smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1nnc(C2=C([O-])C(=Cc3cc(Cl)c([O-])c(OC)c3)SC2=N)s1	ZINC000139225356	856625222	/nfs/dbraw/zinc/62/52/22/856625222.db2.gz	IHAXMJYUAXJQKG-CBFBWWQMSA-N	-2	3	395.893	3.886	40	30		GHEBHL
Cc1cc(/C=N\c2ccccc2[O-])c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000408858829	231122946	/nfs/dbraw/zinc/12/29/46/231122946.db2.gz	TUACTSZUIQWJQI-JJFYIABZSA-N	-3	3	378.384	3.947	40	30		GHEBHL
CN1C(=O)/C(=C\c2cc(Cl)ccc2[O-])S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000033293531	570644821	/nfs/dbraw/zinc/64/48/21/570644821.db2.gz	VOQRUGXTUITLKO-HBVQVORYSA-N	-2	3	388.832	3.978	40	30		GHEBHL
CCOc1cc(/C=N/[O-])cc(Br)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409076156	528201526	/nfs/dbraw/zinc/20/15/26/528201526.db2.gz	YURPNOQUVQQQOF-DJKKODMXSA-N	-2	3	394.221	3.933	40	30		GHEBHL
O=[N+]([O-])c1cc(/N=C/c2cccc([O-])c2O)ccc1/N=C/c1cccc(O)c1[O-]	ZINC000004719330	570632079	/nfs/dbraw/zinc/63/20/79/570632079.db2.gz	OIGFCWABERUINT-OIEABDAFSA-N	-2	3	393.355	3.918	40	30		GHEBHL
N=c1[n-]nc(-c2cccc(/N=C/c3cc(Br)ccc3[O-])c2)s1	ZINC000408718087	231104579	/nfs/dbraw/zinc/10/45/79/231104579.db2.gz	IMVAFZFEVBEEMP-QGMBQPNBSA-N	-2	3	375.251	3.836	40	30		GHEBHL
Cc1ccc(C(=O)[O-])cc1/N=C\c1ccc([O-])c(I)c1	ZINC000408905063	231127972	/nfs/dbraw/zinc/12/79/72/231127972.db2.gz	SORLASWGMWAEJG-IUXPMGMMSA-N	-2	3	381.169	3.754	40	30		GHEBHL
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C\c2ccc(O)cc2[O-])cc1	ZINC000016920318	570935186	/nfs/dbraw/zinc/93/51/86/570935186.db2.gz	HLADQEOENUBOJX-BKUYFWCQSA-N	-2	3	382.441	3.958	40	30		GHEBHL
CN1C(=O)/C(=C/c2cc(Cl)ccc2[O-])S/C1=N/c1ccc(C(=O)[O-])cc1	ZINC000100310460	523673993	/nfs/dbraw/zinc/67/39/93/523673993.db2.gz	NDVZEFBVDZWCTC-LBVWADOBSA-N	-2	3	388.832	3.978	40	30		GHEBHL
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C/c2ccc([O-])cc2O)cc1	ZINC000104099755	525615059	/nfs/dbraw/zinc/61/50/59/525615059.db2.gz	HLADQEOENUBOJX-FYJGNVAPSA-N	-2	3	382.441	3.958	40	30		GHEBHL
Cc1cc(/C=N/c2ccc([O-])cc2)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000059250135	570653068	/nfs/dbraw/zinc/65/30/68/570653068.db2.gz	WGHBJAXYPGCFFC-SSDVNMTOSA-N	-3	3	378.384	3.947	40	30		GHEBHL
COc1ccc(S(=O)(=O)[N-]c2ccccc2/C(=N/[O-])c2ccccc2)cc1	ZINC000005260069	570432663	/nfs/dbraw/zinc/43/26/63/570432663.db2.gz	MBCQHYMODTZHOP-QZQOTICOSA-N	-2	3	382.441	3.723	40	30		GHEBHL