smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-n2c[nH+]c3cc(NCc4ccc(CN5CC[NH+](C)CC5)cc4)ccc32)cc1	ZINC000095582533	563187989	/nfs/dbraw/zinc/18/79/89/563187989.db2.gz	DZWCFPPLSDCFPY-UHFFFAOYSA-N	2	2	441.579	4.394	1	10		IICFLP
COc1ccc(-n2c[nH+]c3cc(NCc4ccc(C[NH+]5CCN(C)CC5)cc4)ccc32)cc1	ZINC000095582533	563187990	/nfs/dbraw/zinc/18/79/90/563187990.db2.gz	DZWCFPPLSDCFPY-UHFFFAOYSA-N	2	2	441.579	4.394	1	10		IICFLP
C[N+](C)=[N+]=Nc1ccc2c(c1)[nH+]c1ccccc1c2Nc1ccc(NS(C)(=O)=O)cc1	ZINC000040457158	563103793	/nfs/dbraw/zinc/10/37/93/563103793.db2.gz	FPQMLJDRTAEFLR-UHFFFAOYSA-N	3	2	434.525	4.378	1	10		IICFLP
COc1ccc(-n2c[nH+]c3cc(NCc4ccc(C[NH+]5CCOCC5)cc4)ccc32)cc1	ZINC000095583140	563188235	/nfs/dbraw/zinc/18/82/35/563188235.db2.gz	YZKVTEZVSQYKMP-UHFFFAOYSA-N	2	2	428.536	4.478	1	10		IICFLP
Oc1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1C[NH+]1CCN(c2ccncn2)CC1	ZINC000045288155	563128554	/nfs/dbraw/zinc/12/85/54/563128554.db2.gz	NBMKXKHRZJDJHI-UHFFFAOYSA-N	2	2	446.942	4.450	1	10		IICFLP
[NH3+]CCCS(=O)(=O)c1ccc(Nc2c3ccccc3[nH+]c3cc([N+](=O)[O-])ccc32)cc1	ZINC000028016101	563049882	/nfs/dbraw/zinc/04/98/82/563049882.db2.gz	CBXFTPWXCIWFFV-UHFFFAOYSA-N	2	2	436.493	4.162	1	10		IICFLP