smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)c1ccc(Nc2ccc(N)c[nH+]2)cc1	ZINC000006855516	187249054	/nfs/dbraw/zinc/24/90/54/187249054.db2.gz	YJFQOSLOXZNUAJ-UHFFFAOYSA-N	1	2	241.338	3.705	10	10		BHCELO
CCCCc1ccc(Nc2ccc(N)c[nH+]2)cc1	ZINC000006856756	169022581	/nfs/dbraw/zinc/02/25/81/169022581.db2.gz	LUCUWPJMWMWVDY-UHFFFAOYSA-N	1	2	241.338	3.750	10	10		BHCELO
Nc1ccc(Nc2cccc3ccccc32)[nH+]c1	ZINC000008436652	372715097	/nfs/dbraw/zinc/71/50/97/372715097.db2.gz	JCNRCIBCZWKCNH-UHFFFAOYSA-N	1	2	235.290	3.561	10	10		BHCELO
CC(C)[N@@H+](Cc1ccccc1)c1ccc(N)cc1	ZINC000019272397	188280790	/nfs/dbraw/zinc/28/07/90/188280790.db2.gz	DSUFTMXBJFMZOI-UHFFFAOYSA-N	1	2	240.350	3.684	10	10		BHCELO
CC(C)[N@H+](Cc1ccccc1)c1ccc(N)cc1	ZINC000019272397	188280788	/nfs/dbraw/zinc/28/07/88/188280788.db2.gz	DSUFTMXBJFMZOI-UHFFFAOYSA-N	1	2	240.350	3.684	10	10		BHCELO
Cc1ccc([C@H](C)Nc2ccc([NH3+])cc2)s1	ZINC000042599527	178901420	/nfs/dbraw/zinc/90/14/20/178901420.db2.gz	NETCYIDWPGLSHU-JTQLQIEISA-N	1	2	232.352	3.812	10	10		BHCELO
Cc1ccccc1[C@@H](C)Nc1ccc([NH3+])cc1	ZINC000049525317	179323134	/nfs/dbraw/zinc/32/31/34/179323134.db2.gz	LMTMLJCOZYWFCL-GFCCVEGCSA-N	1	2	226.323	3.750	10	10		BHCELO
Cc1ccccc1[C@H](C)Nc1ccc([NH3+])cc1	ZINC000049525318	179340877	/nfs/dbraw/zinc/34/08/77/179340877.db2.gz	LMTMLJCOZYWFCL-LBPRGKRZSA-N	1	2	226.323	3.750	10	10		BHCELO
CCCN(Cc1ccsc1)c1ccc([NH3+])cc1	ZINC000063115874	169178549	/nfs/dbraw/zinc/17/85/49/169178549.db2.gz	WRDCFBWUGUDFRP-UHFFFAOYSA-N	1	2	246.379	3.747	10	10		BHCELO
CCCC[C@@H](C)[N@@H+](C)Cc1cccc(F)c1O	ZINC000310341089	632722836	/nfs/dbraw/zinc/72/28/36/632722836.db2.gz	DVOUTLXZKMSUHX-LLVKDONJSA-N	1	2	239.334	3.542	10	10		BHCELO
CCCC[C@@H](C)[N@H+](C)Cc1cccc(F)c1O	ZINC000310341089	632722831	/nfs/dbraw/zinc/72/28/31/632722831.db2.gz	DVOUTLXZKMSUHX-LLVKDONJSA-N	1	2	239.334	3.542	10	10		BHCELO
CCCC[C@H](C)[N@@H+](C)Cc1cccc(F)c1O	ZINC000310341090	632722741	/nfs/dbraw/zinc/72/27/41/632722741.db2.gz	DVOUTLXZKMSUHX-NSHDSACASA-N	1	2	239.334	3.542	10	10		BHCELO
CCCC[C@H](C)[N@H+](C)Cc1cccc(F)c1O	ZINC000310341090	632722739	/nfs/dbraw/zinc/72/27/39/632722739.db2.gz	DVOUTLXZKMSUHX-NSHDSACASA-N	1	2	239.334	3.542	10	10		BHCELO
C[C@@H]([NH3+])c1cc(-c2ccccc2)cc(Cl)c1O	ZINC000757145160	582528129	/nfs/dbraw/zinc/52/81/29/582528129.db2.gz	KUEDSIXKONXPBC-SECBINFHSA-N	1	2	247.725	3.732	10	10		BHCELO
C[C@H]([NH3+])c1cc(-c2ccccc2)cc(Cl)c1O	ZINC000757145175	582528141	/nfs/dbraw/zinc/52/81/41/582528141.db2.gz	KUEDSIXKONXPBC-VIFPVBQESA-N	1	2	247.725	3.732	10	10		BHCELO