smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C=O)c(C)n1-c1ccccc1[NH+]1CCCCCC1	ZINC000008701904	170347255	/nfs/dbraw/zinc/34/72/55/170347255.db2.gz	BMWSYSMQUAUCMY-UHFFFAOYSA-N	1	2	296.414	4.287	40	10		CICBLO
Oc1c(Cl)cc(Cl)cc1C[NH2+]C1CCCCC1	ZINC000019879107	567879652	/nfs/dbraw/zinc/87/96/52/567879652.db2.gz	XMSSXBOVAWDLSY-UHFFFAOYSA-N	1	2	274.191	4.121	40	10		CICBLO
[NH3+]c1ccc(N2Cc3ccccc3-c3ccccc3C2)cc1	ZINC000005027585	170058003	/nfs/dbraw/zinc/05/80/03/170058003.db2.gz	MKOSDZPGYFFSBT-UHFFFAOYSA-N	1	2	286.378	4.456	40	10		CICBLO
Cc1ccc2cc3c(N)c4c(C)ccc(C)c4[nH+]c3nc2c1	ZINC000000421778	567929821	/nfs/dbraw/zinc/92/98/21/567929821.db2.gz	MLCOGORERKDZTI-UHFFFAOYSA-N	1	2	287.366	4.444	40	10		CICBLO
Cc1cc(C)c2c(c1)[nH+]ccc2Oc1ccc(N)cc1	ZINC000064875280	570392920	/nfs/dbraw/zinc/39/29/20/570392920.db2.gz	WKVFUHCRYLTIRZ-UHFFFAOYSA-N	1	2	264.328	4.226	40	10		CICBLO
Cc1ccc(-c2ccc(C)n2-c2ccc([NH+](C)C)cc2)o1	ZINC000228929917	570372920	/nfs/dbraw/zinc/37/29/20/570372920.db2.gz	ULFDXSMVGNNDSM-UHFFFAOYSA-N	1	2	280.371	4.420	40	10		CICBLO
Nc1ccc(CCc2[nH]c3cc4ccccc4cc3[nH+]2)cc1	ZINC000004245343	566984780	/nfs/dbraw/zinc/98/47/80/566984780.db2.gz	REGDEDHZMQMWAC-UHFFFAOYSA-N	1	2	287.366	4.084	40	10		CICBLO