smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Cn1nnc(Cc2cccc(Br)c2)n1)N1CCNC(=O)C1	ZINC000159438019	530124980	/nfs/dbraw/zinc/12/49/80/530124980.db2.gz	YONGAGRTYINIDP-UHFFFAOYSA-N	0	0	379.218	-0.015	20	70		GBIDRN
NS(=O)(=O)CCN1CCN(C(=O)c2ccncc2Br)CC1	ZINC000159827602	530125471	/nfs/dbraw/zinc/12/54/71/530125471.db2.gz	HBUKZYHDLLYVDU-UHFFFAOYSA-N	0	0	377.264	-0.110	20	70		GBIDRN
NC(=O)[C@H](c1cccc(Br)c1)N1CCN2C(=O)C(=O)NC[C@@H]2C1	ZINC000161378591	530281028	/nfs/dbraw/zinc/28/10/28/530281028.db2.gz	CEMCLLVIPPWXPS-NEPJUHHUSA-N	0	0	381.230	-0.382	20	70		GBIDRN
NC(=O)[C@@H](c1cccc(Br)c1)N1CCN2C(=O)C(=O)NC[C@@H]2C1	ZINC000161378724	530281056	/nfs/dbraw/zinc/28/10/56/530281056.db2.gz	CEMCLLVIPPWXPS-VXGBXAGGSA-N	0	0	381.230	-0.382	20	70		GBIDRN
O=S(=O)(F)c1ccc(N2CCn3c(CN4CCOCC4)nnc3C2)nn1	ZINC001164681349	719586254	/nfs/dbraw/zinc/58/62/54/719586254.db2.gz	ZOFBNLKTMBWCIB-UHFFFAOYSA-N	0	0	383.409	-0.421	20	70		GBIDRN