smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H]([NH+](C)C)[C@@H]3[C@H](O)[C@@H]21	ZINC000253388142	568920032	/nfs/dbraw/zinc/92/00/32/568920032.db2.gz	ZOSHTZVEWUAHLQ-FRGJHHOQSA-N	0	2	444.440	-1.131	50	30		IAEALN
C[C@@H]1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@H]21	ZINC000253388143	568920060	/nfs/dbraw/zinc/92/00/60/568920060.db2.gz	ZOSHTZVEWUAHLQ-FTMUNVGNSA-N	0	2	444.440	-1.131	50	30		IAEALN
C[C@@H]1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H]([NH+](C)C)[C@@H]3[C@H](O)[C@H]21	ZINC000253388144	568920007	/nfs/dbraw/zinc/92/00/07/568920007.db2.gz	ZOSHTZVEWUAHLQ-HXXZSOQJSA-N	0	2	444.440	-1.131	50	30		IAEALN
C[C@@H]1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@@H]21	ZINC000253388145	568920047	/nfs/dbraw/zinc/92/00/47/568920047.db2.gz	ZOSHTZVEWUAHLQ-ZKJJHSJMSA-N	0	2	444.440	-1.131	50	30		IAEALN