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([O-])C[C@@H](NC(=O)C(F)(F)F)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000001642794	209335141	/nfs/dbraw/zinc/33/51/41/209335141.db2.gz	XCSNMNASSJFQBX-NXEZZACHSA-N	-2	1	392.286	0.026	1	0		GCAFML
Nc1ncnc2c1nc(C(=O)NC[P@](=O)([O-])O)n2CCc1ccccc1	ZINC000040943540	205075290	/nfs/dbraw/zinc/07/52/90/205075290.db2.gz	IMNZTFPMRBKJHT-UHFFFAOYSA-N	-2	1	376.313	0.516	1	0		GCAFML
CCN(CC)c1nc(N)nc2c1ncn2C[C@@H](CF)OCP(=O)([O-])[O-]	ZINC000071319172	211044946	/nfs/dbraw/zinc/04/49/46/211044946.db2.gz	YUGPVYOFDUMEBM-SECBINFHSA-N	-2	1	376.329	0.745	1	0		GCAFML
Nc1nc2c(ncn2CCCCC[P@](=O)([O-])C[P@](=O)([O-])O)c(=O)[nH]1	ZINC000001533468	581100109	/nfs/dbraw/zinc/10/01/09/581100109.db2.gz	IANVADXKYSDKCZ-UHFFFAOYSA-N	-2	1	379.250	0.278	1	0		GCAFML
O=C([O-])C[C@H](NC(=O)C(F)(F)F)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000001642796	209335872	/nfs/dbraw/zinc/33/58/72/209335872.db2.gz	XCSNMNASSJFQBX-VHSXEESVSA-N	-2	1	392.286	0.026	1	0		GCAFML
Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)O1	ZINC000013523987	560218606	/nfs/dbraw/zinc/21/86/06/560218606.db2.gz	QYFSANXOEHYVFG-NKWVEPMBSA-N	-2	1	395.205	0.312	1	0	in-vitro	GCAFML
Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)O1	ZINC000013523987	560218607	/nfs/dbraw/zinc/21/86/07/560218607.db2.gz	QYFSANXOEHYVFG-NKWVEPMBSA-N	-2	1	395.205	0.312	1	0	in-vitro	GCAFML
Cc1ncc(COP(=O)([O-])[O-])c(C[NH2+]CCCC[C@H]([NH3+])C(=O)[O-])c1[O-]	ZINC000006389756	560205621	/nfs/dbraw/zinc/20/56/21/560205621.db2.gz	FIXMYVJXXYQYGI-LBPRGKRZSA-N	-2	1	377.334	0.377	1	0	in-vitro	GCAFML
C[C@H](N[C@H](CCC(=O)Nc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000013599934	209234709	/nfs/dbraw/zinc/23/47/09/209234709.db2.gz	WURJETPEVFGNGA-CFVMTHIKSA-N	-2	1	391.424	0.912	1	0		GCAFML
Nc1nc2c(ncn2CCCCCC[P@](=O)([O-])C[P@](=O)([O-])O)c(=O)[nH]1	ZINC000001533470	206385946	/nfs/dbraw/zinc/38/59/46/206385946.db2.gz	RRFKVYQFHHGRKK-UHFFFAOYSA-N	-2	1	393.277	0.668	1	0		GCAFML
O=C([O-])C[C@@H](NC(=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000001642793	206389197	/nfs/dbraw/zinc/38/91/97/206389197.db2.gz	XCSNMNASSJFQBX-ZJUUUORDSA-N	-2	1	392.286	0.026	1	0		GCAFML
CCN(CC)c1nc(N)nc2c1ncn2C[C@H](CF)OCP(=O)([O-])[O-]	ZINC000071317687	222180065	/nfs/dbraw/zinc/18/00/65/222180065.db2.gz	YUGPVYOFDUMEBM-VIFPVBQESA-N	-2	1	376.329	0.745	1	0		GCAFML
O=C([O-])C[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000001642795	206389287	/nfs/dbraw/zinc/38/92/87/206389287.db2.gz	XCSNMNASSJFQBX-UWVGGRQHSA-N	-2	1	392.286	0.026	1	0		GCAFML
C[C@H](N[C@@H](CCC(=O)Nc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000013599932	206294451	/nfs/dbraw/zinc/29/44/51/206294451.db2.gz	WURJETPEVFGNGA-QEJZJMRPSA-N	-2	1	391.424	0.912	1	0		GCAFML