0 B11R0.6 CC(C)CCOC(=O)CC(C)C CSC000024456 [0,0,0,0,0,0|1,0,1]=2 1 B10R0.3 CC(C)CCNC(=O)CC#N CSC011223004 [1,0,0,0,0,0|2,0,1]=4 2 B10R0.3 CCCC(=O)OCCC(C)C CSC000024463 [1,0,0,0,0,0|0,0,1]=2 3 B10R0.3 CNCC(=O)NCCC(C)C CSC000213094 [1,0,0,0,0,0|2,0,0]=3 4 B10R0.3 CNCC(=O)NCCN(C)C CSC011225625 [1,0,0,0,0,0|3,0,0]=4 5 B10R0.3 COCC(=O)NCCC(C)C CSC000159411 [1,0,0,0,0,0|2,0,0]=3 6 B10R0.3 COCC(=O)NCCN(C)C CSC000160002 [1,0,0,0,0,0|3,0,0]=4 7 B10R0.6 CCCCOC(=O)CC(C)C CSC011212304 [1,0,0,0,0,0|1,0,1]=3 8 B10R0.6 COCCOC(=O)C=C(C)C CSC000024270 [1,0,0,0,0,0|2,0,1]=4 9 B12R0.140 CC(C)CCNC(=O)CS(=O)(=O)C CSC017463931 [0,1,0,0,0,0|2,0,0]=3 10 B12R0.686 CC(C)CCCS(=O)C(C)C(=O)N CSC019888293 [0,1,0,0,0,0|3,0,0]=4 11 B10R0.96 CC(C)CNC(=O)CC(C)C CSC000160783 [0,0,0,0,1,0|2,0,1]=4 12 B10R0.98 CC(C)CCNC(=O)C(=O)N CSC000013945 [0,0,0,0,1,0|2,0,0]=3 13 B10R0.98 CC(C)CCNC(=O)C(C)C CSC000171972 [0,0,0,0,1,0|2,0,1]=4 14 B10R0.98 CC(C)CCOC(=O)C(C)C CSC000024460 [0,0,0,0,1,0|1,0,1]=3 15 B12R0.44 CC(C)CCNC(=O)CCC(=O)O CSC000199397 [0,0,0,0,0,1|2,0,0]=3 16 B12R0.44 CC(C)CCOC(=O)CCC(=O)C CSC000076651 [0,0,0,0,0,1|0,0,0]=1 17 B9R0.1 CCC(=O)NCCC(C)C CSC000159400 [2,0,0,0,0,0|1,0,0]=3 18 B9R0.5 CCCCNC(=O)CNC CSC000213093 [2,0,0,0,0,0|2,0,0]=4 19 B9R0.5 CCCCNC(=O)COC CSC000159063 [2,0,0,0,0,0|2,0,0]=4 20 B9R0.5 CCCCOC(=O)CCC CSC011212260 [2,0,0,0,0,0|0,0,1]=3 21 B9R0.4 CCCOC(=O)CC(C)C CSC000170144 [2,0,0,0,0,0|1,0,1]=4 22 B11R0.145 CCC(C)C(=O)OCCC(C)C CSC000026081 [1,1,0,0,0,0|0,0,1]=3 23 B11R0.147 CCCNC(=O)NCCC(C)C CSC000163490 [1,1,0,0,0,0|1,0,1]=4 24 B11R0.2 CCCCCOC(=O)CC(C)C CSC000054031 [1,1,0,0,0,0|1,0,1]=4 25 B13R0.51 CC(C)C(O)CNC(=O)CCC(=O)C CSC013496039 [0,1,0,0,0,1|1,0,0]=3 26 B13R0.51 CC(CNC(=O)CNC(=O)C)N(C)C CSC060108398 [0,1,0,0,0,1|2,0,0]=4 27 B13R0.208 CCC(O)CCNC(=O)CNC(=O)C CSC012844705 [0,1,0,0,0,1|2,0,0]=4 28 B13R0.208 CCN(C)CCNC(=O)CNC(=O)C CSC060284065 [0,1,0,0,0,1|2,0,0]=4 29 B13R0.349 CC(O)CCN(C)C(=O)CCC(=O)C CSC013512399 [0,1,0,0,0,1|2,0,0]=4 30 B13R0.349 