smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1nccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)n1	ZINC000217461549	569446309	/nfs/dbraw/zinc/44/63/09/569446309.db2.gz	NKLIQZHUWASQEJ-UHFFFAOYSA-N	0	2	440.525	3.836	50	70		IHIALN
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@H](c2ccncc2)CC(=O)O4)cc1O	ZINC000217711923	569452095	/nfs/dbraw/zinc/45/20/95/569452095.db2.gz	NXABUXOOADXNKF-AWEZNQCLSA-N	0	2	431.400	3.716	50	70	biogenic	IHIALN
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@H](c2cccnc2)CC(=O)O4)cc1O	ZINC000217712455	569452130	/nfs/dbraw/zinc/45/21/30/569452130.db2.gz	KENQLSDUAKPIRH-AWEZNQCLSA-N	0	2	431.400	3.716	50	70	biogenic	IHIALN
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@@H](c2cccnc2)CC(=O)O4)cc1O	ZINC000217712366	569452141	/nfs/dbraw/zinc/45/21/41/569452141.db2.gz	KENQLSDUAKPIRH-CQSZACIVSA-N	0	2	431.400	3.716	50	70	biogenic	IHIALN
O=S(=O)(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1cc(Cl)ccc1Cl	ZINC000218299767	568741421	/nfs/dbraw/zinc/74/14/21/568741421.db2.gz	QHCKWAXNNKYVDZ-CQSZACIVSA-N	0	2	440.308	3.831	50	70		IHIALN
O=S(=O)(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1cc(Cl)ccc1Cl	ZINC000218299716	568741475	/nfs/dbraw/zinc/74/14/75/568741475.db2.gz	QHCKWAXNNKYVDZ-AWEZNQCLSA-N	0	2	440.308	3.831	50	70		IHIALN
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@@H](c2ccncc2)CC(=O)O4)cc1O	ZINC000217711847	569452115	/nfs/dbraw/zinc/45/21/15/569452115.db2.gz	NXABUXOOADXNKF-CQSZACIVSA-N	0	2	431.400	3.716	50	70	biogenic	IHIALN