smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1c(N=Nc2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)c(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc1)C(S(=O)(=O)[O-])=C2	ZINC000096077630	562790366	/nfs/dbraw/zinc/79/03/66/562790366.db2.gz	OTKRGWXWWWNPKU-FUEWEDNTSA-N	-4	1	903.904	2.638	10	10	in-vitro	KFCEML
Cc1[nH]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1C=CC=CC=C1C(=O)N(c2ccc(S(=O)(=O)[O-])cc2)N=C1C	ZINC000100124023	554224730	/nfs/dbraw/zinc/22/47/30/554224730.db2.gz	ZYEKPKUEHLUSET-JPFZIWQRSA-N	-2	1	570.605	2.980	10	10		KFCEML
Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1C=CC=CC=C1C(=O)N(c2ccc(S(=O)(=O)[O-])cc2)N=C1C	ZINC000100124023	554224729	/nfs/dbraw/zinc/22/47/29/554224729.db2.gz	ZYEKPKUEHLUSET-JPFZIWQRSA-N	-3	1	570.605	2.980	10	10		KFCEML
Cc1[nH]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1C=CC=CC=C1C(=O)N(c2ccc(S(=O)(=O)[O-])cc2)N=C1C	ZINC000100124028	554224744	/nfs/dbraw/zinc/22/47/44/554224744.db2.gz	ZYEKPKUEHLUSET-QNFWPJMESA-N	-2	1	570.605	2.980	10	10		KFCEML
Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1C=CC=CC=C1C(=O)N(c2ccc(S(=O)(=O)[O-])cc2)N=C1C	ZINC000100124028	554224743	/nfs/dbraw/zinc/22/47/43/554224743.db2.gz	ZYEKPKUEHLUSET-QNFWPJMESA-N	-3	1	570.605	2.980	10	10		KFCEML