smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Fc1ccccc1-c1cnc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)o1	ZINC000159626901	526405619	/nfs/dbraw/zinc/40/56/19/526405619.db2.gz	DBFGQIQNCBFDTR-JKSUJKDBSA-N	1	2	316.376	3.624	10	70		DHIELO
Fc1ccccc1-c1cnc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)o1	ZINC000159626901	526405622	/nfs/dbraw/zinc/40/56/22/526405622.db2.gz	DBFGQIQNCBFDTR-JKSUJKDBSA-N	1	2	316.376	3.624	10	70		DHIELO
Fc1ccccc1-c1cnc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)o1	ZINC000159626746	526405714	/nfs/dbraw/zinc/40/57/14/526405714.db2.gz	DBFGQIQNCBFDTR-HOTGVXAUSA-N	1	2	316.376	3.624	10	70		DHIELO
Fc1ccccc1-c1cnc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)o1	ZINC000159626746	526405717	/nfs/dbraw/zinc/40/57/17/526405717.db2.gz	DBFGQIQNCBFDTR-HOTGVXAUSA-N	1	2	316.376	3.624	10	70		DHIELO
COC(=O)c1ccc(CSCc2[nH+]ccn2C(C)C)s1	ZINC000159829566	522050742	/nfs/dbraw/zinc/05/07/42/522050742.db2.gz	MHDLFWCKBSLOGE-UHFFFAOYSA-N	1	2	310.444	3.746	10	70		DHIELO
CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C1CCC(C)(C)CC1)C2	ZINC000160334801	332785702	/nfs/dbraw/zinc/78/57/02/332785702.db2.gz	XPRSQXNRIWAYGP-UHFFFAOYSA-N	1	2	317.477	3.645	10	70		DHIELO
FC(F)(F)c1nnc(Nc2ccc3c(c2)CCC[NH2+]3)s1	ZINC000160368377	527691004	/nfs/dbraw/zinc/69/10/04/527691004.db2.gz	ZFWBIYVNVJGJEJ-UHFFFAOYSA-N	1	2	300.309	3.659	10	70		DHIELO
CC(C)n1cc[nH+]c1C[S@](=O)c1ncc(C(C)(C)C)s1	ZINC000160527842	332814791	/nfs/dbraw/zinc/81/47/91/332814791.db2.gz	CEWFSCRCWLTBSB-HXUWFJFHSA-N	1	2	311.476	3.526	10	70		DHIELO
Cc1ccc(-c2nnc([C@H](C)[NH+]3C[C@@H](C)O[C@H](C)C3)o2)cc1C	ZINC000160463046	525861025	/nfs/dbraw/zinc/86/10/25/525861025.db2.gz	CALNXSIPHPBEPL-KFWWJZLASA-N	1	2	315.417	3.524	10	70		DHIELO