smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=O)[C@@H](Cc2ccc(Oc3ccc(C[C@H]4SC(=O)[N-]C4=O)cc3)cc2)S1	ZINC000077287084	569293161	/nfs/dbraw/zinc/29/31/61/569293161.db2.gz	GEYIFUZAGWPGGA-HZPDHXFCSA-N	-2	1	428.491	3.267	10	0	in-vitro	IGAEML
O=C1[N-]C(=O)[C@@H](Cc2ccc(Oc3ccc(C[C@@H]4SC(=O)[N-]C4=O)cc3)cc2)S1	ZINC000077287086	569293166	/nfs/dbraw/zinc/29/31/66/569293166.db2.gz	GEYIFUZAGWPGGA-IYBDPMFKSA-N	-2	1	428.491	3.267	10	0	in-vitro	IGAEML
O=C1[N-]C(=O)[C@H](Cc2ccc(Oc3ccc(C[C@@H]4SC(=O)[N-]C4=O)cc3)cc2)S1	ZINC000077287088	569293177	/nfs/dbraw/zinc/29/31/77/569293177.db2.gz	GEYIFUZAGWPGGA-HOTGVXAUSA-N	-2	1	428.491	3.267	10	0	in-vitro	IGAEML
CCCn1nc(C)cc1CN(C)c1ncc([N-]S(=O)(=O)c2ccccc2)cc1C(=O)[O-]	ZINC000035397878	521669128	/nfs/dbraw/zinc/66/91/28/521669128.db2.gz	YGXVDEZPUBUUNV-UHFFFAOYSA-N	-2	1	443.529	3.132	10	0		IGAEML