smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1C	ZINC000169325746	188658683	/nfs/dbraw/zinc/65/86/83/188658683.db2.gz	QSVZJSGMIIWWFP-VHEBQXMUSA-N	-1	0	292.342	4.198	1	10		CICFRM
CC(/C=C/c1ccc(N(C)C)cc1)=C\C=C\C(C)=C\C(=O)[O-]	ZINC000066079764	519346830	/nfs/dbraw/zinc/34/68/30/519346830.db2.gz	LAOROPNYOXOMIR-ADHQSYCPSA-N	-1	0	297.398	4.299	1	10		CICFRM
O=C([O-])C1=Cc2ccccc2C(=NNc2cccnc2)C1=O	ZINC000006045806	170171901	/nfs/dbraw/zinc/17/19/01/170171901.db2.gz	WSKXEBUDSIDPQH-VHEBQXMUSA-N	-1	0	293.282	4.054	1	10		CICFRM
CC1=CC(=NNc2ccccc2C(=O)[O-])C=C(C)C1=O	ZINC000016051511	170686557	/nfs/dbraw/zinc/68/65/57/170686557.db2.gz	ZMDQWZFZPGJFPM-MSUUIHNZSA-N	-1	0	270.288	4.123	1	10	in-vitro	CICFRM
Cc1ccc(C)n1-c1ccc(-c2ccccc2)c(C(=O)[O-])c1	ZINC000045353839	175362093	/nfs/dbraw/zinc/36/20/93/175362093.db2.gz	AOSXCWNCDIBJQC-UHFFFAOYSA-N	-1	0	291.350	4.459	1	10		CICFRM