0 B9R0.4 CC(C)CC(=O)OCC=C CSC000006416 [0,1,0,0,0,0|0,0,1]=2 1 B9R0.4 CC(C)NC(=O)NCCN CSC011374587 [0,1,0,0,0,0|2,0,0]=3 2 B9R0.4 CCCCC(=O)OC(C)C CSC000169914 [0,1,0,0,0,0|2,0,0]=3 3 B9R0.4 CCCNC(=O)NC(C)C CSC000163085 [0,1,0,0,0,0|2,0,0]=3 4 B9R0.4 CCCOC(=O)CC(C)C CSC000170144 [0,1,0,0,0,0|0,0,0]=1 5 B9R0.4 CNCCC(=O)NC(C)C CSC011534604 [0,1,0,0,0,0|2,0,0]=3 6 B9R0.23 CNC(=O)C(=O)NC(C)C CSC016198499 [0,1,0,0,0,0|3,0,0]=4 7 B9R0.34 CCC(C)NC(=O)CNC CSC000225638 [0,1,0,0,0,0|3,0,0]=4 8 B9R0.34 CCC(C)NC(=O)COC CSC000157950 [0,1,0,0,0,0|3,0,0]=4 9 B9R0.34 CCCC(=O)OC(C)CC CSC000062825 [0,1,0,0,0,0|2,0,0]=3 10 B9R0.34 CCOC(=O)CC(C)CC CSC011218107 [0,1,0,0,0,0|0,0,0]=1 11 B9R0.44 CCOC(=O)CC(C)(C)C CSC000170348 [0,1,0,0,0,0|0,0,0]=1 12 B9R0.44 CCOC(=O)CC(C)(F)F CSC000070698 [0,1,0,0,0,0|1,0,0]=2 13 B9R0.44 CCOC(=O)CS(=O)(=O)C CSC011215758 [0,1,0,0,0,0|2,0,0]=3 14 B9R0.44 COCC(=O)NC(C)(C)C CSC000191696 [0,1,0,0,0,0|3,0,0]=4 15 B9R0.53 CC(C)CC(=O)NC(C)C CSC000157551 [0,1,0,0,0,0|1,0,0]=2 16 B9R0.53 CC(C)CC(=O)OC(C)C CSC000170143 [0,1,0,0,0,0|0,0,0]=1 17 B9R0.48 CCCC(=O)OCC(C)C CSC000005790 [0,0,0,0,0,1|1,0,0]=2 18 B9R0.48 CCNC(=O)NCC(=C)C CSC012183401 [0,0,0,0,0,1|1,0,2]=4 19 B9R0.48 CCOC(=O)CCC(=O)C CSC011212338 [0,0,0,0,0,1|1,0,1]=3 20 B9R0.48 CCOC(=O)CCC(C)C CSC011212201 [0,0,0,0,0,1|0,0,0]=1 21 B9R0.48 CNCC(=O)NCC(C)C CSC000168150 [0,0,0,0,0,1|2,0,0]=3 22 B6R0.1 CCCC(=O)NO CSC000190123 [2,0,0,0,0,0|2,0,0]=4 23 B8R0.34 CCS(=O)(=O)NC(C)C CSC000169491 [1,1,0,0,0,0|2,0,0]=4 24 B8R0.7 CCCCSCC(C)C CSC000018356 [1,1,0,0,0,0|1,0,1]=4 25 B8R0.28 CC(C)CSCC(C)C CSC000031121 [1,1,0,0,0,0|2,0,0]=4 26 B8R0.1 CCOC(=O)CCSC CSC000173045 [1,1,0,0,0,0|0,0,0]=2 27 B8R0.1 CCOC(=O)CSCC CSC000172126 [1,1,0,0,0,0|0,0,0]=2 28 B8R0.3 CCOC(=O)C(C)SC CSC000756453 [1,1,0,0,0,0|1,0,0]=3 29 B10R0.26 CCOC(=O)CN(C)C(C)C CSC000227145 [0,1,0,0,0,1|0,0,0]=2 30 B10R0.26 COCC(=O)NC(C)C(C)C CSC000208441 [0,1,0,0,0,1|2,0,0]=4 31 B10R0.57 CCC(C)C(=O)OCC(C)C CSC000026080 [0,1,0,0,0,1|1,0,0]=3 32 B10R0.57 CNC(=O)C(=O)NCC(C)C CSC015427634 [0,1,0,0,0,1|2,0,0]=4 33 B10R0.78 CCCNC(=O)NCC(C)C CSC000163605 [0,1,0,0,0,1|1,0,0]=3 34 B10R0.96 CC(C)CNC(=O)CC(C)C CSC000160783 [0,1,0,0,0,1|1,0,0]=3 35 B10R0.96 CC(C)OC(=O)CCC(=O)C CSC000031084 [0,1,0,0,0,1|1,0,1]=4 36 B10R0.108 CCOC(=O)CNC(=O)CN CSC011367924 [0,1,0,0,0,1|1,0,1]=4 37 B10R0.108 