smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=P([O-])([O-])C(F)(F)c1cccc(-c2ccc(CO/N=C/c3ccc(CO)o3)cc2)c1	ZINC000071329802	563162374	/nfs/dbraw/zinc/16/23/74/563162374.db2.gz	JLUPCFGZMXWKHG-FOKLQQMPSA-N	-2	0	437.335	4.217	1	30		IIEFRL
O=C([O-])c1c(CCS)c2ccccc2n1Cc1cc(C(=O)[O-])ccc1Br	ZINC000003816716	562938633	/nfs/dbraw/zinc/93/86/33/562938633.db2.gz	XARQBKGNAFMNRA-UHFFFAOYSA-N	-2	0	434.311	4.321	1	30		IIEFRL
CC(C)c1nc(C2CC2)cc(-c2ccc(F)cc2)c1C#C[P@](=O)([O-])C[C@H](O)CC(=O)[O-]	ZINC000026668504	563035279	/nfs/dbraw/zinc/03/52/79/563035279.db2.gz	VCNUBBARROSDIB-GOSISDBHSA-N	-2	0	445.427	4.304	1	30		IIEFRL
CC(C)n1c(C#C[P@](=O)([O-])C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c2ccccc21	ZINC000026749706	563036511	/nfs/dbraw/zinc/03/65/11/563036511.db2.gz	CNTCUYARGQHITB-SFHVURJKSA-N	-2	0	443.411	4.443	1	30		IIEFRL
O=C([O-])c1c(CCS)c2ccccc2n1Cc1ccc(Br)c(C(=O)[O-])c1	ZINC000003816720	562938594	/nfs/dbraw/zinc/93/85/94/562938594.db2.gz	JDWRQWKJBKHJDR-UHFFFAOYSA-N	-2	0	434.311	4.321	1	30		IIEFRL
CCCC(=O)C1=C([O-])C(CC2=C([O-])C(C)(C)C([O-])=C(C(=O)CC)C2=O)C(=O)C(C)(C)C1=O	ZINC000103547062	291381063	/nfs/dbraw/zinc/38/10/63/291381063.db2.gz	FMNRNKYPJCPOQN-UHFFFAOYSA-N	-3	0	446.496	4.191	1	30	biogenic,in-vitro	IIEFRL
COc1cc([O-])c(C(=O)/C=C/c2ccc(O)cc2)c([O-])c1C(=O)/C=C/c1ccc(O)cc1	ZINC000049808412	563140361	/nfs/dbraw/zinc/14/03/61/563140361.db2.gz	ZHXUQFHOJDYUKE-PWHKKFIBSA-N	-2	0	432.428	4.310	1	30		IIEFRL
COc1ccc(C(=O)/C=C/c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])cc2)c([O-])c1	ZINC000096913645	563197902	/nfs/dbraw/zinc/19/79/02/563197902.db2.gz	GIOZZCCDQNROBV-ONNFQVAWSA-N	-2	0	434.404	4.163	1	30		IIEFRL
CC(C)c1c2ccccc2n(-c2ccc(F)cc2)c1C#C[P@](=O)([O-])C[C@@H](O)CC(=O)[O-]	ZINC000026746604	563036448	/nfs/dbraw/zinc/03/64/48/563036448.db2.gz	DVRZSYZTEHXMHH-SFHVURJKSA-N	-2	0	443.411	4.308	1	30	investigational	IIEFRL