smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc2c(ncn2Cc2ccccc2OCP(=O)([O-])[O-])c(=O)[nH]1	ZINC000002014094	204024120	/nfs/dbraw/zinc/02/41/20/204024120.db2.gz	AFCDMNPLNJGIQN-UHFFFAOYSA-N	-2	1	351.259	0.264	1	0		FCAFML
Nc1ncnc2c1ncn2C[C@H](OCP(=O)([O-])[O-])Oc1ccccc1	ZINC000005939127	204230540	/nfs/dbraw/zinc/23/05/40/204230540.db2.gz	SHPUIWGGRSXKHJ-LLVKDONJSA-N	-2	1	365.286	0.965	1	0		FCAFML
Nc1nc2c(ncn2CCOCP(=O)([O-])[O-])c(NCC(F)(F)F)n1	ZINC000003639628	204109101	/nfs/dbraw/zinc/10/91/01/204109101.db2.gz	VFOXDAHCGDXOMK-UHFFFAOYSA-N	-2	1	370.228	0.535	1	0		FCAFML
C[C@H](N[C@@H](CCc1ccc(O)cc1)C(=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000003814183	204111929	/nfs/dbraw/zinc/11/19/29/204111929.db2.gz	GXMFOLDKCVCVLH-CQDKDKBSSA-N	-2	1	364.398	0.832	1	0		FCAFML
Nc1nc2c(ncn2CCO[C@H](c2ccccc2)P(=O)([O-])[O-])c(N)n1	ZINC000003593609	204107913	/nfs/dbraw/zinc/10/79/13/204107913.db2.gz	BMKRRDOLNYLTAX-ZDUSSCGKSA-N	-2	1	364.302	0.884	1	0		FCAFML
Cc1cn(C[C@@H](OCP(=O)([O-])[O-])Oc2ccccc2)c(=O)[nH]c1=O	ZINC000001658289	204015726	/nfs/dbraw/zinc/01/57/26/204015726.db2.gz	ZYJYFFZNDBWOLS-LBPRGKRZSA-N	-2	1	356.271	0.402	1	0		FCAFML
Cc1cn(C[C@H](OCP(=O)([O-])[O-])Oc2ccccc2)c(=O)[nH]c1=O	ZINC000031905215	208020506	/nfs/dbraw/zinc/02/05/06/208020506.db2.gz	ZYJYFFZNDBWOLS-GFCCVEGCSA-N	-2	1	356.271	0.402	1	0		FCAFML
O=c1[n-]c(=O)c(Cl)c(CSc2nc3c(Cl)c[n-]n3c(=O)n2)[nH]1	ZINC000103288850	209251921	/nfs/dbraw/zinc/25/19/21/209251921.db2.gz	GIJWRBQDZOHCGG-UHFFFAOYSA-N	-2	1	361.170	0.393	1	0		FCAFML
Nc1nc2c(ncn2C[C@@H](CF)OCP(=O)([O-])[O-])c(N2CCCC2)n1	ZINC000071317610	221342043	/nfs/dbraw/zinc/34/20/43/221342043.db2.gz	FOVANXUAPNKSDQ-SECBINFHSA-N	-2	1	374.313	0.499	1	0		FCAFML
Nc1nc2c(ncn2C[C@H](CF)OCC[P@](=O)([O-])O)c(NC2CC2)n1	ZINC000096913318	222139130	/nfs/dbraw/zinc/13/91/30/222139130.db2.gz	PLZLFZJBEMUBHX-VIFPVBQESA-N	-2	1	374.313	0.515	1	0		FCAFML
Nc1ncnc2c1nc(Br)n2CCOCP(=O)([O-])[O-]	ZINC000026181961	210243632	/nfs/dbraw/zinc/24/36/32/210243632.db2.gz	OQEILKBTUXZPBJ-UHFFFAOYSA-N	-2	1	352.085	0.323	1	0		FCAFML
Nc1nc2c(ncn2C[C@@H](CF)OCP(=O)([O-])[O-])c(NC2CC2)n1	ZINC000071319202	221343168	/nfs/dbraw/zinc/34/31/68/221343168.db2.gz	UFZJAPCFBPHQNK-MRVPVSSYSA-N	-2	1	360.286	0.473	1	0		FCAFML
Nc1nc2c(ncn2C[C@@H](CF)OCC[P@](=O)([O-])O)c(NC2CC2)n1	ZINC000096913316	222139463	/nfs/dbraw/zinc/13/94/63/222139463.db2.gz	PLZLFZJBEMUBHX-SECBINFHSA-N	-2	1	374.313	0.515	1	0		FCAFML
Nc1nc2c(ncn2Cc2cccc(COCP(=O)([O-])[O-])c2)c(=O)[nH]1	ZINC000001534069	210359323	/nfs/dbraw/zinc/35/93/23/210359323.db2.gz	NARPDSYSVOSIAJ-UHFFFAOYSA-N	-2	1	365.286	0.402	1	0		FCAFML
CC(=O)N[C@@H](CCC(=O)[O-])[P@](=O)([O-])C[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000096273092	222107702	/nfs/dbraw/zinc/10/77/02/222107702.db2.gz	ZYUHYZCJHIQCIO-RKDXNWHRSA-N	-4	1	353.264	0.149	1	0		FCAFML
CCCNc1nc(N)nc2c1ncn2C[C@H](CF)OCP(=O)([O-])[O-]	ZINC000071317204	221341184	/nfs/dbraw/zinc/34/11/84/221341184.db2.gz	FMLCEUSRKWMBON-QMMMGPOBSA-N	-2	1	362.302	0.720	1	0		FCAFML
Nc1nc2c(ncn2Cc2cccc(OCP(=O)([O-])[O-])c2)c(=O)[nH]1	ZINC000013833695	220097233	/nfs/dbraw/zinc/09/72/33/220097233.db2.gz	WXZSLCNKZFORPD-UHFFFAOYSA-N	-2	1	351.259	0.264	1	0		FCAFML
CC(=O)N[C@H](CCC(=O)[O-])[P@](=O)([O-])C[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000096273093	222107735	/nfs/dbraw/zinc/10/77/35/222107735.db2.gz	ZYUHYZCJHIQCIO-BDAKNGLRSA-N	-4	1	353.264	0.149	1	0		FCAFML