smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc[nH+]c(NC=C2C(=O)NC(=S)NC2=O)c1	ZINC000002336509	347966420	/nfs/dbraw/zinc/96/64/20/347966420.db2.gz	BJRUSGCAUCPXHW-UHFFFAOYSA-N	1	2	262.294	0.217	50	10		CCCALO
C[NH+](C)c1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1	ZINC000006024789	170169159	/nfs/dbraw/zinc/16/91/59/170169159.db2.gz	GKIDKXVMGYNKFO-UHFFFAOYSA-N	1	2	290.348	0.579	50	10		CCCALO
COc1ccc(N2CC[NH+]([C@@H](C)C(N)=O)CC2)cc1	ZINC000057322007	348607420	/nfs/dbraw/zinc/60/74/20/348607420.db2.gz	SEOKZSCKQFTMPB-NSHDSACASA-N	1	2	263.341	0.691	50	10		CCCALO
CC1=C(C(N)=O)[C@H](c2ccc(N(C)C)cc2)N2NC=NC2=[NH+]1	ZINC000004193625	388758965	/nfs/dbraw/zinc/75/89/65/388758965.db2.gz	MVBFWJXRPYFYLT-ZDUSSCGKSA-N	1	2	298.350	0.771	50	10		CCCALO
Cc1ccc(NC=C2C(=O)N(C)C(=O)N(C)C2=O)[nH+]c1	ZINC000004058513	280915512	/nfs/dbraw/zinc/91/55/12/280915512.db2.gz	FOQQTJLYFHHEML-UHFFFAOYSA-N	1	2	274.280	0.736	50	10		CCCALO
COc1ccc(N2CC[NH+]([C@H](C)C(N)=O)CC2)cc1	ZINC000057322009	348607362	/nfs/dbraw/zinc/60/73/62/348607362.db2.gz	SEOKZSCKQFTMPB-LLVKDONJSA-N	1	2	263.341	0.691	50	10		CCCALO
CC1=C(C(N)=O)[C@@H](c2ccc(N(C)C)cc2)N2NC=NC2=[NH+]1	ZINC000004193626	388759067	/nfs/dbraw/zinc/75/90/67/388759067.db2.gz	MVBFWJXRPYFYLT-CYBMUJFWSA-N	1	2	298.350	0.771	50	10		CCCALO
Cc1cc(C)[nH+]c(NC=C2C(=O)NC(=S)NC2=O)c1	ZINC000010272053	388767132	/nfs/dbraw/zinc/76/71/32/388767132.db2.gz	PGRYVCBIPYNKDO-UHFFFAOYSA-N	1	2	276.321	0.525	50	10		CCCALO
Cc1ccc(NC=C2C(=O)NC(=S)NC2=O)[nH+]c1	ZINC000012622417	348020404	/nfs/dbraw/zinc/02/04/04/348020404.db2.gz	HSZRXEOHJULTFL-UHFFFAOYSA-N	1	2	262.294	0.217	50	10		CCCALO
NC(=O)C[NH+]1CCN(c2ccc3c(c2)OCO3)CC1	ZINC000054281456	348548043	/nfs/dbraw/zinc/54/80/43/348548043.db2.gz	QZXIWMGEMDVVAN-UHFFFAOYSA-N	1	2	263.297	0.023	50	10		CCCALO
C[NH+](C)c1ccc(NC=C2C(=O)NC(=O)NC2=O)cc1	ZINC000017174008	348053387	/nfs/dbraw/zinc/05/33/87/348053387.db2.gz	QREUETLOROWYMU-UHFFFAOYSA-N	1	2	274.280	0.414	50	10		CCCALO
COc1ccc(N2CC[NH+]([C@@H]3CC(=O)NC3=O)CC2)cc1	ZINC000000547588	347950082	/nfs/dbraw/zinc/95/00/82/347950082.db2.gz	DVPJJAJTEQNCGC-CYBMUJFWSA-N	1	2	289.335	0.232	50	10		CCCALO
COc1ccc(N2CC[NH+]([C@H]3CC(=O)NC3=O)CC2)cc1	ZINC000020057716	348075660	/nfs/dbraw/zinc/07/56/60/348075660.db2.gz	DVPJJAJTEQNCGC-ZDUSSCGKSA-N	1	2	289.335	0.232	50	10		CCCALO
CNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000012591019	348019764	/nfs/dbraw/zinc/01/97/64/348019764.db2.gz	IWYMEROEIAHHKO-GFCCVEGCSA-N	1	2	277.368	0.952	50	10		CCCALO
CNC(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000012591025	348019802	/nfs/dbraw/zinc/01/98/02/348019802.db2.gz	IWYMEROEIAHHKO-LBPRGKRZSA-N	1	2	277.368	0.952	50	10		CCCALO
Cc1cc(C)[nH+]c(NC=C2C(=O)NC(=O)NC2=O)c1	ZINC000010272052	388767433	/nfs/dbraw/zinc/76/74/33/388767433.db2.gz	HMDHQMMLSZJBNV-UHFFFAOYSA-N	1	2	260.253	0.360	50	10		CCCALO