0 B7R0.3 COC(=O)CCCBr CS-W004701 [1,0,0,0,0,0|1,0,1]=3 1 B7R0.3 COC(=O)CCCCl CS-0001466 [1,0,0,0,0,0|1,0,1]=3 2 B7R0.6 CC(=O)NN=C(C)C CS-M2558 [1,0,0,0,0,0|3,0,0]=4 3 B9R0.23 [C@@H](N)(CC(C)C)C(=O)OC CS-W017141 [0,1,0,0,0,0|1,0,1]=3 4 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CS-0059140 [0,1,0,0,0,0|1,0,0]=2 5 B9R0.48 C=C(C)CCC(=O)OCC CS-W018285 [0,1,0,0,0,0|1,0,0]=2 6 B9R0.48 CCOC(=O)NCC(=O)O CS-0106586 [0,1,0,0,0,0|2,0,0]=3 7 B9R1.1 CCC1CCC(=O)CC1 CS-W011153 [0,0,0,1,0,0|2,0,1]=4 8 B9R1.10 O=C1CCS(=O)(=O)CC1 CS-W004862 [0,0,0,1,0,0|3,0,0]=4 9 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 CS-D0218 [0,0,0,1,0,0|3,0,0]=4 10 B9R1.69 C[C@@H]1NC(=O)CNC1=O CS-M0318 [0,0,0,1,0,0|3,0,0]=4 11 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 CS-W022617 [0,0,0,1,0,0|1,0,1]=3 12 B7R0.2 COC(=O)CC(=O)O CS-W007829 [0,0,0,0,1,0|1,0,0]=2 13 B7R0.2 COC(=O)CC(=O)[O-] CS-M3561 [0,0,0,0,1,0|1,0,0]=2 14 B7R0.2 [C@H](C)(O)CC(=O)OC CS-W011223 [0,0,0,0,1,0|0,0,2]=3 15 B9R0.1 COC(=O)CCCC(C)=O CS-0090564 [0,0,0,0,0,1|0,0,0]=1 16 B6R0.1 CC#CC(=O)OC CS-0066219 [2,0,0,0,0,0|0,0,2]=4 17 B6R0.1 COC(=O)CCBr CS-W008728 [2,0,0,0,0,0|1,0,0]=3 18 B6R0.1 COC(=O)\C=C\I CS-0042162 [2,0,0,0,0,0|1,0,1]=4 19 B6R0.4 C#CCCC(=O)O CS-W008784 [2,0,0,0,0,0|0,0,2]=4 20 B6R0.4 C=CCCC(=O)O CS-W009138 [2,0,0,0,0,0|0,0,1]=3 21 B6R0.4 CC(=O)NCCO CS-W013689 [2,0,0,0,0,0|1,0,1]=4 22 B6R0.4 CCOCC(=O)O CS-0071579 [2,0,0,0,0,0|1,0,1]=4 23 B6R0.4 CO\C=C\C(C)=O CS-W013712 [2,0,0,0,0,0|0,0,1]=3 24 B6R0.4 N#CCCC(=O)O CS-W018565 [2,0,0,0,0,0|1,0,1]=4 25 B6R0.4 O=C(O)CCCBr CS-W016047 [2,0,0,0,0,0|1,0,1]=4 26 B8R0.1 CCOC(=O)CCC#N CS-0094471 [1,1,0,0,0,0|1,0,1]=4 27 B8R0.1 CCOC(=O)CCCN CS-W010794 [1,1,0,0,0,0|1,0,1]=4 28 B8R0.1 CCOC(=O)\C=C\C=O CS-W020184 [1,1,0,0,0,0|0,0,2]=4 29 B8R0.3 CCC[C@@H](N)C(=O)OC CS-M2701 [1,1,0,0,0,0|0,0,1]=3 30 B8R0.6 COC(=O)CCCCCl CS-0098043 [1,1,0,0,0,0|0,0,1]=3 31 B8R0.6 COC(=O)CCCCN CS-0018002 [1,1,0,0,0,0|0,0,1]=3 32 B8R0.6 COCCCC(=O)OC CS-W011093 [1,1,0,0,0,0|0,0,1]=3 33 B8R0.7 COCCOCC(=O)O CS-0084611 [1,1,0,0,0,0|1,0,1]=4 34 B8R0.23 CC(=O)O[C@@H](C)C(=O)O CS-B0056 [1,1,0,0,0,0|1,0,0]=3 35 B8R0.23 CC(=O)O[C@H](C)C(=O)O CS-B0055 [1,1,0,0,0,0|1,0,0]=3 36 B8R0.23 N[C@@H](CS(=O)O)C(=O)O CS-W017946 [1,1,0,0,0,0|2,0,0]=4 37 B8R0.16 COC(CC(C)=O)OC CS-0008327 [0,1,0,0,1,0|0,0,2]=4 38 B10R0.3 CCOC(=O)CCCC(C)=O CS-W010896 [0,1,0,0,0,1|0,0,0]=2 39 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O CS-W022740 [0,1,0,0,0,1|1,0,0]=3 40 B10R0.82 COC(=O)CC[C@H](N)C(=O)O CS-W014394 [0,1,0,0,0,1|1,0,0]=3 41 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC CS-W010608 [0,2,0,0,0,0|1,0,1]=4 42 B10R0.46 [C@H](N)(CC(=O)OC)C(=O)OC CS-W010556 [0,2,0,0,0,0|0,0,0]=2 43 B10R0.46 [C@H](O)(CC(=O)OC)C(=O)OC CS-W007994 [0,2,0,0,0,0|0,0,0]=2 44 B10R0.54 COC(=O)[C@H](CS)NC(C)=O CS-0047728 [0,2,0,0,0,0|1,0,0]=3 45 B10R0.47 COC(=O)CC(C)(C)C(=O)O CS-W022201 [0,2,0,0,0,0|1,0,0]=3 46 B8R1.1 C=CC1COC(=O)C1 CS-B0698 [1,0,0,1,0,0|0,0,1]=3 47 B8R1.3 CN1CCC(=O)CC1 CS-W009198 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.3 O=C1COC(=O)CO1 CS-0046191 [1,0,0,1,0,0|1,0,0]=3 49 B8R1.5 CC1CNCCC1=O CS-D0046 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.50 CC1C(=O)CCC1=O CS-W013660 [1,0,0,1,0,0|1,0,0]=3 51 B8R1.50 O=C1CCC(=O)N1I CS-W008878 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.23 O=C(O)C1CC(O)C1 CS-W019144 [1,0,0,1,0,0|0,0,2]=4 53 B8R1.23 [C@H]1(O)C[C@@H](C(=O)O)C1 CS-W005391 [1,0,0,1,0,0|0,0,2]=4 54 B10R1.13 CC(=O)N1CCC(=O)CC1 CS-W018303 [0,0,0,1,0,1|1,0,0]=3 55 B10R1.13 NC(=O)C1CCC(=O)CC1 CS-W022230 [0,0,0,1,0,1|2,0,0]=4 56 B10R1.14 COC(=O)C1CCC(=O)N1 CS-D0636 [0,0,0,1,0,1|1,0,0]=3 57 B10R1.14 COC(=O)C1CCC(N)C1 CS-W006920 [0,0,0,1,0,1|1,0,1]=4 58 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 CS-M0623 [0,0,0,1,0,1|0,0,2]=4 59 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 CS-W017145 [0,0,0,1,0,1|0,0,2]=4 60 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 CS-0097285 [0,0,0,1,0,1|1,0,0]=3 61 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 CS-M0680 [0,0,0,1,0,1|0,0,2]=4 62 B10R1.14 [C@@H]1(O)CN[C@@H](C(=O)OC)C1 CS-W006629 [0,0,0,1,0,1|0,0,2]=4 63 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)O CS-0044233 [0,0,0,1,0,1|2,0,0]=4 64 B10R1.58 CN1CC(C(N)=O)CC1=O CS-0037505 [0,1,0,1,0,0|2,0,0]=4 65 B10R1.413 COC(=O)C1CC(F)(F)C1 CS-0044468 [0,1,0,1,0,0|1,0,1]=4 66 B10R1.140 CCOC(=O)C1CC(O)C1 CS-0044007 [0,1,0,1,0,0|0,0,2]=4 67 B6R0.2 CC(=O)\C=C(\C)N CS-0095595 [1,0,0,0,1,0|1,0,1]=4 68 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0035182 [1,0,0,0,1,0|0,0,2]=4 69 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085625 [1,0,0,0,1,0|0,0,2]=4 70 B6R0.2 NC(=O)CC(N)=O CS-W011312 [1,0,0,0,1,0|2,0,0]=4 71 B6R0.3 COC(=O)C(C)N CS-W011040 [0,0,0,0,2,0|1,0,1]=4 72 B6R0.3 COC(=O)[C@H](C)N CS-W008772 [0,0,0,0,2,0|1,0,1]=4 73 B6R0.3 [C@@H](C)(Cl)C(=O)OC CS-W011191 [0,0,0,0,2,0|1,0,1]=4 74 B6R0.3 [C@H](C)(N)C(=O)OC CS-W007986 [0,0,0,0,2,0|1,0,1]=4 75 B10R0.55 COC(=O)CCCCC(=O)O CS-W017938 [0,0,0,0,0,2|1,0,0]=3