0 B7R0.6 CC(=O)CCC(C)=O CS-D1203 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.6 CN(C)CCC(=O)O CS-W007826 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.6 NC(=O)CCC(=O)O CS-0094544 [0,0,0,0,0,0|1,0,0]=1 3 B6R0.4 CC(=O)CCCCl CS-W013569 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.4 COCCC(=O)O CS-W009112 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.4 N=C(O)NCCO CS-W011301 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.9 COC(=O)CCC(=O)O CS-W011096 [0,1,0,0,0,0|0,0,0]=1 7 B8R0.23 CC(=O)N[C@H](C)C(=O)O CS-W013429 [0,1,0,0,0,0|2,0,0]=3 8 B8R0.23 CC(C)CC(Br)C(=O)O CS-W021616 [0,1,0,0,0,0|2,0,1]=4 9 B8R0.23 CC(C)C[C@@H](O)C(=O)O CS-0000170 [0,1,0,0,0,0|2,0,1]=4 10 B8R0.23 NC(CC(=O)O)C(=O)O CS-W016540 [0,1,0,0,0,0|0,0,0]=1 11 B8R0.23 O=C(O)CC(S)C(=O)O CS-W010986 [0,1,0,0,0,0|0,0,0]=1 12 B8R0.29 O=C(O)CCC(F)(F)F CS-W007460 [0,1,0,0,0,0|2,0,1]=4 13 B8R1.3 O=C1CCC(O)CN1 CS-D0057 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.3 O=C1CNC(=O)CN1 CS-0046695 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.23 O=C1CC(C(=O)O)C1 CS-D1519 [0,0,0,1,0,0|1,0,0]=2 16 B6R0.2 N=C(N)CC(N)=O CS-W018503 [0,0,0,0,1,0|3,0,0]=4 17 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [0,0,0,0,1,0|2,0,1]=4 18 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [0,0,0,0,1,0|2,0,1]=4 19 B8R0.28 CC(=O)CCC=C(C)C CS-W011151 [0,0,0,0,0,1|3,0,0]=4 20 B8R0.28 CN(C)CCCC(=O)O CS-W007989 [0,0,0,0,0,1|3,0,0]=4 21 B5R0.1 CC(=O)CCO CS-0044370 [2,0,0,0,0,0|1,0,0]=3 22 B5R0.2 C=CCCCO CS-W011355 [2,0,0,0,0,0|1,0,1]=4 23 B7R0.5 C#CC[C@H](N)C(=O)O CS-0101207 [1,1,0,0,0,0|1,0,1]=4 24 B7R0.5 NC(CCO)C(=O)O CS-W013586 [1,1,0,0,0,0|0,0,1]=3 25 B7R0.5 [C@H](N)(CC=C)C(=O)O CS-W013622 [1,1,0,0,0,0|1,0,0]=3 26 B9R0.7 NC(CCC(=O)O)C(=O)O CS-W022635 [0,1,0,0,0,1|0,0,0]=2 27 B9R0.53 CN(CC(=O)O)CC(=O)O CS-W007872 [0,1,0,0,0,1|0,0,0]=2 28 B9R0.24 COC(=O)CCC(=O)CBr CS-0042170 [0,2,0,0,0,0|1,0,0]=3 29 B9R0.42 COC(=O)C[C@H](N)C(=O)O CS-0019407 [0,2,0,0,0,0|0,0,0]=2 30 B9R0.48 CCOC(=O)CCC(C)=O CS-W011009 [0,2,0,0,0,0|1,0,0]=3 31 B9R0.48 CCOC(=O)CNC(C)=O CS-W016367 [0,2,0,0,0,0|2,0,0]=4 32 B9R0.11 CC(C)(CC(=O)O)C(=O)O CS-W016357 [0,2,0,0,0,0|0,0,0]=2 33 B7R1.2 O=C1CNC(=O)N1 CS-W011328 [1,0,0,1,0,0|2,0,0]=4 34 B7R1.2 O=C1CNC(=O)O1 CS-W011320 [1,0,0,1,0,0|1,0,0]=3 35 B7R1.2 O=C1CSC(=O)N1 CS-W019917 [1,0,0,1,0,0|2,0,0]=4 36 B7R1.3 O=C1CCCOC1 CS-D1576 [1,0,0,1,0,0|1,0,1]=4 37 B7R1.12 O=C(O)C1CC1F CS-W006378 [1,0,0,1,0,0|1,0,1]=4 38 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS-0029963 [1,0,0,1,0,0|1,0,1]=4 39 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-0031485 [1,0,0,1,0,0|1,0,1]=4 40 B7R1.18 O=C(O)C1CNC1 CS-W019846 [1,0,0,1,0,0|2,0,0]=4 41 B7R1.18 O=C(O)C1COC1 CS-B1344 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.35 O=C(O)C1CCC(O)=N1 CS-W013454 [0,0,0,1,0,1|1,0,0]=3 43 B9R1.35 O=C1CC[C@H](C(=O)O)O1 CS-W021140 [0,0,0,1,0,1|0,0,0]=2 44 B9R1.82 COC(=O)C1CC(=O)C1 CS-W007372 [0,1,0,1,0,0|1,0,0]=3 45 B5R0.5 O=C([O-])C(=O)[O-] CS-W022571 [0,0,0,0,2,0|0,0,2]=4