smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1CC[C@@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)c2ccccc21	ZINC000159694382	524722446	/nfs/dbraw/zinc/72/24/46/524722446.db2.gz	SEAMYRDLXFCAHJ-MEBBXXQBSA-N	-1	0	350.378	1.980	10	70		FDIERM
CCc1cc(=O)n2nc(N(C)Cc3nc(=O)c4sccc4[n-]3)sc2n1	ZINC000160583461	524922008	/nfs/dbraw/zinc/92/20/08/524922008.db2.gz	OCZKZLZBUZXKKP-UHFFFAOYSA-N	-1	0	374.451	1.648	10	70		FDIERM
CC(C)c1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)CC2	ZINC000159378816	524655868	/nfs/dbraw/zinc/65/58/68/524655868.db2.gz	XUZNDMMXRNOMOZ-SNVBAGLBSA-N	-1	0	356.398	1.973	10	70		FDIERM
CCC[C@@H](NC(=O)CCc1c(C)nc(C)[nH]c1=O)C(=O)OC(C)(C)C	ZINC000161331780	525083320	/nfs/dbraw/zinc/08/33/20/525083320.db2.gz	VFXCCEOCTWYUAN-CQSZACIVSA-N	-1	0	351.447	1.946	10	70		FDIERM
CC(C)c1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)CC2	ZINC000159378934	524656359	/nfs/dbraw/zinc/65/63/59/524656359.db2.gz	XUZNDMMXRNOMOZ-JTQLQIEISA-N	-1	0	356.398	1.973	10	70		FDIERM
Cc1c(CS(=O)(=O)c2nc3ccccc3[n-]2)nccc1S(C)(=O)=O	ZINC000218394962	537463057	/nfs/dbraw/zinc/46/30/57/537463057.db2.gz	QQCSDGJNWMIXOY-UHFFFAOYSA-N	-1	0	365.436	1.644	10	70		FDIERM
CC(C)(C)OC(=O)N1CCC(CNC(=O)CCc2cc(=O)[n-]o2)CC1	ZINC000217883015	537456938	/nfs/dbraw/zinc/45/69/38/537456938.db2.gz	GYSPSLAAGTYOGH-UHFFFAOYSA-N	-1	0	353.419	1.664	10	70		FDIERM
CC1(C)C[C@@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)c2ccccc2O1	ZINC000159786729	524739721	/nfs/dbraw/zinc/73/97/21/524739721.db2.gz	MCQMTNYTDTXLEB-CYBMUJFWSA-N	-1	0	366.377	1.644	10	70		FDIERM
CC1(C)C[C@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)c2ccccc2O1	ZINC000159786596	524739281	/nfs/dbraw/zinc/73/92/81/524739281.db2.gz	MCQMTNYTDTXLEB-ZDUSSCGKSA-N	-1	0	366.377	1.644	10	70		FDIERM
C[C@H]1CC[C@@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)c2ccccc21	ZINC000159694523	524722908	/nfs/dbraw/zinc/72/29/08/524722908.db2.gz	SEAMYRDLXFCAHJ-ZUZCIYMTSA-N	-1	0	350.378	1.980	10	70		FDIERM
C[C@@H]1CC[C@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)c2ccccc21	ZINC000159694113	524723213	/nfs/dbraw/zinc/72/32/13/524723213.db2.gz	SEAMYRDLXFCAHJ-BMIGLBTASA-N	-1	0	350.378	1.980	10	70		FDIERM
C[C@H]1CC[C@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)c2ccccc21	ZINC000159694256	524722546	/nfs/dbraw/zinc/72/25/46/524722546.db2.gz	SEAMYRDLXFCAHJ-BONVTDFDSA-N	-1	0	350.378	1.980	10	70		FDIERM
CCC[C@H](NC(=O)CCc1c(C)nc(C)[nH]c1=O)C(=O)OC(C)(C)C	ZINC000161331656	525082512	/nfs/dbraw/zinc/08/25/12/525082512.db2.gz	VFXCCEOCTWYUAN-AWEZNQCLSA-N	-1	0	351.447	1.946	10	70		FDIERM