smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)NC=O	32501085	717120555	/nfs/dbraw/zinc/12/05/55/717120555.db2.gz	OEDGKMAXVLFFFX-UHFFFAOYSA-O	1	0	103.145	-0.646	10	50		ABGERO
C[N+](C)(CCO)C[C@H](O)CCl	33607880	717121428	/nfs/dbraw/zinc/12/14/28/717121428.db2.gz	RAPPYHUXZBSYHZ-SSDOTTSWSA-N	1	0	182.671	-0.345	10	50		ABGERO
C[N+](C)(CCO)C[C@@H](O)CCl	33607878	717121486	/nfs/dbraw/zinc/12/14/86/717121486.db2.gz	RAPPYHUXZBSYHZ-ZETCQYMHSA-N	1	0	182.671	-0.345	10	50		ABGERO
Cl[C@H]1NCC[N+]12CCOCC2	39409810	717126627	/nfs/dbraw/zinc/12/66/27/717126627.db2.gz	DNZMOULZQMUHMJ-ZETCQYMHSA-N	1	0	177.655	-0.041	10	50		ABGERO
Cl[C@@H]1NCC[N+]12CCOCC2	39409808	717126775	/nfs/dbraw/zinc/12/67/75/717126775.db2.gz	DNZMOULZQMUHMJ-SSDOTTSWSA-N	1	0	177.655	-0.041	10	50		ABGERO
C[N+](C)(C)CC[C@@H](O)C#N	149598596	717153409	/nfs/dbraw/zinc/15/34/09/717153409.db2.gz	DKJYANBVRMMYJP-SSDOTTSWSA-N	1	0	143.210	-0.033	10	50		ABGERO
C[N+](C)(C)CC[C@H](O)C#N	149598474	717153635	/nfs/dbraw/zinc/15/36/35/717153635.db2.gz	DKJYANBVRMMYJP-ZETCQYMHSA-N	1	0	143.210	-0.033	10	50		ABGERO
C#[N+]CC(=O)NCCCNC=O	216710427	571936530	/nfs/dbraw/zinc/93/65/30/571936530.db2.gz	HXXTVGFVTPHAQE-UHFFFAOYSA-N	1	0	169.184	-0.842	10	50		ABGERO
C#[N+]CC(=O)N[C@@H](CC)CO	216708520	571937904	/nfs/dbraw/zinc/93/79/04/571937904.db2.gz	ALHAPERMGWXKDD-LURJTMIESA-N	1	0	156.185	-0.207	10	50		ABGERO