smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)NC(=N)NC(=N)N1c1ccc(SCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043307683	563169445	/nfs/dbraw/zinc/16/94/45/563169445.db2.gz	IXTHTCMYVBLPCS-UHFFFAOYSA-N	0	3	498.993	2.915	1	70		JFIFHN
CC1(C)NC(=N)NC(=N)N1c1ccc(Cl)c(OCCOc2ccc(S(=O)(=O)F)cc2)c1	ZINC000043307488	563169436	/nfs/dbraw/zinc/16/94/36/563169436.db2.gz	RPMBIWHGJLBLSV-UHFFFAOYSA-N	0	3	469.926	2.642	1	70		JFIFHN
C[C@H](Oc1ccc(N2C(=N)NC(=N)NC2(C)C)cc1Cl)C(=O)Nc1ccc(S(=O)(=O)F)cc1	ZINC000043300493	563169241	/nfs/dbraw/zinc/16/92/41/563169241.db2.gz	CXNYYWVBJTXBDX-NSHDSACASA-N	0	3	496.952	2.590	1	70		JFIFHN
C[C@@H](Oc1ccc(N2C(=N)NC(=N)NC2(C)C)cc1Cl)C(=O)Nc1ccc(S(=O)(=O)F)cc1	ZINC000043300495	563169330	/nfs/dbraw/zinc/16/93/30/563169330.db2.gz	CXNYYWVBJTXBDX-LLVKDONJSA-N	0	3	496.952	2.590	1	70		JFIFHN
CC1(C)NC(=N)NC(=N)N1c1ccc(SCC(=O)Nc2cccc(S(=O)(=O)F)c2)c(Cl)c1	ZINC000043300623	563169335	/nfs/dbraw/zinc/16/93/35/563169335.db2.gz	IOFVZTGJSKSWDZ-UHFFFAOYSA-N	0	3	498.993	2.915	1	70		JFIFHN