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(=[NH2+])NC(=N)N1c1cccc(OCCCCOc2ccc(S(=O)(=O)F)cc2)c1	ZINC000043307531	563169365	/nfs/dbraw/zinc/16/93/65/563169365.db2.gz	UKJGVAVLXYRQCH-UHFFFAOYSA-N	1	0	463.535	2.768	1	70		JFIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(SCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043307683	563169443	/nfs/dbraw/zinc/16/94/43/563169443.db2.gz	IXTHTCMYVBLPCS-UHFFFAOYSA-N	1	0	498.993	2.915	1	70		JFIFRO
C[C@H](CC(=O)Nc1ccc(S(=O)(=O)F)cc1)c1ccc(N2C(=N)NC(=[NH2+])NC2(C)C)cc1	ZINC000043300336	563169303	/nfs/dbraw/zinc/16/93/03/563169303.db2.gz	YZCBVINJGMGRIK-CYBMUJFWSA-N	1	0	460.535	2.663	1	70		JFIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CNC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043300330	563169179	/nfs/dbraw/zinc/16/91/79/563169179.db2.gz	HTVVFAVFZIKPEW-UHFFFAOYSA-N	1	0	481.941	2.505	1	70		JFIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(Cl)c(OCCOc2ccc(S(=O)(=O)F)cc2)c1	ZINC000043307488	563169434	/nfs/dbraw/zinc/16/94/34/563169434.db2.gz	RPMBIWHGJLBLSV-UHFFFAOYSA-N	1	0	469.926	2.642	1	70		JFIFRO
C[C@H](Oc1ccc(N2C(=N)NC(=[NH2+])NC2(C)C)cc1Cl)C(=O)Nc1ccc(S(=O)(=O)F)cc1	ZINC000043300493	563169239	/nfs/dbraw/zinc/16/92/39/563169239.db2.gz	CXNYYWVBJTXBDX-NSHDSACASA-N	1	0	496.952	2.590	1	70		JFIFRO
Cc1cc(NC(=O)NCc2ccc(N3C(=N)NC(=[NH2+])NC3(C)C)cc2Cl)ccc1S(=O)(=O)F	ZINC000043860861	563171264	/nfs/dbraw/zinc/17/12/64/563171264.db2.gz	VDPAMMMMLLPCOC-UHFFFAOYSA-N	1	0	495.968	2.814	1	70		JFIFRO
C[C@@H](Oc1ccc(N2C(=N)NC(=[NH2+])NC2(C)C)cc1Cl)C(=O)Nc1ccc(S(=O)(=O)F)cc1	ZINC000043300495	563169327	/nfs/dbraw/zinc/16/93/27/563169327.db2.gz	CXNYYWVBJTXBDX-LLVKDONJSA-N	1	0	496.952	2.590	1	70		JFIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(SCC(=O)Nc2cccc(S(=O)(=O)F)c2)c(Cl)c1	ZINC000043300623	563169332	/nfs/dbraw/zinc/16/93/32/563169332.db2.gz	IOFVZTGJSKSWDZ-UHFFFAOYSA-N	1	0	498.993	2.915	1	70		JFIFRO