smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C/C=C(/C)C(=O)O[C@@H]1Cc2c(O)c3c(=O)cc(CO)oc3cc2O[C@@]1(C)CCO	ZINC000085595322	291187562	/nfs/dbraw/zinc/18/75/62/291187562.db2.gz	MKEYVPAWAVBPHB-SYOCAYEVSA-N	0	2	404.415	1.945	1	0	biogenic,in-vitro	HDAFLN
O=C1NC(=O)C2(CCS(=O)(=O)N2c2ccc(Oc3ccc(F)cc3)nc2)C(=O)N1	ZINC000028960229	581099556	/nfs/dbraw/zinc/09/95/56/581099556.db2.gz	GCZMDMHHGVIXIT-UHFFFAOYSA-N	0	2	420.378	1.498	1	0		HDAFLN
CNC(=O)C(=O)N(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc21	ZINC000034820438	581099901	/nfs/dbraw/zinc/09/99/01/581099901.db2.gz	MUFNUVZUWISNGN-UHFFFAOYSA-N	0	2	411.393	1.113	1	0		HDAFLN
C[C@@H]1O[C@H](Oc2cc(O)cc3oc(-c4ccc(O)cc4)cc(=O)c23)[C@H](O)[C@H](O)[C@H]1O	ZINC000085487703	291198004	/nfs/dbraw/zinc/19/80/04/291198004.db2.gz	SRJBAQYSUSHTFE-PSEYTLPESA-N	0	2	416.382	1.078	1	0	biogenic,in-vitro	HDAFLN
CCOCCC1(Nc2ccc(Oc3ccc(F)cc3)nc2)C(=O)NC(=O)NC1=O	ZINC000052637048	581095828	/nfs/dbraw/zinc/09/58/28/581095828.db2.gz	OVQQZYABPYQSFZ-UHFFFAOYSA-N	0	2	402.382	1.956	1	0		HDAFLN
O=C(NCc1ccc(F)cc1)c1nc([C@@H]2CC(=O)NC(=O)N2)c2cccnc2c1O	ZINC000028528071	581101847	/nfs/dbraw/zinc/10/18/47/581101847.db2.gz	WFUUYLPFCWILPL-ZDUSSCGKSA-N	0	2	409.377	1.675	1	0		HDAFLN
C[C@@H]1O[C@@H](Oc2cc(-c3coc4cc(O)ccc4c3=O)ccc2O)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000014811696	560226394	/nfs/dbraw/zinc/22/63/94/560226394.db2.gz	QBHNFPJUSZDRKX-MOMNEUHASA-N	0	2	416.382	1.078	1	0	in-vitro	HDAFLN
O=C(NCc1ccc(F)cc1)c1nc([C@H]2CC(=O)NC(=O)N2)c2cccnc2c1O	ZINC000028528072	581101727	/nfs/dbraw/zinc/10/17/27/581101727.db2.gz	WFUUYLPFCWILPL-CYBMUJFWSA-N	0	2	409.377	1.675	1	0		HDAFLN
C[C@H]1O[C@@H](Oc2cc(-c3coc4cc(O)ccc4c3=O)ccc2O)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000014811698	560226511	/nfs/dbraw/zinc/22/65/11/560226511.db2.gz	QBHNFPJUSZDRKX-WAJXAFKISA-N	0	2	416.382	1.078	1	0	in-vitro	HDAFLN
CN1Cc2csc3c(C(=O)O)c(=O)c4cc(F)c(N5CCO[C@@H](CO)C5)c1c4n23	ZINC000003775614	132268845	/nfs/dbraw/zinc/26/88/45/132268845.db2.gz	FJOOXEVIFLMMTR-SNVBAGLBSA-N	0	2	419.434	1.499	1	0		HDAFLN