smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(-c2oc3c(OC)c(OC)cc(=O)c-3c([O-])c2OC)cc(OC)c1OC	ZINC000015271729	560230100	/nfs/dbraw/zinc/23/01/00/560230100.db2.gz	YBWGYGWOYCKNFB-UHFFFAOYSA-N	-1	1	418.398	3.217	1	0	biogenic,in-vitro	HGAFMM
COc1cc([O-])c2c(=O)c(OC)c(-c3cc(OC)c(OC)c(OC)c3)oc2c1OC	ZINC000015271729	560230101	/nfs/dbraw/zinc/23/01/01/560230101.db2.gz	YBWGYGWOYCKNFB-UHFFFAOYSA-N	-1	1	418.398	3.217	1	0	biogenic,in-vitro	HGAFMM
CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc([O-])cc1	ZINC000013588285	581092647	/nfs/dbraw/zinc/09/26/47/581092647.db2.gz	QXTFDCFNCIKKMU-YLJYHZDGSA-N	-1	1	404.507	3.150	1	0		HGAFMM
C[C@@]1(Cc2ccc3ccccc3c2)Oc2cc3oc(CO)cc([O-])c-3c(=O)c2C[C@H]1O	ZINC000085593557	291241420	/nfs/dbraw/zinc/24/14/20/291241420.db2.gz	PXZFOFGXTMDMMS-RDGATRHJSA-N	-1	1	418.445	3.441	1	0	biogenic,in-vitro	HGAFMM
C[C@@]1(Cc2ccc3ccccc3c2)Oc2cc3oc(CO)cc(=O)c3c([O-])c2C[C@H]1O	ZINC000085593557	291241425	/nfs/dbraw/zinc/24/14/25/291241425.db2.gz	PXZFOFGXTMDMMS-RDGATRHJSA-N	-1	1	418.445	3.441	1	0	biogenic,in-vitro	HGAFMM
COc1ccc(C(=O)C(=C([O-])C(=O)Nc2nccs2)c2ccc(OC)cc2)cc1	ZINC000102915899	559153499	/nfs/dbraw/zinc/15/34/99/559153499.db2.gz	UPSWIRQXQLGRDS-KRWDZBQOSA-N	-1	1	410.451	3.335	1	0		HGAFMM
COc1ccc([C@@]2(O)COc3cc([O-])cc(O)c3C2=O)c(OC)c1CC=C(C)C	ZINC000014648395	291240653	/nfs/dbraw/zinc/24/06/53/291240653.db2.gz	BNNYBQXTFXFCME-QFIPXVFZSA-N	-1	1	400.427	3.087	1	0	biogenic,in-vitro	HGAFMM
CC(=O)[C@@H]1c2oc3c4c(cc([O-])c3c(=O)c2C[C@@H]2[C@H]1C(=O)OC2(C)C)OC(C)(C)C=C4	ZINC000095099012	291232563	/nfs/dbraw/zinc/23/25/63/291232563.db2.gz	JOYMAWFVFLOFKF-XOKHGSTOSA-N	-1	1	424.449	3.479	1	0	biogenic,in-vitro	HGAFMM
CC(=O)[C@@H]1c2oc3c4c(cc(=O)c-3c([O-])c2C[C@@H]2[C@H]1C(=O)OC2(C)C)OC(C)(C)C=C4	ZINC000095099012	291232564	/nfs/dbraw/zinc/23/25/64/291232564.db2.gz	JOYMAWFVFLOFKF-XOKHGSTOSA-N	-1	1	424.449	3.479	1	0	biogenic,in-vitro	HGAFMM
COc1cc([O-])c2c(=O)cc(-c3c(OC)c(OC)c(OC)c(OC)c3OC)oc2c1	ZINC000015271468	291238507	/nfs/dbraw/zinc/23/85/07/291238507.db2.gz	QGDNIOFJAUCAMW-UHFFFAOYSA-N	-1	1	418.398	3.217	1	0	biogenic,in-vitro	HGAFMM
COc1ccc(C(=O)C(=C([O-])C(=O)Nc2nccs2)c2ccc(OC)cc2)cc1	ZINC000102915901	559153443	/nfs/dbraw/zinc/15/34/43/559153443.db2.gz	UPSWIRQXQLGRDS-QGZVFWFLSA-N	-1	1	410.451	3.335	1	0		HGAFMM
C[C@@]1(CC2=Cc3ccccc3CC2)Oc2cc3oc(CO)cc([O-])c-3c(=O)c2C[C@H]1O	ZINC000085593550	291241433	/nfs/dbraw/zinc/24/14/33/291241433.db2.gz	LXXYILJNUFZGEL-RDGATRHJSA-N	-1	1	420.461	3.465	1	0	biogenic,in-vitro	HGAFMM
C[C@@]1(CC2=Cc3ccccc3CC2)Oc2cc3oc(CO)cc(=O)c3c([O-])c2C[C@H]1O	ZINC000085593550	291241437	/nfs/dbraw/zinc/24/14/37/291241437.db2.gz	LXXYILJNUFZGEL-RDGATRHJSA-N	-1	1	420.461	3.465	1	0	biogenic,in-vitro	HGAFMM
CC(=O)N1CCSc2ccc(S(=O)(=O)[N-]c3ccc(C)c(N(C)C)c3)cc21	ZINC000032943803	519604785	/nfs/dbraw/zinc/60/47/85/519604785.db2.gz	LHUKVCQOKFRWDC-UHFFFAOYSA-N	-1	1	405.545	3.320	1	0		HGAFMM