0 B8R0.9 NCC(=O)CCC(=O)O 27973 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 C=CCSCC(=O)O W18604 [1,0,0,0,0,0|1,0,0]=2 2 B7R0.4 CCOCCC(=O)O F11739 [1,0,0,0,0,0|1,0,2]=4 3 B7R0.4 NCCCCC(=O)O T70410 [1,0,0,0,0,0|1,0,1]=3 4 B7R0.4 O=C(O)CCCCO C72352 [1,0,0,0,0,0|1,0,1]=3 5 B7R0.6 CC(C)CCC(=O)Cl D91586 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.6 CC(C)OCC(=O)O S10646 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.6 N=C(N)SCC(=O)O D95830 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.6 NC(=O)CCC(=O)O H12054 [1,0,0,0,0,0|1,0,1]=3 9 B7R0.6 NC(=O)SCC(=O)O E72504 [1,0,0,0,0,0|2,0,1]=4 10 B9R0.7 CS(=O)CCC(N)C(=O)O D91281 [0,1,0,0,0,0|3,0,0]=4 11 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O D91481 [0,1,0,0,0,0|2,0,0]=3 12 B9R0.7 NC(=O)CC[C@H](N)C(N)=O FD21548 [0,1,0,0,0,0|2,0,0]=3 13 B9R0.7 [15NH2][C@@H](CCC(=O)O)C(=O)O 41414 [0,1,0,0,0,0|1,0,0]=2 14 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 P16423 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 P16433 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.35 O=C(O)[C@@H]1C[C@H](Br)CN1 D83167 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 C10066 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 C10788 [0,0,0,1,0,0|2,0,1]=4 19 B7R0.2 CN(C=O)CC(=O)O AC6048 [0,0,0,0,1,0|3,0,0]=4 20 B6R0.1 C=CC[C@H](O)C=C F17450 [2,0,0,0,0,0|1,0,1]=4 21 B6R0.4 C=CCCB(O)O AT21524 [2,0,0,0,0,0|1,0,1]=4 22 B6R0.4 C=CCCC(=C)C D91319 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.4 C=CCCC(C)=O D90803 [2,0,0,0,0,0|1,0,0]=3 24 B6R0.4 C=CCNC(N)=O D88233 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.4 CCCCC(=O)Br D92781 [2,0,0,0,0,0|1,0,1]=4 26 B6R0.6 C=CCCCC#N D90957 [2,0,0,0,0,0|1,0,1]=4 27 B6R0.6 C=CCCCCC D90784 [2,0,0,0,0,0|1,0,1]=4 28 B6R0.6 C=CCC\C=C\C T71838 [2,0,0,0,0,0|1,0,1]=4 29 B8R0.7 C=CCCCOC(C)=O D88422 [1,1,0,0,0,0|1,0,0]=3 30 B8R0.7 C=CCOCCC(=O)O D88301 [1,1,0,0,0,0|0,0,0]=2 31 B8R0.7 NCCCNCC(=O)O D88391 [1,1,0,0,0,0|1,0,1]=4 32 B8R0.28 CC(C)CCCC(=O)O D91448 [1,1,0,0,0,0|0,0,2]=4 33 B8R0.28 O=C(Cl)CCCC(=O)Cl F53553 [1,1,0,0,0,0|2,0,0]=4 34 B8R0.28 O=C([O-])CCCC(=O)[O-] D90710 [1,1,0,0,0,0|1,0,1]=4 35 B8R0.23 C=C(C)C[C@H](N)C(=O)O A50369 [1,1,0,0,0,0|1,0,1]=4 36 B8R0.23 CC(C)C[C@H](Cl)C(=O)O E72665 [1,1,0,0,0,0|1,0,1]=4 37 B8R0.23 CC(C)C[C@H](Cl)C(=O)O T70718 [1,1,0,0,0,0|1,0,1]=4 38 B8R0.23 CC(C)[C@@H](N)CC(=O)O F53429 [1,1,0,0,0,0|1,0,1]=4 39 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O F12118 [0,2,0,0,0,0|1,0,1]=4 40 B8R1.2 C=C[C@@H]1CC=CCC1 D92779 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.7 O=C(O)[C@@H]1C=CCO1 60334 [1,0,0,1,0,0|1,0,0]=3 42 B8R1.77 O=C(O)[C@H]1CC1(Cl)Cl AT10912 [1,0,0,1,0,0|2,0,0]=4 43 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 P11695 [0,0,0,1,0,1|0,0,2]=4 44 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 AT23431 [0,1,0,1,0,0|0,0,2]=4 45 B10R1.66 O=C(O)CCC1=CNC=N1 W10218 [0,1,0,1,0,0|0,0,2]=4 46 B6R0.3 CC[C@H](N)C(=O)O 25311 [0,0,0,0,2,0|0,0,2]=4 47 B6R0.3 NC[C@H](N)C(=O)O 36687 [0,0,0,0,2,0|1,0,1]=4