)SCC1CCCCO1 CSC015890546 [0,1,0,1,0,0|1,1,0]=4 77 B11R1.17 CCCCN1CCOC[C@@H]1C CSC046332471 [0,1,0,1,0,0|2,0,0]=4 78 B11R1.17 CCCCN1CCOC[C@H]1C CSC015850260 [0,1,0,1,0,0|2,0,0]=4 79 B11R1.17 COCCN1CCCCC1C CSC046181585 [0,1,0,1,0,0|2,0,0]=4 80 B11R1.28 CNCCCN1CCOCC1 CSC000224819 [0,1,0,1,0,0|2,0,0]=4 81 B11R1.28 COCCCN1CCNCC1 CSC011216515 [0,1,0,1,0,0|2,0,0]=4 82 B11R1.28 CSCCCN1CCOCC1 CSC011665022 [0,1,0,1,0,0|1,1,0]=4 83 B11R1.28 OCCCCN1CCOCC1 CSC000723369 [0,1,0,1,0,0|2,0,0]=4 84 B11R1.41 CCCN1CCOCC1CC CSC047969828 [0,1,0,1,0,0|2,0,0]=4 85 B11R1.109 COCC1CCCN1CCN CSC010278135 [0,1,0,1,0,0|2,0,0]=4 86 B11R1.109 COCC1CCCN1CCO CSC021656350 [0,1,0,1,0,0|2,0,0]=4 87 B11R1.203 COCCN1CCCCCC1 CSC000234625 [0,1,0,1,0,0|2,0,0]=4 88 B11R1.203 COCCN1CCCCCC1 CSC000234625 [0,1,0,1,0,0|2,0,0]=4 89 B11R1.203 COCCN1CCCNCC1 CSC000740549 [0,1,0,1,0,0|2,0,0]=4 90 B11R1.1 COCCN1CCC(CC1)C CSC046157836 [0,1,0,1,0,0|2,0,0]=4 91 B11R1.1 COCCN1CCC(CC1)O CSC000234467 [0,1,0,1,0,0|2,0,0]=4 92 B11R1.40 CCC(C)CN1CCOCC1 CSC012721623 [0,1,0,1,0,0|2,0,0]=4 93 B11R1.40 CCC(O)CN1CCOCC1 CSC011366110 [0,1,0,1,0,0|2,0,0]=4 94 B11R1.40 COC(=O)CC1CCOCC1 CSC012001292 [0,1,0,1,0,0|1,0,1]=4 95 B11R1.40 COC(=O)CN1CCOCC1 CSC000188174 [0,1,0,1,0,0|1,0,1]=4 96 B11R1.54 CCN1CCOCC1(C)CC CSC047929547 [0,1,0,1,0,0|2,0,0]=4 97 B11R1.212 COCCN1CCC(C1C)C CSC046137928 [0,1,0,1,0,0|2,0,0]=4 98 B11R1.37 CCC1COC(CN1CC)C CSC015273639 [0,1,0,1,0,0|2,0,0]=4 99 B11R1.465 COCCN1C(CCC1C)C CSC047341226 [0,1,0,1,0,0|2,0,0]=4