smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(S(=O)(=O)[O-])ccc1N=NC(=N[N-]c1ccc(S(=O)(=O)[O-])cc1OC)C(N)=O	ZINC000104226485	569843357	/nfs/dbraw/zinc/84/33/57/569843357.db2.gz	ZIDJEHPMQGWOSC-ALCYHSHISA-N	-3	1	487.472	1.192	40	30		JDEBML
C=CCN1C(=O)/C(=C/c2cc(I)c([O-])c([N+](=O)[O-])c2)C(=O)[N-]C1=S	ZINC000408902081	570069065	/nfs/dbraw/zinc/06/90/65/570069065.db2.gz	FJQKPXNEZOWACN-XBXARRHUSA-N	-2	1	459.221	1.718	40	30		JDEBML
C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(I)c2)C(=O)[N-]C1=S	ZINC000408901703	570068765	/nfs/dbraw/zinc/06/87/65/570068765.db2.gz	ALCJTXBVHSCSNH-UXBLZVDNSA-N	-2	1	472.260	1.567	40	30		JDEBML
C=CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])cc(I)c2[O-])C(=O)[N-]C1=S	ZINC000408902438	570069453	/nfs/dbraw/zinc/06/94/53/570069453.db2.gz	NQLDNCDYOYZYSO-WEVVVXLNSA-N	-2	1	459.221	1.718	40	30		JDEBML
COc1cc(S(=O)(=O)[O-])ccc1N=NC(=N[N-]c1ccc(S(=O)(=O)[O-])cc1OC)C(N)=O	ZINC000049780752	563203582	/nfs/dbraw/zinc/20/35/82/563203582.db2.gz	ZIDJEHPMQGWOSC-SSZLYDSASA-N	-3	1	487.472	1.192	40	30		JDEBML
COc1cc(S(=O)(=O)[O-])ccc1N=NC(=N[N-]c1ccc(S(=O)(=O)[O-])cc1OC)C(N)=O	ZINC000104226495	569843342	/nfs/dbraw/zinc/84/33/42/569843342.db2.gz	ZIDJEHPMQGWOSC-WMPBZCDFSA-N	-3	1	487.472	1.192	40	30		JDEBML
COc1cc(S(=O)(=O)[O-])ccc1N=NC(=N[N-]c1ccc(S(=O)(=O)[O-])cc1OC)C(N)=O	ZINC000104226489	569843425	/nfs/dbraw/zinc/84/34/25/569843425.db2.gz	ZIDJEHPMQGWOSC-XBGSEFDOSA-N	-3	1	487.472	1.192	40	30		JDEBML