CC(O)CCN(C)C(=O)CNC(=O)C CSC012742919 [0,1,0,0,0,1|2,0,0]=4 31 B13R0.351 CC(=O)CCC(=O)NCCC(C)(C)O CSC013657280 [0,1,0,0,0,1|1,0,0]=3 32 B13R0.351 CC(=O)NCC(=O)NCCC(C)(C)C CSC059550305 [0,1,0,0,0,1|1,0,0]=3 33 B13R0.351 CC(=O)NCC(=O)NCCC(C)(C)O CSC013655446 [0,1,0,0,0,1|1,0,0]=3 34 B13R0.351 CC(C)(C)CCCC(=O)NCC(=O)N CSC059887174 [0,1,0,0,0,1|2,0,0]=4 35 B13R0.351 CC(C)(C)CCCC(=O)NCC(=O)O CSC012904645 [0,1,0,0,0,1|2,0,0]=4 36 B13R0.444 CC(O)CCNC(=O)CN(C)C(=O)C CSC012080944 [0,1,0,0,0,1|2,0,0]=4 37 B13R0.444 CN(C)CCNC(=O)CN(C)C(=O)C CSC059282488 [0,1,0,0,0,1|2,0,0]=4 38 B13R0.493 CC(C)CCNC(=O)CNC(=O)CN CSC011359674 [0,1,0,0,0,1|1,0,0]=3 39 B13R0.493 CNC(=O)NCC(=O)NCCC(C)C CSC059703203 [0,1,0,0,0,1|1,0,0]=3 40 B13R0.493 CNC(=O)NCC(=O)NCCN(C)C CSC059253454 [0,1,0,0,0,1|2,0,0]=4 41 B13R0.615 CC(C)CC(C)CC(=O)NCC(=O)N CSC059494408 [0,1,0,0,0,1|2,0,0]=4 42 B13R0.615 CC(C)CC(C)CC(=O)NCC(=O)O CSC012904478 [0,1,0,0,0,1|2,0,0]=4 43 B13R0.615 CC(C)CC(C)NC(=O)CCC(=O)O CSC011309758 [0,1,0,0,0,1|2,0,0]=4 44 B13R0.615 CC(C)CC(C)NC(=O)CNC(=O)C CSC059676177 [0,1,0,0,0,1|1,0,0]=3 45 B13R0.615 CC(O)CC(C)NC(=O)CCC(=O)C CSC013297900 [0,1,0,0,0,1|2,0,0]=4 46 B13R0.615 C[C@@H](CN(C)C)NC(=O)CNC(=O)C CSC059590093 [0,1,0,0,0,1|2,0,0]=4 47 B13R0.1403 CC(C)CCNC(=O)C(C)NC(=O)C CSC000002911 [0,1,0,0,0,1|1,0,0]=3 48 B13R0.1403 CC(C)CCNC(=O)C(C)NC(=O)N CSC059958354 [0,1,0,0,0,1|2,0,0]=4 49 B13R0.1403 CC(NC(=O)C)C(=O)NCCN(C)C CSC059826706 [0,1,0,0,0,1|2,0,0]=4 50 B13R0.1426 CC(C)CCNC(=O)CCS(=O)(=O)C CSC060352158 [0,1,0,0,0,1|2,0,0]=4 51 B13R0.50 CC(C)OCCNC(=O)C(C)C(=O)O CSC013763930 [0,1,0,0,0,1|2,0,0]=4 52 B13R0.445 CC(C)CCCNC(=O)CS(=O)(=O)C CSC060446994 [0,1,0,0,0,1|2,0,0]=4 53 B13R0.82 CC(C)CC(C)NC(=O)CS(=O)(=O)C CSC060236308 [0,2,0,0,0,0|2,0,0]=4 54 B13R0.417 CC(C)CC(C)NC(=O)C(C)C(=O)O CSC013763223 [0,2,0,0,0,0|2,0,0]=4 55 B13R0.1987 CC(C)(C)CCNC(=O)CS(=O)(=O)C CSC060434605 [0,2,0,0,0,0|2,0,0]=4 56 B13R0.985 CCS(=O)(=O)CC(=O)NCCC(C)C CSC060587514 [0,2,0,0,0,0|2,0,0]=4 57 