smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(N2CCOCC2)ccc1/C=C1/C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O	ZINC000001153688	132239325	/nfs/dbraw/zinc/23/93/25/132239325.db2.gz	FSQDNUDLXQQUMS-UYRXBGFRSA-N	-1	0	421.453	2.194	10	10		HECERM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(N2CCOCC2)o1	ZINC000004473904	132277468	/nfs/dbraw/zinc/27/74/68/132277468.db2.gz	QCZNRBZYYHRWHF-QBFSEMIESA-N	-1	0	401.419	2.087	10	10		HECERM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)C2=O)cc1	ZINC000006645205	132312299	/nfs/dbraw/zinc/31/22/99/132312299.db2.gz	AMFMPIGUMKAIBB-DHDCSXOGSA-N	-1	0	412.398	2.387	10	10		HECERM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)cc3)C2=O)cc1	ZINC000004942623	132296640	/nfs/dbraw/zinc/29/66/40/132296640.db2.gz	VVQACMJPAXFECK-RGEXLXHISA-N	-1	0	407.426	2.198	10	10		HECERM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OC)cc3OC)C2=O)cc1	ZINC000004526267	132278134	/nfs/dbraw/zinc/27/81/34/132278134.db2.gz	HGEBZXSTVZLMRJ-DHDCSXOGSA-N	-1	0	412.398	2.387	10	10		HECERM
COc1cccc(N2C(=O)/C(=C\c3cc(OC)c(O)c(OC)c3)C(=O)[N-]C2=S)c1	ZINC000005918596	132308493	/nfs/dbraw/zinc/30/84/93/132308493.db2.gz	KIKASTMWBGFEIJ-AUWJEWJLSA-N	-1	0	414.439	2.249	10	10		HECERM
CCC(=O)C=C([O-])c1c(O)c2c(cc1CC(=O)OC)C(=O)c1cccc(O)c1C2=O	ZINC000004654748	560199117	/nfs/dbraw/zinc/19/91/17/560199117.db2.gz	IDEZUESUWKFILV-UHFFFAOYSA-N	-1	0	410.378	2.141	10	10	in-vitro	HECERM