smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C/C(=N\N=C1\NC(=O)C(CC(=O)Nc2ccc(C(=O)[O-])cc2)S1)c1ccc(Cl)cc1	ZINC000020157557	556993430	/nfs/dbraw/zinc/99/34/30/556993430.db2.gz	NUAKZZSTTGEFEJ-PZLKWIMZSA-N	-1	2	444.900	3.379	50	30		IGEALM
C/C(=N\N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)S1)c1ccc(Cl)cc1	ZINC000020157557	556993432	/nfs/dbraw/zinc/99/34/32/556993432.db2.gz	NUAKZZSTTGEFEJ-PZLKWIMZSA-N	-1	2	444.900	3.379	50	30		IGEALM
C/C(=N\N=C1\NC(=O)C(CC(=O)Nc2ccc(C(=O)[O-])cc2)S1)c1ccc(Cl)cc1	ZINC000020157555	556993403	/nfs/dbraw/zinc/99/34/03/556993403.db2.gz	NUAKZZSTTGEFEJ-JKHIYUEESA-N	-1	2	444.900	3.379	50	30		IGEALM
C/C(=N\N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)S1)c1ccc(Cl)cc1	ZINC000020157555	556993405	/nfs/dbraw/zinc/99/34/05/556993405.db2.gz	NUAKZZSTTGEFEJ-JKHIYUEESA-N	-1	2	444.900	3.379	50	30		IGEALM
O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(S(=O)(=O)[N-]c3ccc(Cl)nn3)cc2)c1	ZINC000006101544	568825378	/nfs/dbraw/zinc/82/53/78/568825378.db2.gz	FSDJZZZQHXKRDN-VXLYETTFSA-N	-1	2	433.833	3.295	50	30		IGEALM
O=C([O-])c1ccc(NC(=O)CC2S/C(=N\N=C3/CCCc4ccccc43)NC2=O)cc1	ZINC000009763091	569566554	/nfs/dbraw/zinc/56/65/54/569566554.db2.gz	BFFFNDZZNQBJEN-UPMNJHNBSA-N	-1	2	436.493	3.042	50	30		IGEALM
O=C([O-])c1ccc(NC(=O)C[C@H]2S/C(=N\N=C3/CCCc4ccccc43)NC2=O)cc1	ZINC000009763091	569566555	/nfs/dbraw/zinc/56/65/55/569566555.db2.gz	BFFFNDZZNQBJEN-UPMNJHNBSA-N	-1	2	436.493	3.042	50	30		IGEALM
O=c1oc2ccccc2c([O-])c1C=Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000102814937	557393507	/nfs/dbraw/zinc/39/35/07/557393507.db2.gz	SVKXKQBWGJJZHP-PTNGSMBKSA-N	-1	2	427.463	3.042	50	30		IGEALM