smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cccc(C(=O)NNC(=O)[O-])c1[O-]	ZINC000827596210	603530625	/nfs/dbraw/zinc/53/06/25/603530625.db2.gz	RYMIBHVAMAVJGG-UHFFFAOYSA-N	-2	3	224.216	0.867	20	50		BCGDHL
O=C([O-])N[N-]C(=O)c1cn2ccccc2n1	ZINC000832748628	605187125	/nfs/dbraw/zinc/18/71/25/605187125.db2.gz	OAELVTBQHMUZNS-UHFFFAOYSA-N	-2	3	220.188	0.247	20	50		BCGDHL
O=C([O-])NN=C([O-])NCCC(F)(F)F	ZINC000832748058	603441241	/nfs/dbraw/zinc/44/12/41/603441241.db2.gz	CUWZAKTWYCWOOB-UHFFFAOYSA-N	-2	3	215.131	0.421	20	50		BCGDHL
Cn1cc(C(=O)[N-]NC(=O)[O-])c(C(F)F)n1	ZINC000833943627	606018614	/nfs/dbraw/zinc/01/86/14/606018614.db2.gz	NVIINKAEBOETOZ-UHFFFAOYSA-N	-2	3	234.162	0.270	20	50		BCGDHL
O=C([O-])N[N-]C(=O)c1ccncc1Cl	ZINC000832748337	603609206	/nfs/dbraw/zinc/60/92/06/603609206.db2.gz	HGTGLNBIPAKRCU-UHFFFAOYSA-N	-2	3	215.596	0.647	20	50		BCGDHL