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(=Cc2ccc([O-])c(I)c2)C(=O)N1	ZINC000408963500	534784680	/nfs/dbraw/zinc/78/46/80/534784680.db2.gz	ODLWXPLBMGZJQE-UHFFFAOYSA-N	-2	3	358.091	0.746	40	10		FCCBHL
CCOc1cc([N+](=O)[O-])cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c1[O-]	ZINC000408914505	528336303	/nfs/dbraw/zinc/33/63/03/528336303.db2.gz	YETGZVUVQLCKRA-WEVVVXLNSA-N	-2	3	351.340	0.956	40	10		FCCBHL
O=c1[n-]c(=O)c(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)c[nH]1	ZINC000032554009	487778561	/nfs/dbraw/zinc/77/85/61/487778561.db2.gz	ALFQKNDKTVHIHA-UHFFFAOYSA-N	-2	3	350.381	0.988	40	10		FCCBHL
O=c1cc([O-])n(-c2nc(Nc3ccc(F)cc3)nc(N3CCOCC3)n2)[n-]1	ZINC000006221787	229147302	/nfs/dbraw/zinc/14/73/02/229147302.db2.gz	VOVJRXDBYMDUHO-UHFFFAOYSA-N	-2	3	373.348	0.359	40	10		FCCBHL
O=C1[N-]C(=O)c2cc(-c3ccc(C=C4C(=O)[N-]C(=S)NC4=O)o3)ccc21	ZINC000005678253	487489867	/nfs/dbraw/zinc/48/98/67/487489867.db2.gz	CAYRXGPXXSODJD-UHFFFAOYSA-N	-2	3	367.342	0.745	40	10		FCCBHL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)ccc1O	ZINC000226860042	488451976	/nfs/dbraw/zinc/45/19/76/488451976.db2.gz	DMYZZLAHRFMZMT-UHFFFAOYSA-N	-3	3	362.319	0.775	40	10		FCCBHL
CCOc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000408909585	528197251	/nfs/dbraw/zinc/19/72/51/528197251.db2.gz	HFWLYCUNMYSUHB-XBXARRHUSA-N	-2	3	351.340	0.956	40	10		FCCBHL
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc([O-])c(I)c1	ZINC000408961161	230015024	/nfs/dbraw/zinc/01/50/24/230015024.db2.gz	AZIYGWOXUMOBFW-UHFFFAOYSA-N	-2	3	374.159	0.911	40	10		FCCBHL