smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2cccc(S(=O)(=O)[O-])c2C(=O)c2ccc([O-])c(O)c21	ZINC000034204810	304720840	/nfs/dbraw/zinc/72/08/40/304720840.db2.gz	ZJURSVKCUMCGMF-UHFFFAOYSA-N	-2	1	320.278	1.120	40	10		DDCBML
Nc1nc(N)c(N=Nc2ccc(SCC(=O)[O-])cc2)c(=O)[n-]1	ZINC000004878911	181167769	/nfs/dbraw/zinc/16/77/69/181167769.db2.gz	AYYSVBIYOZSNGC-ISLYRVAYSA-N	-2	1	320.334	1.526	40	10		DDCBML
Nc1nc(N)c(N=Nc2ccc(SCC(=O)[O-])cc2)c(=O)[n-]1	ZINC000018192390	406884978	/nfs/dbraw/zinc/88/49/78/406884978.db2.gz	AYYSVBIYOZSNGC-ZCXUNETKSA-N	-2	1	320.334	1.526	40	10		DDCBML
O=C(C1=C([O-])C(=O)C(=C([O-])c2ccccc2)C1=O)c1ccccc1	ZINC000104366063	194002520	/nfs/dbraw/zinc/00/25/20/194002520.db2.gz	LTXGUVKIICCYCN-KBPBESRZSA-N	-2	1	320.300	1.706	40	10		DDCBML
O=C(C1=C([O-])C(=O)C(=C([O-])c2ccccc2)C1=O)c1ccccc1	ZINC000104366067	194002591	/nfs/dbraw/zinc/00/25/91/194002591.db2.gz	LTXGUVKIICCYCN-ZIAGYGMSSA-N	-2	1	320.300	1.706	40	10		DDCBML
O=C1c2cc([O-])c(Cl)c([O-])c2C(=O)c2c(O)cc(CO)cc21	ZINC000013386732	304720399	/nfs/dbraw/zinc/72/03/99/304720399.db2.gz	GPTPSPAFUZTDEG-UHFFFAOYSA-N	-2	1	320.684	1.725	40	10	biogenic,in-vitro	DDCBML
O=C(C1=C([O-])C(=O)C(=C([O-])c2ccccc2)C1=O)c1ccccc1	ZINC000104366058	194002481	/nfs/dbraw/zinc/00/24/81/194002481.db2.gz	LTXGUVKIICCYCN-OKILXGFUSA-N	-2	1	320.300	1.706	40	10		DDCBML
O=C([O-])c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O	ZINC000003977762	304226178	/nfs/dbraw/zinc/22/61/78/304226178.db2.gz	ZJXVNNSMRGTDBI-UHFFFAOYSA-N	-3	1	300.222	1.277	40	10	biogenic,in-vitro	DDCBML