smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)OCc1cc(CN2CCN(C)CC2)c([O-])c2ncccc12	ZINC000020439874	212128999	/nfs/dbraw/zinc/12/89/99/212128999.db2.gz	DJZCQWXUWVBXPE-UHFFFAOYSA-N	-1	3	329.444	2.613	1	10		EFCFHM
[O-]c1cc(CN2CCN(c3ccc4c(c3)OCCO4)CC2)ccc1[18F]	ZINC000102906356	219241011	/nfs/dbraw/zinc/24/10/11/219241011.db2.gz	SXICCGPFVRVNMD-LRFGSCOBSA-N	-1	3	343.389	2.625	1	10		EFCFHM
[O-]c1cc(CN2CCN(c3ccc4c(c3)OCCO4)CC2)ccc1F	ZINC000073158005	216358752	/nfs/dbraw/zinc/35/87/52/216358752.db2.gz	SXICCGPFVRVNMD-UHFFFAOYSA-N	-1	3	344.386	2.625	1	10		EFCFHM
COc1ccc([C@H]2CC(=O)c3c([O-])c(O)c(OC)cc3O2)cc1OC	ZINC000095910708	560058494	/nfs/dbraw/zinc/05/84/94/560058494.db2.gz	UOCMSMUZLBMNRP-GFCCVEGCSA-N	-1	3	346.335	2.830	1	10	biogenic,in-vitro	EFCFHM
COc1cc([O-])c2c(c1)O[C@H](c1cc(O)c(O)c(OC)c1)CC2=O	ZINC000014643827	290980098	/nfs/dbraw/zinc/98/00/98/290980098.db2.gz	LWMYXRBELIIBKN-ZDUSSCGKSA-N	-1	3	332.308	2.527	1	10	biogenic,in-vitro	EFCFHM
COc1ccc([C@@H]2C[C@H](c3ccccc3[O-])NN2C(C)=O)cc1OC	ZINC000028137025	202165353	/nfs/dbraw/zinc/16/53/53/202165353.db2.gz	VRWFAJSOLIRHDX-CVEARBPZSA-N	-1	3	342.395	2.949	1	10		EFCFHM
COc1ccc(-c2cc([O-])c3c(=O)c(O)c(OC)c(OC)c-3o2)cc1	ZINC000014645381	560223627	/nfs/dbraw/zinc/22/36/27/560223627.db2.gz	VPLTZBCCUJNRIE-UHFFFAOYSA-N	-1	3	344.319	2.897	1	10	biogenic,in-vitro	EFCFHM
COc1ccc(-c2cc(=O)c3c([O-])c(O)c(OC)c(OC)c3o2)cc1	ZINC000014645381	560223629	/nfs/dbraw/zinc/22/36/29/560223629.db2.gz	VPLTZBCCUJNRIE-UHFFFAOYSA-N	-1	3	344.319	2.897	1	10	biogenic,in-vitro	EFCFHM
COc1ccc([O-])c2c1C(=O)c1ccc3c(c1C2=O)C(=O)C[C@@H](C)C3	ZINC000003794375	560189517	/nfs/dbraw/zinc/18/95/17/560189517.db2.gz	IAWMODONDSIOEK-VIFPVBQESA-N	-1	3	336.343	2.941	1	10	in-vitro	EFCFHM
COc1ccc(N2C(=O)c3c(c([O-])cc(OC)c3C)[C@H]2CCO)cc1	ZINC000028950955	202179733	/nfs/dbraw/zinc/17/97/33/202179733.db2.gz	IKQTWXBPWHWYRF-CQSZACIVSA-N	-1	3	343.379	2.802	1	10		EFCFHM
COc1ccc([O-])c2c1C(=O)c1ccc3c(c1C2=O)[C@@H](O)C[C@@H](C)C3	ZINC000003794377	201055079	/nfs/dbraw/zinc/05/50/79/201055079.db2.gz	CAEGIOZCLWNLAP-ZANVPECISA-N	-1	3	338.359	2.792	1	10	in-vitro	EFCFHM
COc1cc2c(cc1OC)[C@H]1Cc3ccc(O)c([O-])c3CN1CC2	ZINC000013484850	201056852	/nfs/dbraw/zinc/05/68/52/201056852.db2.gz	SUHDGQSJNMIRRN-OAHLLOKOSA-N	-1	3	327.380	2.771	1	10		EFCFHM
O=C(c1ccccc1)N1CCN(Cc2ccc3cccnc3c2[O-])CC1	ZINC000053243050	214172334	/nfs/dbraw/zinc/17/23/34/214172334.db2.gz	ACODOJQEXGOBAH-UHFFFAOYSA-N	-1	3	347.418	2.898	1	10		EFCFHM
COc1cc(=O)c2c([O-])cc(-c3ccc(O)c(O)c3)oc-2c1OC	ZINC000026384916	202142256	/nfs/dbraw/zinc/14/22/56/202142256.db2.gz	FWOUQLGHGBDLRO-UHFFFAOYSA-N	-1	3	330.292	2.594	1	10		EFCFHM
CN(C)Cc1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2	ZINC000040916104	213399855	/nfs/dbraw/zinc/39/98/55/213399855.db2.gz	ICSYRRPMGFFPSY-UHFFFAOYSA-N	-1	3	327.336	2.638	1	10		EFCFHM