0 B9R0.35 CCCC(C)C(=O)OCC CSC011217054 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.1 CCOC(=O)CCSC CSC000173045 [1,0,0,0,0,0|1,0,1]=3 2 B8R0.1 CCOC(=O)CSCC CSC000172126 [1,0,0,0,0,0|1,0,2]=4 3 B8R0.3 CCOC(=O)C(C)SC CSC000756453 [1,0,0,0,0,0|1,0,1]=3 4 B10R0.19 CCCOC(=O)C(C)CCC CSC011217736 [0,1,0,0,0,0|0,0,2]=3 5 B10R0.32 CCCC(C)C(=O)NC(C)C CSC000174269 [0,1,0,0,0,0|1,0,2]=4 6 B10R0.129 CCOC(=O)C(C)(C)CC=C CSC000082643 [0,1,0,0,0,0|0,0,0]=1 7 B10R1.11 CCNC(=O)C1CCNC1 CSC011790733 [0,0,0,1,0,0|2,0,1]=4 8 B10R1.11 CCNC(=O)C1CCOC1 CSC011558105 [0,0,0,1,0,0|2,0,1]=4 9 B10R1.11 CCNC(=O)[C@@H]1CCNC1 CSC018701730 [0,0,0,1,0,0|2,0,1]=4 10 B10R1.11 CCNC(=O)[C@H]1CCNC1 CSC015592258 [0,0,0,1,0,0|2,0,1]=4 11 B10R1.11 CCOC(=O)C1CC=CC1 CSC011934596 [0,0,0,1,0,0|0,0,0]=1 12 B10R1.11 CCOC(=O)C1CCCO1 CSC000171706 [0,0,0,1,0,0|1,0,2]=4 13 B10R1.11 CCOC(=O)C1CCSC1 CSC012019184 [0,0,0,1,0,0|1,0,1]=3 14 B10R1.11 CCOC(=O)c1ccco1 CSC000169938 [0,0,0,1,0,0|1,0,2]=4 15 B10R1.11 CCOC(=O)c1cccs1 CSC000170332 [0,0,0,1,0,0|1,0,2]=4 16 B10R1.11 CCOC(=O)c1nccs1 CSC011468584 [0,0,0,1,0,0|2,0,1]=4 17 B10R1.140 CCOC(=O)C1CC(=O)C1 CSC000094141 [0,0,0,1,0,0|1,0,0]=2 18 B10R1.140 CCOC(=O)C1CC(C1)C CSC009829402 [0,0,0,1,0,0|0,0,2]=3 19 B10R1.256 CCN1C(=O)CN(C1=O)C CSC000170416 [0,0,0,1,0,0|3,0,0]=4 20 B10R0.2 CCCC(O)CC(=O)OCC CSC011216533 [0,0,0,0,0,1|1,0,2]=4 21 B9R0.4 CC(C)CC(=O)OCC=C CSC000006416 [1,1,0,0,0,0|2,0,0]=4 22 B9R0.4 CCCCC(=O)OC(C)C CSC000169914 [1,1,0,0,0,0|0,0,2]=4 23 B9R0.5 CCCCCC(=O)OCC CSC000170156 [1,1,0,0,0,0|0,0,2]=4 24 B9R0.5 CCOC(=O)CCCC#N CSC009871613 [1,1,0,0,0,0|0,0,2]=4 25 B9R0.5 CCOC(=O)CSCC#N CSC000172129 [1,1,0,0,0,0|1,0,1]=4 26 B9R0.18 CCCCC(=O)OCCC CSC000169915 [1,1,0,0,0,0|0,0,2]=4 27 B9R0.18 CCCNC(=O)NCC=C CSC000178634 [1,1,0,0,0,0|2,0,0]=4 28 B9R0.34 CCOC(=O)CC(C)CC CSC011218107 [1,1,0,0,0,0|0,0,2]=4 29 B9R0.48 CCNC(=O)NCC(=C)C CSC012183401 [1,1,0,0,0,0|2,0,0]=4 30 B9R0.48 CCOC(=O)CCC(=O)C CSC011212338 [1,1,0,0,0,0|0,0,1]=3 31 B9R0.48 CCOC(=O)CCC(C)C CSC011212201 [1,1,0,0,0,0|0,0,2]=4 32 B9R0.12 CCCC(OC)C(=O)OC CSC048932557 [1,1,0,0,0,0|0,0,2]=4 33 B9R0.19 CCOC(=O)C(C)(C)C#N CSC011216776 [1,1,0,0,0,0|1,0,1]=4 34 B9R0.19 CCOC(=O)C(C)(C)C=C CSC012186761 [1,1,0,0,0,0|0,0,0]=2 35 B9R0.19 CCOC(=O)C(C)(C)CO CSC011765865 [1,1,0,0,0,0|1,0,0]=3 36 B9R0.19 CCOC(=O)C(C)(C)SC CSC000036217 [1,1,0,0,0,0|1,0,1]=4 37 B9R0.23 COC(=O)[C@@H](C)NC(=O)C CSC011995889 [1,1,0,0,0,0|1,0,1]=4 38 B9R0.23 COC(=O)[C@H](C)NC(=O)C CSC011418566 [1,1,0,0,0,0|1,0,1]=4 39 B9R0.60 COC(=O)C(C)(C)CC=C CSC010261411 [1,1,0,0,0,0|0,0,0]=2 40 B11R0.191 CCCCC(CC)C(=O)OCC CSC011302611 [0,2,0,0,0,0|0,0,2]=4 41 B11R1.199 CCOC(=O)c1cc[nH]c1C CSC000074837 [0,0,0,1,0,1|1,0,1]=4 42 B11R1.199 CCOC(=O)c1cccn1C CSC000170828 [0,0,0,1,0,1|1,0,1]=4 43 B11R1.199 CCOC(=O)c1ccnn1C CSC011581699 [0,0,0,1,0,1|2,0,0]=4 44 B11R1.199 CCOC(=O)c1ccoc1C CSC011212792 [0,0,0,1,0,1|1,0,1]=4 45 B11R1.199 CCOC(=O)c1ccsc1C CSC012181354 [0,0,0,1,0,1|1,0,1]=4 46 B11R1.15 CCOC(=O)C1CNC(=O)C1 CSC011840728 [0,1,0,1,0,0|1,0,0]=3 47 B11R1.16 CCOC(=O)C1CCC=CC1 CSC011212228 [0,1,0,1,0,0|0,0,0]=2 48 B11R1.16 CCOC(=O)C1CCC=CO1 CSC000082644 [0,1,0,1,0,0|1,0,0]=3 49 B11R1.819 CCOC(=O)C1(CCCC1)O CSC011290502 [0,1,0,1,0,0|0,0,2]=4