0 B9R0.45 CCCCCCSCCO CSC011304839 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.45 CCCCSCCOCC CSC000053094 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.45 CCSCCCCSCC CSC000116838 [0,0,0,0,0,0|4,0,0]=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|2,0,0]=3 5 B8R0.4 CCCCCCSCC CSC000073868 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.4 CCCCCSCCO CSC011215970 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.4 CCCCSCCCC CSC000025195 [1,0,0,0,0,0|2,0,0]=3 8 B8R0.4 CCSCCOCCO CSC011409966 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.4 CSCCCCCCO CSC012179070 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.4 CSCCCCCSC CSC009866234 [1,0,0,0,0,0|3,0,0]=4 11 B10R0.4 CC(C)NCCCCCCN CSC011419979 [0,1,0,0,0,0|2,0,0]=3 12 B10R0.4 CCCCCCCNC(=O)N CSC009878357 [0,1,0,0,0,0|2,0,1]=4 13 B10R0.71 CCCCCCCSCCO CSC011304838 [0,1,0,0,0,0|2,0,0]=3 14 B10R0.71 CCCCSCCOCCO CSC011409991 [0,1,0,0,0,0|3,0,0]=4 15 B10R0.74 CCCCCCCC(=O)NN CSC000181853 [0,1,0,0,0,0|2,0,1]=4 16 B10R1.4 CC1CCCCN1CCO CSC011305533 [0,0,0,1,0,0|3,0,0]=4 17 B10R1.4 CC1CNCCN1CCN CSC015623185 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.4 CCCN1CCCCC1C CSC046166745 [0,0,0,1,0,0|3,0,0]=4 19 B10R1.4 C[C@@H]1CNCCN1CCN CSC046200627 [0,0,0,1,0,0|3,0,0]=4 20 B10R1.4 C[C@H]1CNCCN1CCN CSC046168186 [0,0,0,1,0,0|3,0,0]=4 21 B10R1.5 CCCN1CCCC1CC CSC047626652 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.5 CCNC1CCCC1CC CSC011467320 [0,0,0,1,0,0|3,0,0]=4 23 B10R1.5 NCC1CCCN1CC=C CSC011662265 [0,0,0,1,0,0|2,0,1]=4 24 B10R1.5 NCCN1CCCC1CN CSC010258945 [0,0,0,1,0,0|1,0,0]=2 25 B10R1.5 OCCN1CCCC1CO CSC011473972 [0,0,0,1,0,0|3,0,0]=4 26 B10R1.5 OCCN1CCC[C@@H]1CO CSC012446830 [0,0,0,1,0,0|3,0,0]=4 27 B10R1.17 CCCCN1CCCCC1 CSC000223645 [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|3,0,0]=4 30 B10R1.17 NCCCN1CCCCC1 CSC000204581 [0,0,0,1,0,0|2,0,0]=3 31 B10R1.17 NCCCN1CCNCC1 CSC011455964 [0,0,0,1,0,0|3,0,0]=4 32 B10R1.17 NCCCN1CCOCC1 CSC000210481 [0,0,0,1,0,0|3,0,0]=4 33 B10R1.17 OCCSC1CCCCC1 CSC011304845 [0,0,0,1,0,0|3,0,0]=4 34 B10R1.20 CCC1CCCCN1CC CSC046242840 [0,0,0,1,0,0|3,0,0]=4 35 B10R1.21 CCCCNC1CCCC1 CSC000200677 [0,0,0,1,0,0|3,0,0]=4 36 B10R1.29 CCCCN1CCCC1C CSC016237178 [0,0,0,1,0,0|3,0,0]=4 37 B10R1.29 CCCNC1CCCC1C CSC011467334 [0,0,0,1,0,0|3,0,0]=4 38 B10R1.85 CCCN1CCCCCC1 CSC000238004 [0,0,0,1,0,0|3,0,0]=4 39 B10R1.85 CCNC1CCCCCC1 CSC000201170 [0,0,0,1,0,0|3,0,0]=4 40 B10R1.85 NCCN1CCCOCC1 CSC000709817 [0,0,0,1,0,0|3,0,0]=4 41 B7R0.1 CCSCCSCC CSC000031094 [2,0,0,0,0,0|2,0,0]=4 42 B9R0.2 CCCCCCCC(=O)N CSC011216093 [1,1,0,0,0,0|0,0,1]=3 