smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=O)C(C#N)=c1sc(=C2SC(=O)[N-]C2=O)c(=O)n1-c1ccccc1	ZINC000004540087	570851486	/nfs/dbraw/zinc/85/14/86/570851486.db2.gz	MKLHQVCQZBAUFE-DRUYEIKASA-N	-1	1	386.414	-0.590	50	30		GBEAMM
O=C1[N-]C(=S)NC(=O)/C1=N/Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000006017155	570464411	/nfs/dbraw/zinc/46/44/11/570464411.db2.gz	AWYYCRBQSJWMQB-UHFFFAOYSA-N	-1	1	397.438	-0.153	50	30		GBEAMM
O=C1[N-]C(=S)NC(=O)/C1=N\Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000006017155	570464406	/nfs/dbraw/zinc/46/44/06/570464406.db2.gz	AWYYCRBQSJWMQB-UHFFFAOYSA-N	-1	1	397.438	-0.153	50	30		GBEAMM
O=C1[N-]C(=S)NC(=O)/C1=N\Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000009090390	209248010	/nfs/dbraw/zinc/24/80/10/209248010.db2.gz	AIUUDBRPCHCOTG-UHFFFAOYSA-N	-1	1	397.438	-0.153	50	30		GBEAMM
O=C1[N-]C(=S)NC(=O)/C1=N/Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000009090390	209248006	/nfs/dbraw/zinc/24/80/06/209248006.db2.gz	AIUUDBRPCHCOTG-UHFFFAOYSA-N	-1	1	397.438	-0.153	50	30		GBEAMM
CS(=O)(=O)N(CCC#N)Cc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)o1	ZINC000096234491	533378974	/nfs/dbraw/zinc/37/89/74/533378974.db2.gz	KEEIJYGHPAYKOL-UHFFFAOYSA-N	-1	1	382.423	-0.131	50	30		GBEAMM