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+](C)(CC)CCl	1590646	717088632	/nfs/dbraw/zinc/08/86/32/717088632.db2.gz	ICESZBXXQMWBIB-UHFFFAOYSA-N	1	0	136.646	1.669	40	50		ADGBRO
C[N+](C)(CCCl)CCCl	1672791	717089156	/nfs/dbraw/zinc/08/91/56/717089156.db2.gz	KHZJDGIUHKROEA-UHFFFAOYSA-N	1	0	171.091	1.540	40	50		ADGBRO
C[N+](C)(CCCl)CCC#N	1720074	717089433	/nfs/dbraw/zinc/08/94/33/717089433.db2.gz	GQNFAACTKUMCNZ-UHFFFAOYSA-N	1	0	161.656	1.215	40	50		ADGBRO
CC(=O)N[N+](C)(C)Cc1ccccc1	1761891	717089896	/nfs/dbraw/zinc/08/98/96/717089896.db2.gz	FKCSZUWAUBGQLA-UHFFFAOYSA-O	1	0	193.270	1.314	40	50		ADGBRO
ClCC[N+]1(CCCl)CCCO1	1758969	717090141	/nfs/dbraw/zinc/09/01/41/717090141.db2.gz	PKFHCHMEKXBANJ-UHFFFAOYSA-N	1	0	199.101	1.616	40	50		ADGBRO
C[N+](C)(C)CBr	1871185	717090957	/nfs/dbraw/zinc/09/09/57/717090957.db2.gz	OBKKHZSPRHLGRX-UHFFFAOYSA-N	1	0	153.043	1.045	40	50		ADGBRO
C[N+]1(CCl)CCCCC1	4099391	717097821	/nfs/dbraw/zinc/09/78/21/717097821.db2.gz	HQHXUSKGSSTPFI-UHFFFAOYSA-N	1	0	148.657	1.813	40	50		ADGBRO
C#CC[N+](C)(C)CCBr	22058131	717112797	/nfs/dbraw/zinc/11/27/97/717112797.db2.gz	NRJPNMHROBOCTQ-UHFFFAOYSA-N	1	0	191.092	1.091	40	50	in-vitro	ADGBRO