0 B6R0.1 CCC(=O)CC#N CS-0084645 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.1 CCC(=O)CSC CS-0434652 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.1 CCC(O)CNC CS-0225521 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.1 COC(=O)CSC CS-W013574 [0,0,0,0,0,0|0,0,0]=0 4 B6R0.1 COC(=O)NC#N CS-0379068 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.1 CCC[C@@H](C)O CS-0198768 [1,0,0,0,0,0|1,0,2]=4 6 B5R0.1 CSCC(C)O CS-0265494 [1,0,0,0,0,0|0,0,2]=3 7 B5R0.3 CCC(I)CC CS-0236902 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.2 COC(=O)CC(C)=O CS-0017265 [0,1,0,0,0,0|1,0,0]=2 9 B7R0.2 COC(=O)C[C@H](C)Br CS-0910358 [0,1,0,0,0,0|1,0,0]=2 10 B7R0.3 COC(=O)CCCO CS-0042326 [0,1,0,0,0,0|1,0,0]=2 11 B7R0.3 O=C(CBr)CCCBr CS-1172752 [0,1,0,0,0,0|3,0,0]=4 12 B7R0.5 COCC(=O)C(C)C CS-0310664 [0,1,0,0,0,0|1,1,0]=3 13 B7R0.7 CCOC(=O)\C=C/I CS-0151925 [0,1,0,0,0,0|2,0,1]=4 14 B7R0.7 CCOC(=O)\C=C\F CS-0890432 [0,1,0,0,0,0|2,0,1]=4 15 B7R0.10 CCC(O)C(=O)OC CS-0469790 [0,1,0,0,0,0|1,0,0]=2 16 B7R0.10 CCC(O)C(=O)O[Na] CS-W013506 [0,1,0,0,0,0|2,0,0]=3 17 B7R0.10 COC(=O)C(Br)CBr CS-0187461 [0,1,0,0,0,0|2,0,0]=3 18 B7R0.10 COC(=O)C(Cl)CCl CS-W017982 [0,1,0,0,0,0|2,0,0]=3 19 B7R0.10 COC(=O)C(N)CCl CS-0150915 [0,1,0,0,0,0|2,0,0]=3 20 B7R1.2 C[C@@H]1CC(=O)CN1 CS-0656263 [0,0,0,1,0,0|3,0,0]=4 21 B7R1.2 O=C1C=C(O)CO1 CS-W013716 [0,0,0,1,0,0|2,0,1]=4 22 B7R1.3 CC1=NCCCC1 CS-1176015 [0,0,0,1,0,0|3,0,0]=4 23 B7R1.3 O=C1C=CCCO1 CS-0037765 [0,0,0,1,0,0|1,0,1]=3 24 B7R1.4 CN1CNCC1=O CS-0620292 [0,0,0,1,0,0|2,0,0]=3 25 B7R1.22 O=C(O[K])[C@H]1CO1 CS-0099809 [0,0,0,1,0,0|1,1,0]=3 26 B4R0.1 NC(=O)CCl CS-W011345 [2,0,0,0,0,0|2,0,0]=4 27 B4R0.1 O=C(O)CO CS-W016683 [2,0,0,0,0,0|0,1,0]=3 28 B6R0.2 CC(=O)\C=C(\C)N CS-0095595 [1,1,0,0,0,0|1,0,1]=4 29 B6R0.2 O=C(O)CC(F)F CS-0054587 [1,1,0,0,0,0|2,0,0]=4 30 B6R0.3 CCC(Br)C(=O)O CS-W016049 [1,1,0,0,0,0|1,0,0]=3 31 B6R0.3 N[C@H](CS)C(=O)O CS-0046802 [1,1,0,0,0,0|2,0,0]=4 32 B6R0.4 CSCCC(C)O CS-0242060 [1,1,0,0,0,0|0,0,2]=4 33 B6R0.4 O=C(O)CCCF CS-0491783 [1,1,0,0,0,0|1,0,0]=3 34 B6R0.4 O=C(O)\C=C\CCl CS-0368704 [1,1,0,0,0,0|1,0,1]=4 35 B6R0.8 COP(=O)(O)OC CS-0164327 [1,1,0,0,0,0|1,1,0]=4 36 B8R0.5 CCOC(=O)C[C@@H](C)O CS-D1461 [0,2,0,0,0,0|1,0,0]=3 37 B8R0.1 CCC#CC(=O)OCC CS-0049392 [0,2,0,0,0,0|1,0,1]=4 38 B8R0.1 CCOC(=O)C#CCBr CS-0964527 [0,2,0,0,0,0|1,0,1]=4 39 B8R0.1 CCOC(=O)CCCO CS-0539430 [0,2,0,0,0,0|1,0,0]=3 40 B8R0.1 CCOC(=O)CCSC CS-W010980 [0,2,0,0,0,0|0,0,0]=2 41 B8R0.3 C=CCC(N)C(=O)OC CS-0158009 [0,2,0,0,0,0|1,0,1]=4 42 B8R0.3 CCOC(=O)C(O)CCl CS-0811151 [0,2,0,0,0,0|2,0,0]=4 43 B8R0.3 COC(=O)[C@@H](O)CCN CS-0611326 [0,2,0,0,0,0|1,0,0]=3 44 B8R0.6 CCCCCC(=O)O[Na] CS-0152338 [0,2,0,0,0,0|2,0,0]=4 45 B8R0.30 CCCS(=O)(=O)OCC CS-1053391 [0,2,0,0,0,0|2,0,0]=4 46 B6R1.2 O=C1CCCS1 CS-0120136 [1,0,0,1,0,0|1,1,0]=4 47 B8R1.1 C=C[C@@H]1COC(=O)C1 CS-B0325 [0,1,0,1,0,0|1,0,1]=4 48 B8R1.1 CCC1CCC(=O)O1 CS-W016608 [0,1,0,1,0,0|2,0,0]=4 49 B8R1.1 O=C1OCC(CCl)O1 CS-0231732 [0,1,0,1,0,0|2,0,0]=4 50 B8R1.4 CC1CCNC(=O)C1 CS-0052341 [0,1,0,1,0,0|2,0,0]=4 51 B8R1.18 CC1CC(=O)C(C)O1 CS-0784607 [0,1,0,1,0,0|2,0,0]=4 52 B8R1.18 CC1OC(=O)OC1C CS-0511127 [0,1,0,1,0,0|2,0,0]=4 53 B8R1.5 CC1CCCCC1=O CS-W011265 [0,1,0,1,0,0|2,0,0]=4 54 B8R1.5 O=C1NCCCC1Br CS-0072629 [0,1,0,1,0,0|2,0,0]=4 55 B8R1.22 O=C1CCCOCC1 CS-0037287 [0,1,0,1,0,0|1,1,0]=4 56 B8R1.50 CN1CC[C@@H](N)C1=O CS-0435485 [0,1,0,1,0,0|2,0,0]=4 57 B8R1.37 CCOC(=O)C1CO1 CS-0049393 [0,1,0,1,0,0|0,1,0]=3 58 B8R1.11 COC1CCCC1=O CS-0432948 [0,1,0,1,0,0|1,0,0]=3 59 B8R1.11 N#CC1CSCC1=O CS-W016559 [0,1,0,1,0,0|1,0,1]=4 60 B8R1.39 CNC(=O)C1(N)CC1 CS-0288212 [0,1,0,1,0,0|2,0,0]=4