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)CCCl	1473469	717087953	/nfs/dbraw/zinc/08/79/53/717087953.db2.gz	JUZXDNPBRPUIOR-UHFFFAOYSA-N	1	0	122.619	0.931	50	50	in-vivo	ACGARO
C[N+](C)(C)C[C@H](O)CCl	1682435	717089427	/nfs/dbraw/zinc/08/94/27/717089427.db2.gz	XIUCEANTZSXBQQ-ZCFIWIBFSA-N	1	0	152.645	0.292	50	50	in-vitro	ACGARO
C[N+](C)(C)C[C@@H](O)CCl	2027187	717093837	/nfs/dbraw/zinc/09/38/37/717093837.db2.gz	XIUCEANTZSXBQQ-LURJTMIESA-N	1	0	152.645	0.292	50	50	in-vitro	ACGARO
C[N+](C)(CBr)CCO	13822353	717110272	/nfs/dbraw/zinc/11/02/72/717110272.db2.gz	QUQWOKSZLAMGFA-UHFFFAOYSA-N	1	0	183.069	0.408	50	50		ACGARO
ClC[N+]12CCN(CC1)CC2	34513819	717124543	/nfs/dbraw/zinc/12/45/43/717124543.db2.gz	XXCCIDBYUOUQSL-UHFFFAOYSA-N	1	0	161.656	0.329	50	50		ACGARO
C[N+]12CCC(CC1)[C@](O)(C#N)C2	97951711	717141818	/nfs/dbraw/zinc/14/18/18/717141818.db2.gz	KNLSVSKQZVWBJW-YUCVTWSNSA-N	1	0	167.232	0.111	50	50		ACGARO
C[N+]12CCC(CC1)[C@@](O)(C#N)C2	97951712	717141946	/nfs/dbraw/zinc/14/19/46/717141946.db2.gz	KNLSVSKQZVWBJW-INWMGODYSA-N	1	0	167.232	0.111	50	50		ACGARO