smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000013627189	556537782	/nfs/dbraw/zinc/53/77/82/556537782.db2.gz	ACDGIFVVMOEASV-CJLVFECKSA-N	-2	1	447.520	3.991	40	10		IHCBML
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc([N+](=O)[O-])c([O-])cc1[O-]	ZINC000409030514	556926973	/nfs/dbraw/zinc/92/69/73/556926973.db2.gz	DRDKKWBBGZHQET-FARCUNLSSA-N	-2	1	429.257	3.508	40	10		IHCBML
O=C([O-])c1cccc(Cn2cc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)c3ccccc32)c1	ZINC000033696070	569259675	/nfs/dbraw/zinc/25/96/75/569259675.db2.gz	LWHKSYHVXUYEKK-HMAPJEAMSA-N	-2	1	437.455	3.849	40	10		IHCBML
Cc1[n-]n(-c2ccc(I)cc2)c(=O)c1C=Nc1cccc(C(=O)[O-])c1	ZINC000016160818	556586087	/nfs/dbraw/zinc/58/60/87/556586087.db2.gz	CIGCNXBEBMGXJY-YBEGLDIGSA-N	-2	1	447.232	3.708	40	10		IHCBML
O=C([O-])c1ccc(Cn2cc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)c3ccccc32)cc1	ZINC000034807107	569260014	/nfs/dbraw/zinc/26/00/14/569260014.db2.gz	RNSQXZAWJOZWNQ-HMAPJEAMSA-N	-2	1	437.455	3.849	40	10		IHCBML
CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(Cl)c(C(=O)[O-])c3)c2C)C(=O)[N-]C1=S	ZINC000059087103	557813785	/nfs/dbraw/zinc/81/37/85/557813785.db2.gz	YWYOVAMQQHCGKI-OVCLIPMQSA-N	-2	1	431.901	3.933	40	10		IHCBML