smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@H+](CCCn1c(=O)c2cc(OC)c(OC)cc2n(CC(=O)[O-])c1=O)c1ccccc1	ZINC000073658895	521041975	/nfs/dbraw/zinc/04/19/75/521041975.db2.gz	KUBIPRLYKFREES-UHFFFAOYSA-N	0	2	441.484	2.182	10	0		IEAELN
CC[N@@H+](CCCn1c(=O)c2cc(OC)c(OC)cc2n(CC(=O)[O-])c1=O)c1ccccc1	ZINC000073658895	521041985	/nfs/dbraw/zinc/04/19/85/521041985.db2.gz	KUBIPRLYKFREES-UHFFFAOYSA-N	0	2	441.484	2.182	10	0		IEAELN
CCCCNC(=O)C[NH+]1CCN(c2ncc(NC(=O)c3ccccc3)cc2C(=O)[O-])CC1	ZINC000064979033	569078005	/nfs/dbraw/zinc/07/80/05/569078005.db2.gz	UCGIIABOSRDSIQ-UHFFFAOYSA-N	0	2	439.516	2.070	10	0		IEAELN
CC(C)(C)NC(=O)C[NH+]1CCN(c2ncc(NC(=O)c3cccs3)cc2C(=O)[O-])CC1	ZINC000064979056	569078062	/nfs/dbraw/zinc/07/80/62/569078062.db2.gz	GJYNFLNITVLVQU-UHFFFAOYSA-N	0	2	445.545	2.130	10	0		IEAELN
O=C([O-])COc1cc(C(F)(F)F)nc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)n1	ZINC000073709379	527616023	/nfs/dbraw/zinc/61/60/23/527616023.db2.gz	XDZATYSVUOTKHL-UHFFFAOYSA-N	0	2	440.378	2.010	10	0		IEAELN
Cc1[nH+]c[nH]c1CN1CCN(C(=O)N[C@@H](CC(C)C)C(=O)[O-])[C@@H](Cc2ccccc2)C1=O	ZINC000034630977	563086614	/nfs/dbraw/zinc/08/66/14/563086614.db2.gz	COLCNDRDBCLVOC-ICSRJNTNSA-N	0	2	441.532	2.183	10	0		IEAELN
CC(C)(C)c1cc(OCC(=O)[O-])nc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)n1	ZINC000073709389	519004894	/nfs/dbraw/zinc/00/48/94/519004894.db2.gz	HIQNISHIUCOOGP-UHFFFAOYSA-N	0	2	428.489	2.288	10	0		IEAELN
CC(C)OCCCn1c(=O)c2ccccc2nc1SCc1cc(=O)n2nc[nH]c2n1	ZINC000101891551	557305863	/nfs/dbraw/zinc/30/58/63/557305863.db2.gz	IENCMPNHVLPJGX-UHFFFAOYSA-N	0	2	426.502	2.235	10	0		IEAELN