43 B9R0.18 CCCCN(C)CCCC CSC000020957 [1,1,0,0,0,0|2,0,0]=4 44 B9R0.18 CCCCN(C)CCCN CSC011191814 [1,1,0,0,0,0|1,0,0]=3 45 B9R0.18 CCCCS(=O)CCCC CSC000031468 [1,1,0,0,0,0|2,0,0]=4 46 B9R0.18 CN(CCCN)CCCN CSC000032369 [1,1,0,0,0,0|1,0,0]=3 47 B9R0.46 CCCCCCC(=O)NN CSC011221127 [1,1,0,0,0,0|1,0,1]=4 48 B9R0.46 CCCCSCC(O)CO CSC011995958 [1,1,0,0,0,0|2,0,0]=4 49 B11R0.81 CCCCCCC(C)NCCO CSC011257444 [0,2,0,0,0,0|2,0,0]=4 50 B11R0.40 CCCCCCCCC(=O)NN CSC011203378 [0,2,0,0,0,0|1,0,1]=4 51 B11R0.148 CCCCCCCCCC(=O)N CSC011216713 [0,2,0,0,0,0|1,0,0]=3 52 B11R0.3 CCCCCSCCOCCO CSC011997630 [0,2,0,0,0,0|2,0,0]=4 53 B11R0.3 CCCSCCCCSCCC CSC009990883 [0,2,0,0,0,0|2,0,0]=4 54 B11R0.3 OCCSCCCCSCCO CSC009999245 [0,2,0,0,0,0|2,0,0]=4 55 B9R1.8 NCCN1CCSCC1 CSC000755026 [1,0,0,1,0,0|2,0,0]=4 56 B11R1.4 NCCOCCN1CCCC1 CSC011651305 [0,1,0,1,0,0|2,0,0]=4 57 B11R1.16 CN(CCN)C1CCCCC1 CSC011200935 [0,1,0,1,0,0|2,0,0]=4 58 B11R1.86 CC1CCCCC1CC(=O)N CSC000055404 [0,1,0,1,0,0|1,0,1]=4 59 B11R1.86 N[C@H]1CCCC[C@@H]1NC(=O)N [0,1,0,1,0,0|1,0,1]=4 60 B11R1.91 NC(=O)CCC1CCCCC1 CSC000162346 [0,1,0,1,0,0|1,0,1]=4 61 B11R1.742 CC(N)CN1CCCCCC1 CSC000707713 [0,1,0,1,0,0|2,0,0]=4 62 B11R1.742 NC(=O)CC1CCCCCC1 CSC012282423 [0,1,0,1,0,0|1,0,1]=4 63 B11R1.17 CC1CCCCC1NCCF CSC012814110 [0,1,0,1,0,0|2,0,0]=4 64 B11R1.17 CC1CCCCN1CCCF CSC016198936 [0,1,0,1,0,0|2,0,0]=4 65 B11R1.17 CC1CCCCN1CCCN CSC000212276 [0,1,0,1,0,0|1,0,0]=3 66 B11R1.17 CC1CCCCN1CCCO CSC000213889 [0,1,0,1,0,0|2,0,0]=4 67 B11R1.17 CC1CNCCN1CCCN CSC015967503 [0,1,0,1,0,0|2,0,0]=4 68 B11R1.17 CSCCC1CCCCN1C CSC015239825 [0,1,0,1,0,0|2,0,0]=4 69 B11R1.28 CNCCCN1CCCCC1 CSC000232496 [0,1,0,1,0,0|2,0,0]=4 70 B11R1.28 CNCCNC1CCCCC1 CSC011419825 [0,1,0,1,0,0|2,0,0]=4 71 B11R1.28 NCCCNC1CCCCC1 CSC000211309 [0,1,0,1,0,0|1,0,0]=3 72 B11R1.28 OCCCCN1CCCCC1 CSC011305566 [0,1,0,1,0,0|2,0,0]=4 73 B11R1.41 CCC1CCCCN1CCN CSC000755458 [0,1,0,1,0,0|1,0,0]=3 74 B11R1.41 CCN1CCCCC1CCO CSC000228433 [0,1,0,1,0,0|2,0,0]=4 75 B11R1.109 COCC1CCCN1CCN CSC010278135 [0,1,0,1,0,0|2,0,0]=4 76 B11R1.203 CCCNC1CCCCCC1 CSC000201645 [0,1,0,1,0,0|2,0,0]=4 77 B11R1.203 FCCCN1CCCCCC1 CSC012895120 [0,1,0,1,0,0|2,0,0]=4 78 B11R1.203 FCCNC1CCCCCC1 CSC012814174 [0,1,0,1,0,0|2,0,0]=4 79 B11R1.203 NCCCN1CCCCCC1 CSC000181460 [0,1,0,1,0,0|1,0,0]=3 80 B11R1.203 NCCCN1CCCNCC1 CSC011455967 [0,1,0,1,0,0|2,0,0]=4 81 B11R1.203 OCCCN1CCCCCC1 CSC000212468 [0,1,0,1,0,0|2,0,0]=4 82 B11R1.1 CC1CCN(CC1)CCCN CSC000205138 [0,1,0,1,0,0|2,0,0]=4 83 B11R1.29 CN(CCCN)C1CCCC1 CSC011227406 [0,1,0,1,0,0|2,0,0]=4 84 B11R1.605 CC1CCCC(N1CCN)C CSC000749955 [0,1,0,1,0,0|2,0,0]=4