0 B7R0.6 C(=C\C(=O)O)/C(=O)O FUM [0,0,0,0,0,0|4,0,0]=4 1 B7R0.6 C(=C\C(=O)O)\C(=O)O MAE [0,0,0,0,0,0|4,0,0]=4 2 B7R0.6 C(=C\C(=O)[O-])/C(=O)[O-] FMR [0,0,0,0,0,0|4,0,0]=4 3 B7R0.6 C(CC(=O)O)C(=O)O SIN [0,0,0,0,0,0|4,0,0]=4 4 B7R0.6 CC(=O)CCC(=O)O SHF [0,0,0,0,0,0|4,0,0]=4 5 B7R0.6 CC(=O)NCC(=O)O AAC [0,0,0,0,0,0|3,0,1]=4 6 B7R0.6 N=C(\N)/NCC(=O)O NMG [0,0,0,0,0,0|3,0,1]=4 7 B6R0.4 C(CC(=O)O)C=O SSN [1,0,0,0,0,0|3,0,0]=4 8 B8R0.23 C(C(=O)N)N(C(=O)O)N ZSN [0,1,0,0,0,0|2,0,1]=4 9 B8R0.23 C([C@@H](C(=O)N)N)C(=O)O XSN [0,1,0,0,0,0|3,0,0]=4 10 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N ASN [0,1,0,0,0,0|3,0,0]=4 11 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N ASN_LFOH [0,1,0,0,0,0|3,0,0]=4 12 B8R0.23 C([C@@H](C(=O)O)[NH-])C(=O)N ASN_LEO2H [0,1,0,0,0,0|3,0,0]=4 13 B8R0.23 C([C@@H](C(=O)[O-])[NH-])C(=O)N ASN_LEO2 [0,1,0,0,0,0|3,0,0]=4 14 B8R0.23 C([C@@H](C(=O)[O-])[NH3+])C(=O)N ASN_LFZW [0,1,0,0,0,0|3,0,0]=4 15 B8R0.23 C([C@H](C(=O)O)N)C(=O)N DSG [0,1,0,0,0,0|3,0,0]=4 16 B8R0.23 CN(CC(=O)O)C(=O)N CMS [0,1,0,0,0,0|2,0,1]=4 17 B8R0.23 C[C@H](C(=O)O)NC(=O)N NCB [0,1,0,0,0,0|2,0,1]=4 18 B8R0.23 [C@H](C(=O)O)(N)NC(=O)N UGY [0,1,0,0,0,0|2,0,1]=4 19 B8R0.23 [C@H](C(=O)O)(NC(=O)N)O UGC [0,1,0,0,0,0|2,0,1]=4 20 B8R1.3 c1cc(ncc1N)N DA1 [0,0,0,1,0,0|3,0,0]=4 21 B6R0.2 C(C(=O)N)C(=O)O MLM [0,0,0,0,1,0|2,0,0]=3 22 B6R0.2 C(C(=O)O)C(=O)Cl PR6 [0,0,0,0,1,0|3,0,0]=4 23 B6R0.2 C(C(=O)O)C(=O)O MLA [0,0,0,0,1,0|3,0,0]=4 24 B6R0.2 C(C(=O)[O-])C(=O)[O-] MLI [0,0,0,0,1,0|3,0,0]=4 25 B6R0.2 CC(=O)CC(=O)C P2D [0,0,0,0,1,0|3,0,0]=4 26 B6R0.2 CC(=O)CC(=O)O AAE [0,0,0,0,1,0|3,0,0]=4 27 B6R0.2 CC(=O)CC(=O)O LIN [0,0,0,0,1,0|3,0,0]=4 28 B8R0.28 C(CNC(=O)N)C(=O)O URP [0,0,0,0,0,1|2,0,1]=4 29 B5R0.2 C(=CC=O)C=O 2FU [2,0,0,0,0,0|2,0,0]=4 30 B9R0.7 C(CC(=O)N)[C@@H](C(=O)N)N 6E4 [0,1,0,0,0,1|2,0,0]=4 31 B7R1.2 C1C(=O)NC(=O)N1 HYN [1,0,0,1,0,0|1,0,1]=4 32 B7R1.2 Cc1[nH]c(nn1)S YY1 [1,0,0,1,0,0|1,1,0]=4 33 B7R1.2 c1([nH]nc(n1)N)N XIX [1,0,0,1,0,0|1,0,1]=4 34 B9R1.69 C1=C(C(=O)NC(=O)N1)N WBU [0,1,0,1,0,0|1,0,1]=4 35 B5R0.5 C(=O)(C(=O)O)N OXM [0,0,0,0,2,0|1,0,0]=3 36 B5R0.5 C(=O)(C(=O)O)O OXD [0,0,0,0,2,0|2,0,0]=4 37 B5R0.5 C(=O)(C(=O)[O-])[O-] OXL [0,0,0,0,2,0|2,0,0]=4 38 B5R0.5 C=C(C(=O)N)N PYT [0,0,0,0,2,0|1,0,0]=3 39 B5R0.5 C=C(C(=O)O)N DHA [0,0,0,0,2,0|2,0,0]=4 40 B5R0.5 CC(=O)C(=O)N PYM [0,0,0,0,2,0|1,0,0]=3 41 B5R0.5 CC(=O)C(=O)O PYR [0,0,0,0,2,0|2,0,0]=4 42 B5R0.5 C[C@@H](C(=O)N)N 66N [0,0,0,0,2,0|1,0,1]=4