smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CNCP(=O)([O-])[O-])NO	13644042	169320778	/nfs/dbraw/zinc/32/07/78/169320778.db2.gz	DSADRDIOOIRTOU-UHFFFAOYSA-N	-2	3	184.088	-1.783	1	30		AAEFHL
O=C(COCP(=O)([O-])[O-])N[O-]	29057302	169321940	/nfs/dbraw/zinc/32/19/40/169321940.db2.gz	GEKHOMJHDHFAMX-UHFFFAOYSA-N	-3	3	185.072	-1.356	1	30		AAEFHL
O=C([O-])[C@@H](O)[C@H](O)[C@H](O)C(=O)N[O-]	6416219	169345745	/nfs/dbraw/zinc/34/57/45/169345745.db2.gz	DMGBHBFPSRKPBV-LAMMAJBHSA-N	-2	3	195.127	-3.341	1	30	in-vitro	AAEFHL
N[C@H](C(=O)[O-])[C@H](CC=O)C(=O)N[O-]	5112849	560200583	/nfs/dbraw/zinc/20/05/83/560200583.db2.gz	MPBZRCYIZWWVPG-IMJSIDKUSA-N	-2	3	190.155	-1.891	1	30	in-vitro	AAEFHL
N[C@H](C(=O)[O-])[C@@H](CC=O)C(=O)N[O-]	5112856	560200549	/nfs/dbraw/zinc/20/05/49/560200549.db2.gz	MPBZRCYIZWWVPG-DMTCNVIQSA-N	-2	3	190.155	-1.891	1	30	in-vitro	AAEFHL
N[C@@H](C(=O)[O-])[C@H](CC=O)C(=O)N[O-]	5112851	560200575	/nfs/dbraw/zinc/20/05/75/560200575.db2.gz	MPBZRCYIZWWVPG-IUYQGCFVSA-N	-2	3	190.155	-1.891	1	30	in-vitro	AAEFHL
N[C@@H](C(=O)[O-])[C@@H](CC=O)C(=O)N[O-]	5112857	560200593	/nfs/dbraw/zinc/20/05/93/560200593.db2.gz	MPBZRCYIZWWVPG-QWWZWVQMSA-N	-2	3	190.155	-1.891	1	30	in-vitro	AAEFHL