smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1ccc(NC(=O)CC2S/C(=N/N=C\c3ccco3)NC2=O)cc1 ZINC000036056799 521501456 /nfs/dbraw/zinc/50/14/56/521501456.db2.gz LLGZSDUTIQJCBJ-PFHZTYADSA-N 0 2 414.443 2.407 10 30 HEEELN CCOC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/N=C\c3ccco3)NC2=O)cc1 ZINC000036056799 521501468 /nfs/dbraw/zinc/50/14/68/521501468.db2.gz LLGZSDUTIQJCBJ-PFHZTYADSA-N 0 2 414.443 2.407 10 30 HEEELN