0 B8R0.5 CCOC(=O)C[C@@H](C)O CS-D1461 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.2 CC(C)OC(=O)CO CS-0154171 [1,0,0,0,0,0|2,0,0]=3 2 B7R0.2 COC(=O)CC(C)=O CS-0017265 [1,0,0,0,0,0|1,0,1]=3 3 B7R0.2 COC(=O)C[C@H](C)Br CS-0910358 [1,0,0,0,0,0|1,0,0]=2 4 B7R0.7 CCOC(=O)\C=C/I CS-0151925 [1,0,0,0,0,0|1,0,2]=4 5 B7R0.7 CCOC(=O)\C=C\F CS-0890432 [1,0,0,0,0,0|1,0,2]=4 6 B9R0.6 C=C(C(=O)OCC)C(C)C CS-0438303 [0,1,0,0,0,0|0,0,1]=2 7 B9R0.6 CCOC(=O)\C(C)=C(\C)N CS-0667151 [0,1,0,0,0,0|1,0,2]=4 8 B9R0.34 CCOC(=O)CC(=O)CO CS-0093884 [0,1,0,0,0,0|1,0,1]=3 9 B9R0.34 CCOC(=O)CC(O)CCl CS-0187412 [0,1,0,0,0,0|1,0,0]=2 10 B9R0.34 CCOC(=O)\C=C(/C)CO CS-0106213 [0,1,0,0,0,0|0,0,2]=3 11 B9R1.38 CC1(C)NC(=O)CC1O CS-0182880 [0,0,0,1,0,0|3,0,0]=4 12 B9R1.48 O=C1CC(O)CCCN1 CS-0568375 [0,0,0,1,0,0|2,0,0]=3 13 B9R1.66 CC1(C)CNCC(=O)N1 CS-0185258 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.183 CCOC(=O)C1CC1C CS-0242636 [0,0,0,1,0,0|0,0,0]=1 15 B7R0.5 COCC(=O)C(C)C CS-0310664 [0,0,0,0,1,0|2,0,0]=3 16 B6R0.1 CCC(=O)CC#N CS-0084645 [2,0,0,0,0,0|1,0,1]=4 17 B6R0.1 CCC(=O)CSC CS-0434652 [2,0,0,0,0,0|1,0,0]=3 18 B6R0.1 COC(=O)CSC CS-W013574 [2,0,0,0,0,0|1,0,0]=3 19 B6R0.2 CC(C)C[N+](=O)[O-] CS-0252339 [2,0,0,0,0,0|1,0,1]=4 20 B6R0.2 O=C(O)CC(F)F CS-0054587 [2,0,0,0,0,0|2,0,0]=4 21 B6R0.4 CC(C)CCCN CS-0252871 [2,0,0,0,0,0|1,0,1]=4 22 B8R0.1 CCC#CC(=O)OCC CS-0049392 [1,1,0,0,0,0|0,0,1]=3 23 B8R0.1 CCOC(=O)C#CCBr CS-0964527 [1,1,0,0,0,0|0,0,2]=4 24 B8R0.1 CCOC(=O)CCCO CS-0539430 [1,1,0,0,0,0|0,0,0]=2 25 B8R0.1 CCOC(=O)CCSC CS-W010980 [1,1,0,0,0,0|0,0,0]=2 26 B8R0.3 CCOC(=O)C(O)CCl CS-0811151 [1,1,0,0,0,0|1,0,0]=3 27 B8R0.30 CCCS(=O)(=O)OCC CS-1053391 [1,1,0,0,0,0|1,0,0]=3 28 B10R0.32 CCOC(=O)C(O)NC(C)=O CS-0145253 [0,1,0,0,0,1|1,0,1]=4 29 B10R0.108 CCCC(=O)OCC(O)CO CS-0331773 [0,1,0,0,0,1|2,0,0]=4 30 B10R0.109 CCOC(=O)C#C[Si](C)(C)C CS-W017687 [0,1,0,0,0,1|0,1,1]=4 31 B10R0.6 COCCOC(=O)CC(C)=O CS-W016168 [0,2,0,0,0,0|1,0,1]=4 32 B10R0.28 CC(C)(C)OC(=O)CCCI CS-0651966 [0,2,0,0,0,0|2,0,0]=4 33 B10R0.7 CCOC(=O)CC(C)(C)CN CS-B0952 [0,2,0,0,0,0|0,0,0]=2 34 B10R0.31 C[C@H](N)CC(=O)OC(C)(C)C CS-0040754 [0,2,0,0,0,0|1,0,0]=3 35 B8R1.4 CC1CCNC(=O)C1 CS-0052341 [1,0,0,1,0,0|1,0,0]=3 36 B8R1.4 C[C@@H]1CCC[C@H](N)C1 CS-0309584 [1,0,0,1,0,0|1,0,1]=4 37 B8R1.18 CC1CC(=O)C(C)O1 CS-0784607 [1,0,0,1,0,0|1,0,0]=3 38 B8R1.51 CC1(C)CC(=O)NO1 CS-0067871 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.7 CC(N)C1CCOC1 CS-0486993 [1,0,0,1,0,0|1,0,1]=4 40 B8R1.72 CC1(O)CC=CCC1 CS-0998568 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.11 COC1CCCC1=O CS-0432948 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.37 CCOC(=O)C1CO1 CS-0049393 [1,0,0,1,0,0|1,0,0]=3 43 B8R1.5 CC1CCCCC1=O CS-W011265 [0,0,0,1,1,0|1,0,0]=3 44 B8R1.5 O=C1NCCCC1Br CS-0072629 [0,0,0,1,1,0|2,0,0]=4 45 B10R1.30 CCN1C[C@@H](C)NCC1=O CS-0911697 [0,0,0,1,0,1|1,0,0]=3 46 B10R1.64 CC(=O)N[C@H]1CCOC1=O CS-0343312 [0,0,0,1,0,1|1,0,1]=4 47 B10R1.113 CC(C)[C@@H]1COCC(=O)N1 CS-0098278 [0,0,0,1,0,1|2,0,0]=4 48 B10R1.212 CCOC(=O)C(O)C1CC1 CS-0342549 [0,1,0,1,0,0|0,0,0]=2 49 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CO CS-0527625 [0,1,0,1,0,0|0,0,0]=2 50 B10R1.137 CCOC(=O)CC1CNC1 CS-0640704 [0,1,0,1,0,0|0,0,0]=2 51 B10R1.485 CC1(C#N)CCCC(=O)C1 CS-D1237 [0,1,0,1,0,0|1,0,1]=4 52 B10R1.65 C[Si](C)(C)N1CCOC1=O CS-0204861 [0,1,0,1,0,0|1,1,0]=4 53 B10R1.329 CC1CC(=O)CC(C)(C)C1 CS-0070744 [0,1,0,1,0,0|1,0,0]=3 54 B10R2.534 O=C1CCNC2(CC2)C1 CS-0506033 [0,0,0,2,0,0|2,0,0]=4