0 B8R0.28 CC(C)CSCC(C)C CSC000031121 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.1 CCC(=O)NCCC(C)C CSC000159400 [0,1,0,0,0,0|2,0,0]=3 2 B9R0.1 COC(=O)CCCC(=O)C CSC000015542 [0,1,0,0,0,0|1,0,1]=3 3 B9R0.1 COC(=O)CSCC(=O)C CSC000151549 [0,1,0,0,0,0|2,0,1]=4 4 B9R0.1 COC(=O)CSCC(C)C CSC000151547 [0,1,0,0,0,0|1,0,0]=2 5 B9R0.7 CC(C)CNC(=O)C(=O)N CSC000128069 [0,1,0,0,0,0|2,0,1]=4 6 B9R0.7 CC(C)CNC(=O)C(=O)O CSC011297155 [0,1,0,0,0,0|1,0,1]=3 7 B9R0.7 CN(C)C(=O)NCC(=O)O CSC011297511 [0,1,0,0,0,0|2,0,1]=4 8 B9R0.7 CN(CCC(=O)O)C(=O)C CSC011216537 [0,1,0,0,0,0|2,0,1]=4 9 B9R0.53 CC(CC(=O)O)NC(=O)C CSC000195607 [0,1,0,0,0,0|2,0,1]=4 10 B9R0.56 CC(C)CCNS(=O)(=O)C CSC000169638 [0,1,0,0,0,0|2,0,1]=4 11 B9R0.55 CC(=O)CCCOC(=O)C CSC000031019 [0,0,0,0,0,1|2,0,1]=4 12 B9R0.55 CC(C)OCCOC(=O)C CSC000006670 [0,0,0,0,0,1|2,0,0]=3 13 B9R0.55 CN(C)CCCNC(=O)C CSC000159965 [0,0,0,0,0,1|2,0,0]=3 14 B8R0.6 CCCSCC(=O)OC CSC000151543 [1,1,0,0,0,0|1,0,0]=3 15 B8R0.6 COC(=O)CCCSC CSC011216297 [1,1,0,0,0,0|1,0,0]=3 16 B8R0.7 CCCCSCC(=C)C CSC000026947 [1,1,0,0,0,0|2,0,0]=4 17 B8R0.7 CCCCSCC(C)C CSC000018356 [1,1,0,0,0,0|1,0,1]=4 18 B10R0.15 CC(=O)NCCSC(C)(C)C CSC016218394 [0,1,0,0,0,1|2,0,0]=4 19 B10R0.55 CCC(=O)NCCCN(C)C CSC000159970 [0,1,0,0,0,1|2,0,0]=4 20 B10R0.96 CC(C)CC(=O)NCC(=O)O CSC000194594 [0,1,0,0,0,1|0,0,1]=3 21 B10R0.96 CC(C)NC(=O)CCC(=O)O CSC000199435 [0,1,0,0,0,1|0,0,1]=3 22 B10R0.96 CC(C)OC(=O)CCC(=O)C CSC000031084 [0,1,0,0,0,1|1,0,1]=4 23 B10R0.98 CC(C)CCNC(=O)C(=O)N CSC000013945 [0,1,0,0,0,1|1,0,1]=4 24 B10R0.3 CC(C)CCNC(=O)CC#N CSC011223004 [0,2,0,0,0,0|2,0,0]=4 25 B10R0.3 CCCC(=O)OCCC(C)C CSC000024463 [0,2,0,0,0,0|2,0,0]=4 26 B10R0.3 CCOC(=O)CCCC(=O)C CSC000032325 [0,2,0,0,0,0|1,0,1]=4 27 B10R0.3 CNCC(=O)NCCC(C)C CSC000213094 [0,2,0,0,0,0|2,0,0]=4 28 B10R0.3 COCC(=O)NCCC(C)C CSC000159411 [0,2,0,0,0,0|1,0,0]=3 29 B10R0.3 COCC(=O)NCCN(C)C CSC000160002 [0,2,0,0,0,0|2,0,0]=4 30 B10R0.59 COC(=O)CCCC(=O)OC CSC000037473 [0,2,0,0,0,0|1,0,1]=4 31 B10R0.13 CC(C)C(=O)N(C)CC(=O)O CSC000194961 [0,2,0,0,0,0|1,0,1]=4 32 B10R1.113 CC(=O)N1CCCC(C1)N CSC011448215 [0,0,0,1,0,1|2,0,0]=4 33 B10R1.113 CC(=O)N1CCCC(C1)O CSC011196156 [0,0,0,1,0,1|2,0,0]=4 34 B10R1.113 CC(=O)N1CCC[C@@H](C1)O CSC012179998 [0,0,0,1,0,1|2,0,0]=4 35 B10R1.113 CC(=O)N1CCC[C@H](C1)N CSC012662833 [0,0,0,1,0,1|2,0,0]=4 36 B10R1.113 CC(=O)N1CCC[C@H](C1)O CSC009851125 [0,0,0,1,0,1|2,0,0]=4 37 B10R1.113 CC1CCCN(C1)C(=O)C CSC000158579 [0,0,0,1,0,1|1,0,0]=3 38 B10R1.113 CC1CN(CCO1)C(=O)C CSC000243026 [0,0,0,1,0,1|2,0,0]=4 39 B10R1.113 CC1CN(CCS1)C(=O)N CSC011840667 [0,0,0,1,0,1|2,0,0]=4 40 B10R1.113 C[C@H]1CN(CCO1)C(=O)C CSC047888309 [0,0,0,1,0,1|2,0,0]=4 41 B10R1.361 CC(C)C1CCN1C(=O)N CSC015424837 [0,0,0,1,0,1|1,0,0]=3 42 B10R1.13 CC1CCN(CC1)C(=O)C CSC000161169 [0,1,0,1,0,0|2,0,0]=4 43 B10R1.13 CC1CCN(CC1)C(=O)N CSC000238906 [0,1,0,1,0,0|2,0,0]=4 44 B10R1.14 CC1CCN(C1)C(=O)CN CSC011434122 [0,1,0,1,0,0|2,0,0]=4 45 B10R1.14 CNC(=O)C1COC(C1)C CSC013751935 [0,1,0,1,0,0|2,0,0]=4 46 B10R1.14 COC(=O)C1CCC(C1)C CSC010443940 [0,1,0,1,0,0|0,0,0]=2 47 B10R1.31 CCC1CCN(C1)C(=O)N CSC012710758 [0,1,0,1,0,0|2,0,0]=4 48 B10R1.150 CC1CC(C1)NC(=O)CN CSC012918362 [0,1,0,1,0,0|2,0,0]=4 49 B10R1.194 CC1CCN(C1C)C(=O)N CSC015945145 [0,1,0,1,0,0|2,0,0]=4 50 B10R1.58 CC1CN(CC1C)C(=O)N CSC012023705 [0,1,0,1,0,0|2,0,0]=4 51 B10R1.359 CC1(CCN(C1)C(=O)N)C CSC012477684 [0,1,0,1,0,0|2,0,0]=4 52 B10R1.359 NC(=O)C1CCC(C1)(F)F CSC014382252 [0,1,0,1,0,0|2,0,0]=4 53 B10R1.59 CC1CC(N(C1)C(=O)N)C CSC012178494 [0,1,0,1,0,0|2,0,0]=4 54 B10R0.97 CC(=O)NCCCCC(=O)O CSC011593336 [0,0,0,0,0,2|1,0,1]=4 55 B10R0.97 CC(C)OCCCNC(=O)C CSC000161839 [0,0,0,0,0,2|1,0,0]=3