smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1nc2cc(-c3ccc(F)cc3)[n-]n2c(=O)[n-]1	ZINC000096928216	187289782	/nfs/dbraw/zinc/28/97/82/187289782.db2.gz	BASKMWVDXZBJBY-UHFFFAOYSA-N	-2	1	246.201	0.929	1	0		BCAFML
CCC(=O)CO[P@](=O)([O-])OP(=O)([O-])[O-]	ZINC000013491808	168209312	/nfs/dbraw/zinc/20/93/12/168209312.db2.gz	RGVRLDPGSDWVCN-UHFFFAOYSA-N	-2	1	248.064	0.192	1	0		BCAFML
CCC(=O)CO[P@@](=O)([O-])OP(=O)([O-])O	ZINC000013491808	168209314	/nfs/dbraw/zinc/20/93/14/168209314.db2.gz	RGVRLDPGSDWVCN-UHFFFAOYSA-N	-2	1	248.064	0.192	1	0		BCAFML
CCC(=O)CO[P@](=O)([O-])OP(=O)([O-])O	ZINC000013491808	168209315	/nfs/dbraw/zinc/20/93/15/168209315.db2.gz	RGVRLDPGSDWVCN-UHFFFAOYSA-N	-2	1	248.064	0.192	1	0		BCAFML
CCC(=O)COP(=O)([O-])O[P@@](=O)([O-])O	ZINC000013491808	168209317	/nfs/dbraw/zinc/20/93/17/168209317.db2.gz	RGVRLDPGSDWVCN-UHFFFAOYSA-N	-2	1	248.064	0.192	1	0		BCAFML
CCC(=O)COP(=O)([O-])O[P@](=O)([O-])O	ZINC000013491808	168209318	/nfs/dbraw/zinc/20/93/18/168209318.db2.gz	RGVRLDPGSDWVCN-UHFFFAOYSA-N	-2	1	248.064	0.192	1	0		BCAFML
O=C([O-])C1N=C(c2cccc(O)c2)[N-]C(=O)C1=O	ZINC000003583713	187246413	/nfs/dbraw/zinc/24/64/13/187246413.db2.gz	IUNIIGJVJCSRMN-UHFFFAOYSA-N	-2	1	248.194	0.546	1	0		BCAFML
O=C([O-])c1ncccc1/C=C/[P@@](=O)([O-])O	ZINC000013516418	187251051	/nfs/dbraw/zinc/25/10/51/187251051.db2.gz	KJGDWXBIOZTVCW-HWKANZROSA-N	-2	1	229.128	0.928	1	0		BCAFML
COc1ccccc1[C@H](O)P(=O)([O-])[O-]	ZINC000013441042	175354104	/nfs/dbraw/zinc/35/41/04/175354104.db2.gz	KTPRMXXHCZTHQH-MRVPVSSYSA-N	-2	1	218.145	0.864	1	0		BCAFML
O=C([O-])c1nc(-c2ccco2)[n-]c(=O)c1O	ZINC000003582036	188102016	/nfs/dbraw/zinc/10/20/16/188102016.db2.gz	PAQPHTZYNPKGGZ-UHFFFAOYSA-N	-2	1	222.156	0.434	1	0		BCAFML
O=c1nc2c(-c3ccc(F)cc3)c[n-]n2c(=O)[n-]1	ZINC000096928224	188147396	/nfs/dbraw/zinc/14/73/96/188147396.db2.gz	NTYHBVXUYWRUHS-UHFFFAOYSA-N	-2	1	246.201	0.929	1	0		BCAFML
Cc1cc(C[P@](=O)([O-])O)cc(C(=O)[O-])n1	ZINC000013650389	178050580	/nfs/dbraw/zinc/05/05/80/178050580.db2.gz	HYNWZQYGQMZHNN-UHFFFAOYSA-N	-2	1	231.144	0.766	1	0		BCAFML
O=C([O-])C(=O)Cc1c(F)cc([O-])cc1F	ZINC000013509180	560217830	/nfs/dbraw/zinc/21/78/30/560217830.db2.gz	STRRCIVAFFJFDV-UHFFFAOYSA-N	-2	1	216.139	0.867	1	0	in-vitro	BCAFML
O=C(C=C([O-])c1ccccn1)C=C(O)C(=O)[O-]	ZINC000100063231	188149539	/nfs/dbraw/zinc/14/95/39/188149539.db2.gz	BYCBWIGGSIQBFE-UHFFFAOYSA-N	-2	1	235.195	0.267	1	0		BCAFML
COc1ccccc1[C@@H](O)P(=O)([O-])[O-]	ZINC000013441040	175347074	/nfs/dbraw/zinc/34/70/74/175347074.db2.gz	KTPRMXXHCZTHQH-QMMMGPOBSA-N	-2	1	218.145	0.864	1	0		BCAFML