smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)NCc1nc2ccc(C(=O)N[C@H](C[P@](=O)([O-])O)C(=O)[O-])cc2n1C	ZINC000003587269	204014809	/nfs/dbraw/zinc/01/48/09/204014809.db2.gz	LHFFAAQARRZPHB-LLVKDONJSA-N	-2	1	398.312	-0.430	1	0		GBAFML
O=c1[n-]c(=O)c(Cl)c(N2CCN(c3[nH]c(=O)[n-]c(=O)c3Cl)CC2)[nH]1	ZINC000014972714	207037733	/nfs/dbraw/zinc/03/77/33/207037733.db2.gz	BNAYBOFZQFRSHC-UHFFFAOYSA-N	-2	1	375.172	-0.927	1	0		GBAFML
O=C([O-])c1cc(OC(C(=O)[O-])C(=O)[O-])cc(O[C@@H](C(=O)[O-])[P@@](=O)([O-])O)c1	ZINC000026717804	207317939	/nfs/dbraw/zinc/31/79/39/207317939.db2.gz	FAKOXXUOHIZFQH-GFCCVEGCSA-N	-6	1	394.181	-0.731	1	0		GBAFML
O=C([O-])c1cc(OC(C(=O)[O-])C(=O)[O-])cc(O[C@H](C(=O)[O-])[P@@](=O)([O-])O)c1	ZINC000026717809	207318411	/nfs/dbraw/zinc/31/84/11/207318411.db2.gz	FAKOXXUOHIZFQH-LBPRGKRZSA-N	-6	1	394.181	-0.731	1	0		GBAFML
Nc1nc2c(ncn2CCCCO[P@@](=O)([O-])O[P@](=O)([O-])O)c(N)n1	ZINC000043069070	205082792	/nfs/dbraw/zinc/08/27/92/205082792.db2.gz	UMTKDBGAITUVJV-UHFFFAOYSA-N	-2	1	382.210	-0.003	1	0		GBAFML
Nc1nc2c(ncn2CCCCO[P@@](=O)([O-])O[P@@](=O)([O-])O)c(N)n1	ZINC000043069070	205082789	/nfs/dbraw/zinc/08/27/89/205082789.db2.gz	UMTKDBGAITUVJV-UHFFFAOYSA-N	-2	1	382.210	-0.003	1	0		GBAFML
O=c1nc(NO)ccn1[C@@H]1C=C[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)O1	ZINC000058632355	222054183	/nfs/dbraw/zinc/05/41/83/222054183.db2.gz	GOUGYYIMQAEYAT-SVRRBLITSA-N	-2	1	385.162	-0.276	1	0		GBAFML
O=c1nc(NO)ccn1[C@@H]1C=C[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)O1	ZINC000058632355	222054181	/nfs/dbraw/zinc/05/41/81/222054181.db2.gz	GOUGYYIMQAEYAT-SVRRBLITSA-N	-2	1	385.162	-0.276	1	0		GBAFML
COCCNc1nc(N)nc2c1ncn2C[C@H](CF)OCP(=O)([O-])[O-]	ZINC000071318833	205281060	/nfs/dbraw/zinc/28/10/60/205281060.db2.gz	OUXUULYMVFKSDW-QMMMGPOBSA-N	-2	1	378.301	-0.043	1	0		GBAFML
COCCNc1nc(N)nc2c1ncn2C[C@@H](CF)OCP(=O)([O-])[O-]	ZINC000071329885	211046027	/nfs/dbraw/zinc/04/60/27/211046027.db2.gz	OUXUULYMVFKSDW-MRVPVSSYSA-N	-2	1	378.301	-0.043	1	0		GBAFML
NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](N)Cc1ccc2c(c1)CO[P@](=O)([O-])O2	ZINC000095581183	211278050	/nfs/dbraw/zinc/27/80/50/211278050.db2.gz	OGZSNWUELLTFNO-UWVGGRQHSA-N	-2	1	387.285	-0.989	1	0		GBAFML
Nc1ccn([C@@H]2CS[C@@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)O2)c(=O)n1	ZINC000098043975	209245086	/nfs/dbraw/zinc/24/50/86/209245086.db2.gz	AAHOBGDTTMOZKD-BQBZGAKWSA-N	-2	1	389.219	-0.360	1	0	in-man	GBAFML
Nc1ccn([C@@H]2CS[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)O2)c(=O)n1	ZINC000098043975	209245084	/nfs/dbraw/zinc/24/50/84/209245084.db2.gz	AAHOBGDTTMOZKD-BQBZGAKWSA-N	-2	1	389.219	-0.360	1	0	in-man	GBAFML