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(=[NH2+])N1c1ccc(SCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043307683	563169444	/nfs/dbraw/zinc/16/94/44/563169444.db2.gz	IXTHTCMYVBLPCS-UHFFFAOYSA-N	2	2	498.993	2.915	1	70		JFIFLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(CNC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043300330	563169180	/nfs/dbraw/zinc/16/91/80/563169180.db2.gz	HTVVFAVFZIKPEW-UHFFFAOYSA-N	2	2	481.941	2.505	1	70		JFIFLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(Cl)c(OCCOc2ccc(S(=O)(=O)F)cc2)c1	ZINC000043307488	563169435	/nfs/dbraw/zinc/16/94/35/563169435.db2.gz	RPMBIWHGJLBLSV-UHFFFAOYSA-N	2	2	469.926	2.642	1	70		JFIFLP
C[C@H](Oc1ccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc1Cl)C(=O)Nc1ccc(S(=O)(=O)F)cc1	ZINC000043300493	563169240	/nfs/dbraw/zinc/16/92/40/563169240.db2.gz	CXNYYWVBJTXBDX-NSHDSACASA-N	2	2	496.952	2.590	1	70		JFIFLP
Cc1cc(NC(=O)NCc2ccc(N3C(=[NH2+])NC(=[NH2+])NC3(C)C)cc2Cl)ccc1S(=O)(=O)F	ZINC000043860861	563171266	/nfs/dbraw/zinc/17/12/66/563171266.db2.gz	VDPAMMMMLLPCOC-UHFFFAOYSA-N	2	2	495.968	2.814	1	70		JFIFLP
C[C@@H](Oc1ccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc1Cl)C(=O)Nc1ccc(S(=O)(=O)F)cc1	ZINC000043300495	563169328	/nfs/dbraw/zinc/16/93/28/563169328.db2.gz	CXNYYWVBJTXBDX-LLVKDONJSA-N	2	2	496.952	2.590	1	70		JFIFLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(SCC(=O)Nc2cccc(S(=O)(=O)F)c2)c(Cl)c1	ZINC000043300623	563169334	/nfs/dbraw/zinc/16/93/34/563169334.db2.gz	IOFVZTGJSKSWDZ-UHFFFAOYSA-N	2	2	498.993	2.915	1	70		JFIFLP