smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C=NNc2nnc(SCC(=O)c3ccc(Br)cc3)[n-]2)o1	ZINC000020407308	558360414	/nfs/dbraw/zinc/36/04/14/558360414.db2.gz	JOINUTXVEJBNNB-QGMBQPNBSA-N	-1	1	420.292	3.890	10	30		HHEEMM
CC(N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])c1ccccn1	ZINC000038199954	518453988	/nfs/dbraw/zinc/45/39/88/518453988.db2.gz	MHGSJPBZOMXVPC-STZFKDTASA-N	-1	1	411.443	3.627	10	30		HHEEMM
C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)[N-]C1=S	ZINC000001202005	518826053	/nfs/dbraw/zinc/82/60/53/518826053.db2.gz	CGRMEMHDYZZUCJ-GXDHUFHOSA-N	-1	1	417.284	3.522	10	30		HHEEMM
C=CCc1cccc(CN=Nc2n[n-]c(SCC(=O)c3cccc(OC)c3)n2)c1O	ZINC000020274075	558353229	/nfs/dbraw/zinc/35/32/29/558353229.db2.gz	HYCYWBAIHGKGGD-WSDLNYQXSA-N	-1	1	423.498	3.668	10	30		HHEEMM
[O-]c1cc(O)c(/C=N/N/C(=N/c2ccccc2)c2ccccn2)cc1Br	ZINC000004421702	558534591	/nfs/dbraw/zinc/53/45/91/558534591.db2.gz	ILYCCISEMMOQAB-WSDLNYQXSA-N	-1	1	411.259	3.957	10	30		HHEEMM
CC(N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])c1cccnc1	ZINC000033617049	518453785	/nfs/dbraw/zinc/45/37/85/518453785.db2.gz	KBGZWLMVJSNVOT-STZFKDTASA-N	-1	1	411.443	3.627	10	30		HHEEMM
C=CCn1c(SCC(=O)[N-]C(=O)c2ccc(Cl)cc2)nnc1-c1ccoc1C	ZINC000023873388	519204666	/nfs/dbraw/zinc/20/46/66/519204666.db2.gz	IYSXCRYDDNIOCM-UHFFFAOYSA-N	-1	1	416.890	3.735	10	30		HHEEMM
C=CCN1C(=O)C(=Cc2ccc(-c3ccc(C(=O)OCC)cc3)o2)C(=O)[N-]C1=S	ZINC000020169020	569018652	/nfs/dbraw/zinc/01/86/52/569018652.db2.gz	VBVXYCLTJZBRAJ-FOWTUZBSSA-N	-1	1	410.451	3.776	10	30		HHEEMM