smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)/C(=N/[O-])[C@H]2S(=O)(=O)C1	ZINC000040954399	183150597	/nfs/dbraw/zinc/15/05/97/183150597.db2.gz	DPERTPKVAQGPKX-NJQKBMNKSA-N	-2	3	318.263	-1.685	1	30		DAEFHL
CC1(C)[C@H](C(=O)[O-])N2C(=O)[C@@H](CC(=O)N[O-])[C@H]2S1(=O)=O	ZINC000066156989	184393440	/nfs/dbraw/zinc/39/34/40/184393440.db2.gz	DITRNBDUFPOBIB-GZDOIFTASA-N	-2	3	306.296	-1.673	1	30		DAEFHL
Nc1[n-]n2c(nc(CNN[C@@H](N)[S-])cc2=O)c1[N+](=O)[O-]	ZINC000028356956	182521993	/nfs/dbraw/zinc/52/19/93/182521993.db2.gz	RZIJHBZKPPZVTE-MRVPVSSYSA-N	-2	3	300.304	-1.308	1	30		DAEFHL
O=C(COP(=O)([O-])[O-])N([O-])CCCOP(=O)([O-])[O-]	ZINC000058638417	184125488	/nfs/dbraw/zinc/12/54/88/184125488.db2.gz	IISKWLQYGVRJHI-UHFFFAOYSA-N	-5	3	309.104	-1.187	1	30	in-vitro	DAEFHL
NC(N)=NC(=O)c1nc(Cl)c(NCP(=O)([O-])[O-])nc1N	ZINC000073129729	191281403	/nfs/dbraw/zinc/28/14/03/191281403.db2.gz	RWVBADCFJFDCIT-UHFFFAOYSA-N	-2	3	323.637	-1.327	1	30		DAEFHL