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-])CCNC(=O)[C@@H](Cc1ccccc1)NC[P@](=O)([O-])O	ZINC000027561416	202157853	/nfs/dbraw/zinc/15/78/53/202157853.db2.gz	RRECHJMJHOXSBV-LLVKDONJSA-N	-2	1	330.277	-0.087	1	0		EBAFML
O=C([O-])CCNC(=O)[C@@H](Cc1ccccc1)NC[P@@](=O)([O-])O	ZINC000027561416	202157856	/nfs/dbraw/zinc/15/78/56/202157856.db2.gz	RRECHJMJHOXSBV-LLVKDONJSA-N	-2	1	330.277	-0.087	1	0		EBAFML
Nc1nc2c(ncn2C[C@H]2O[C@@H](P(=O)([O-])[O-])C[C@H]2F)c(=O)[nH]1	ZINC000026828846	202148466	/nfs/dbraw/zinc/14/84/66/202148466.db2.gz	VBVGMMQMWZNEGY-PBXRRBTRSA-N	-2	1	333.216	-0.667	1	0		EBAFML
CN(C)c1nc(N)nc2c1ncn2C[C@H](CF)OCP(=O)([O-])[O-]	ZINC000071316611	203091458	/nfs/dbraw/zinc/09/14/58/203091458.db2.gz	RMYWEXCFNJNISV-ZETCQYMHSA-N	-2	1	348.275	-0.036	1	0		EBAFML
Nc1nc2c(ncn2C[C@H](CCF)OCP(=O)([O-])[O-])c(=O)[nH]1	ZINC000026664367	202147085	/nfs/dbraw/zinc/14/70/85/202147085.db2.gz	XLNPCJWXNGGWEA-LURJTMIESA-N	-2	1	335.232	-0.418	1	0		EBAFML
O=C(Nc1cc(Cl)cc(NC(=O)c2nnn[n-]2)n1)c1nn[n-]n1	ZINC000027850192	202160691	/nfs/dbraw/zinc/16/06/91/202160691.db2.gz	KHHFNEVBKSXKNB-UHFFFAOYSA-N	-2	1	335.675	-0.734	1	0		EBAFML
O=C(Nc1cc(Cl)cc(NC(=O)c2nn[n-]n2)n1)c1nn[n-]n1	ZINC000027850192	202160694	/nfs/dbraw/zinc/16/06/94/202160694.db2.gz	KHHFNEVBKSXKNB-UHFFFAOYSA-N	-2	1	335.675	-0.734	1	0		EBAFML
Nc1nc2c(ncn2C[C@H](OCP(=O)([O-])[O-])C2CC2)c(=O)[nH]1	ZINC000026661936	202146861	/nfs/dbraw/zinc/14/68/61/202146861.db2.gz	TVQYATKQBBPNSQ-ZETCQYMHSA-N	-2	1	329.253	-0.368	1	0		EBAFML
Nc1nc2c(ncn2C[C@H]2O[C@@H](P(=O)([O-])[O-])C[C@@H]2F)c(=O)[nH]1	ZINC000026832113	202149531	/nfs/dbraw/zinc/14/95/31/202149531.db2.gz	VBVGMMQMWZNEGY-JKUQZMGJSA-N	-2	1	333.216	-0.667	1	0		EBAFML
Nc1nc2c(ncn2[C@@H]2C=C[C@@H](OCP(=O)([O-])[O-])C2)c(=O)[nH]1	ZINC000028261610	202168546	/nfs/dbraw/zinc/16/85/46/202168546.db2.gz	YZUVGBICEBOAKP-RNFRBKRXSA-N	-2	1	327.237	-0.277	1	0		EBAFML
O=C([O-])[C@H]1CCCN1C(=O)CO[P@](=O)([O-])OP(=O)([O-])[O-]	ZINC000036176512	202317955	/nfs/dbraw/zinc/31/79/55/202317955.db2.gz	JFTJDUMMWOSHFL-RXMQYKEDSA-N	-4	1	333.126	-0.712	1	0	in-vitro	EBAFML
O=C([O-])[C@H]1CCCN1C(=O)COP(=O)([O-])O[P@](=O)([O-])O	ZINC000036176512	202317956	/nfs/dbraw/zinc/31/79/56/202317956.db2.gz	JFTJDUMMWOSHFL-RXMQYKEDSA-N	-3	1	333.126	-0.712	1	0	in-vitro	EBAFML
O=C([O-])[C@H]1CCCN1C(=O)COP(=O)([O-])O[P@@](=O)([O-])O	ZINC000036176512	202317958	/nfs/dbraw/zinc/31/79/58/202317958.db2.gz	JFTJDUMMWOSHFL-RXMQYKEDSA-N	-3	1	333.126	-0.712	1	0	in-vitro	EBAFML
O=C([O-])[C@H]1CCCN1C(=O)CO[P@](=O)([O-])OP(=O)([O-])O	ZINC000036176512	202317961	/nfs/dbraw/zinc/31/79/61/202317961.db2.gz	JFTJDUMMWOSHFL-RXMQYKEDSA-N	-3	1	333.126	-0.712	1	0	in-vitro	EBAFML
O=C([O-])[C@H]1CCCN1C(=O)CO[P@@](=O)([O-])OP(=O)([O-])O	ZINC000036176512	202317964	/nfs/dbraw/zinc/31/79/64/202317964.db2.gz	JFTJDUMMWOSHFL-RXMQYKEDSA-N	-3	1	333.126	-0.712	1	0	in-vitro	EBAFML
CC1(C)SC[C@@H](C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])N1C(=O)CN	ZINC000034789119	212987596	/nfs/dbraw/zinc/98/75/96/212987596.db2.gz	YOXXMVHRTIXBJL-YUMQZZPRSA-N	-2	1	347.393	-0.941	1	0		EBAFML
CC1(C)CC[C@H](C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])N1C(=O)CN	ZINC000034789111	212987652	/nfs/dbraw/zinc/98/76/52/212987652.db2.gz	KNUZCBVWBGSPRA-DTWKUNHWSA-N	-2	1	329.353	-0.851	1	0	in-vivo	EBAFML
Nc1nc2c(ncn2[C@H]2C=C[C@@H](OCP(=O)([O-])[O-])O2)c(N)n1	ZINC000003915250	210094756	/nfs/dbraw/zinc/09/47/56/210094756.db2.gz	XCICMBULLHPGJZ-RITPCOANSA-N	-2	1	328.225	-0.446	1	0		EBAFML
O=c1[n-]c(=O)c(Cl)c(CSc2nc3cc[n-]n3c(=O)n2)[nH]1	ZINC000103288884	219284284	/nfs/dbraw/zinc/28/42/84/219284284.db2.gz	NFCVAYZBEVADLQ-UHFFFAOYSA-N	-2	1	326.725	-0.260	1	0		EBAFML
CC(=O)c1cc(S(C)(=O)=O)cc(NC(=O)c2nn[n-]n2)c1[O-]	ZINC000100935054	219111592	/nfs/dbraw/zinc/11/15/92/219111592.db2.gz	YKHSDXDQTBUKDT-UHFFFAOYSA-N	-2	1	325.306	-0.236	1	0		EBAFML