B13R0.985 CNS(=O)(=O)CC(=O)NCCC(C)C CSC060579656 [0,2,0,0,0,0|2,0,0]=4 58 B13R0.331 CCNC(=O)CC(=O)NCCC(C)C CSC059280152 [0,2,0,0,0,0|1,0,0]=3 59 B13R0.331 CCNC(=O)CC(=O)NCCC(C)O CSC060590489 [0,2,0,0,0,0|2,0,0]=4 60 B13R0.331 CCNC(=O)CC(=O)NCCN(C)C CSC060023763 [0,2,0,0,0,0|2,0,0]=4 61 B11R1.720 CC(C)CCNC(=O)C1CC1 CSC000159401 [1,0,0,1,0,0|1,0,1]=4 62 B13R1.129 CC1CCN(C1)C(=O)CNC(=O)C CSC015914221 [0,0,0,1,0,1|1,0,0]=3 63 B13R1.3427 CC1CCN(C1)C(=O)CS(=O)(=O)C CSC015259226 [0,1,0,1,0,0|2,0,0]=4 64 B13R1.3738 CC1CC1CNC(=O)CS(=O)(=O)C CSC016339094 [0,1,0,1,0,0|2,0,0]=4 65 B13R1.7195 CS(=O)(=O)CC(=O)NCCC1CC1 CSC017463034 [0,1,0,1,0,0|2,0,0]=4 66 B9R0.48 CCCC(=O)OCC(C)C CSC000005790 [1,0,0,0,1,0|0,0,1]=3 67 B9R0.48 CCOC(=O)CCC(C)C CSC011212201 [1,0,0,0,1,0|1,0,1]=4 68 B9R0.48 CNCC(=O)NCC(C)C CSC000168150 [1,0,0,0,1,0|2,0,0]=4 69 B9R0.47 CCCCNC(=O)C(=O)N CSC000124963 [1,0,0,0,1,0|2,0,0]=4 70 B9R0.47 CCCCOC(=O)C(C)C CSC011212254 [1,0,0,0,1,0|1,0,1]=4 71 B9R0.7 CC(C)CNC(=O)C(=O)N CSC000128069 [0,0,0,0,2,0|2,0,0]=4 72 B9R0.7 CC(C)CNC(=O)C(=O)O CSC011297155 [0,0,0,0,2,0|2,0,0]=4 73 B9R0.7 CC(C)COC(=O)C(C)C CSC000005786 [0,0,0,0,2,0|1,0,1]=4 74 B9R0.53 CC(C)CC(=O)OC(C)C CSC000170143 [0,0,0,0,2,0|1,0,1]=4 75 B11R0.46 CCCCNC(=O)CCC(=O)O CSC000199522 [1,0,0,0,0,1|2,0,0]=4 76 B11R0.46 CCCCNC(=O)NCC(=O)O CSC011205310 [1,0,0,0,0,1|2,0,0]=4 77 B11R0.46 CCCCOC(=O)CCC(=O)C CSC011212340 [1,0,0,0,0,1|0,0,0]=2 78 B13R0.182 CC(C)CCCNC(=O)CNC(=O)C CSC060008583 [0,0,0,0,0,2|1,0,0]=3 79 B13R0.182 CC(C)CCSCC(=O)NCC(=O)O CSC012904590 [0,0,0,0,0,2|1,1,0]=4 80 B13R0.182 CC(C)OCCCC(=O)NCC(=O)O CSC018966729 [0,0,0,0,0,2|2,0,0]=4 81 B13R0.182 CC(C)OCCNC(=O)NCC(=C)C CSC059778091 [0,0,0,0,0,2|2,0,0]=4 82 B13R0.182 CN(C)CCCNC(=O)CNC(=O)C CSC059829753 [0,0,0,0,0,2|2,0,0]=4 83 B13R0.1398 CC(C)CCNC(=O)CCNC(=O)N CSC059762253 [0,0,0,0,0,2|2,0,0]=4 84 B13R0.1398 CC(C)CCNC(=O)NCCC(=O)N CSC059285309 [0,0,0,0,0,2|2,0,0]=4 85 B13R0.1398 CC(C)CCNC(=O)NCCC(=O)O CSC011427812 [0,0,0,0,0,2|2,0,0]=4