CCOC(=O)NCC(=O)OC CSC000161429 [0,1,0,0,0,1|1,0,1]=4 38 B10R0.109 CCCC(=O)NCC(C)(C)C CSC011466744 [0,1,0,0,0,1|1,0,0]=3 39 B10R0.109 CCOC(=O)CCC(C)(C)C CSC012130662 [0,1,0,0,0,1|0,0,0]=2 40 B10R0.109 CCOC(=O)CCC(C)(F)F CSC000054117 [0,1,0,0,0,1|1,0,0]=3 41 B10R0.109 CCOC(=O)CCC(F)(F)F CSC011215681 [0,1,0,0,0,1|2,0,0]=4 42 B10R0.109 CCOC(=O)CNS(=O)(=O)C CSC000238371 [0,1,0,0,0,1|2,0,0]=4 43 B10R0.6 CCCCCC(=O)OC(C)C CSC000170157 [0,2,0,0,0,0|2,0,0]=4 44 B10R0.6 CCCCOC(=O)CC(C)C CSC011212304 [0,2,0,0,0,0|0,0,0]=2 45 B10R0.6 COCCOC(=O)C=C(C)C CSC000024270 [0,2,0,0,0,0|0,0,2]=4 46 B10R0.18 CCCNC(=O)NC(C)CC CSC000163167 [0,2,0,0,0,0|2,0,0]=4 47 B10R0.28 CC(C)(C)NC(=O)NCCO CSC000217861 [0,2,0,0,0,0|2,0,0]=4 48 B10R0.28 CCCNC(=O)NC(C)(C)C CSC000163414 [0,2,0,0,0,0|2,0,0]=4 49 B10R0.100 CCOC(=O)C(C)S(=O)(=O)C CSC011435737 [0,2,0,0,0,0|2,0,0]=4 50 B10R0.2 CCCC(O)CC(=O)OCC CSC011216533 [0,2,0,0,0,0|1,0,0]=3 51 B10R0.34 CCOC(=O)CN(CC)CC CSC000224615 [0,2,0,0,0,0|1,0,0]=3 52 B10R1.66 CC(C)NCC1CCCO1 CSC000223896 [0,0,0,1,0,1|1,0,1]=4 53 B10R1.66 CC(C)SCC1CCCO1 CSC015450385 [0,0,0,1,0,1|1,0,1]=4 54 B10R1.113 CC(C)N1CCC=C(C1)F CSC046177040 [0,0,0,1,0,1|2,0,0]=4 55 B10R1.140 CCOC(=O)C1CC(=O)C1 CSC000094141 [0,0,0,1,0,1|1,0,1]=4 56 B10R1.140 CCOC(=O)C1CC(C1)C CSC009829402 [0,0,0,1,0,1|0,0,0]=2 57 B10R1.140 COCC(=O)N1CC(C1)C CSC015989043 [0,0,0,1,0,1|2,0,0]=4 58 B10R1.211 CC(C)CNC(=O)C1CC1 CSC000160776 [0,0,0,1,0,1|1,0,0]=3 59 B10R1.180 CCCNC(=O)NC1CC1 CSC000163581 [0,1,0,1,0,0|2,0,0]=4 60 B10R1.266 CC(C)NC(=O)[C@H]1CCN1 CSC046217760 [0,1,0,1,0,0|2,0,0]=4 61 B10R1.266 CN(C)CC(=O)N1CCC1 CSC016130100 [0,1,0,1,0,0|2,0,0]=4 62 B10R1.293 CCCNC(=O)C1CC1C CSC000161773 [0,1,0,1,0,0|1,0,0]=3 63 B10R1.134 CCC(C)NC(=O)C1CC1 CSC000157909 [0,1,0,1,0,0|2,0,0]=4 64 B10R1.137 CCNC(=O)NC1CCC1 CSC011910442 [0,1,0,1,0,0|2,0,0]=4 65 B10R1.137 CCOC(=O)CC1CCC1 CSC012001245 [0,1,0,1,0,0|0,0,0]=2 66 B10R1.149 CCN(C)C1CCNC1=O CSC047215055 [0,1,0,1,0,0|2,0,0]=4 67 B10R1.373 CC(C)(C)NC(=O)C1CC1 CSC000171328 [0,1,0,1,0,0|2,0,0]=4 68 B10R0.3 CCCC(=O)OCCC(C)C CSC000024463 [0,0,0,0,0,2|1,0,0]=3 69 B10R0.3 CCOC(=O)CCCC(=O)C CSC000032325 [0,0,0,0,0,2|1,0,1]=4 70 B10R0.3 CCOC(=O)CSCC(=O)C CSC000172134 [0,0,0,0,0,2|1,0,1]=4 71 B10R0.3 CNCC(=O)NCCC(C)C CSC000213094 [0,0,0,0,0,2|2,0,0]=4 72 B10R0.3 COCC(=O)NCCC(C)C CSC000159411 [0,0,0,0,0,2|2,0,0]=4