smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CCc1cccc2c3cccc(CCC(=O)[O-])c3oc21	ZINC000005848889	181289218	/nfs/dbraw/zinc/28/92/18/181289218.db2.gz	VMOREDRCSHIRTH-UHFFFAOYSA-N	-2	0	312.321	3.620	10	0		DHAERL
O=C([O-])c1cccc2c1Sc1c(cccc1C(=O)[O-])S2	ZINC000005784872	181283598	/nfs/dbraw/zinc/28/35/98/181283598.db2.gz	WKUMLCTUNDLANJ-UHFFFAOYSA-N	-2	0	304.348	3.699	10	0		DHAERL
CC(C)c1ccccc1CCc1cc(C(=O)[O-])ccc1C(=O)[O-]	ZINC000584615133	337372678	/nfs/dbraw/zinc/37/26/78/337372678.db2.gz	KNKCTYWIKZGFMN-UHFFFAOYSA-N	-2	0	312.365	3.992	10	0		DHAERL
O=C([O-])c1ccccc1N=Nc1c(=O)oc2ccccc2c1[O-]	ZINC000109353767	563961706	/nfs/dbraw/zinc/96/17/06/563961706.db2.gz	WJDXIYLSQMNGHP-ISLYRVAYSA-N	-2	0	310.265	3.612	10	0		DHAERL
CC(C)c1ccc(CCc2cc(C(=O)[O-])ccc2C(=O)[O-])cc1	ZINC000584615131	337372826	/nfs/dbraw/zinc/37/28/26/337372826.db2.gz	KETSGYXZZXBQFY-UHFFFAOYSA-N	-2	0	312.365	3.992	10	0		DHAERL
O=C([O-])Cc1ccccc1Oc1cc2ccccc2cc1C(=O)[O-]	ZINC000584626825	337376090	/nfs/dbraw/zinc/37/60/90/337376090.db2.gz	XHDDSXHCOKZZGC-UHFFFAOYSA-N	-2	0	322.316	3.957	10	0		DHAERL
O=C([O-])c1ccc2c(c1)Sc1ccc(C(=O)[O-])cc1S2	ZINC000060121551	184144377	/nfs/dbraw/zinc/14/43/77/184144377.db2.gz	GUEMADKCYDBBFM-UHFFFAOYSA-N	-2	0	304.348	3.699	10	0	in-vitro	DHAERL
O=C([O-])c1cc(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cs1	ZINC000065351249	184326864	/nfs/dbraw/zinc/32/68/64/184326864.db2.gz	AJTMURKAVXTPIW-UHFFFAOYSA-N	-2	0	316.256	3.830	10	0		DHAERL
CCCCC/C=C\CCCCC[C@@H](C(=O)[O-])[C@H](O)CC(=O)[O-]	ZINC000225448724	201710463	/nfs/dbraw/zinc/71/04/63/201710463.db2.gz	IDGPVXDLXALXLU-YOVCOIKASA-N	-2	0	314.422	3.610	10	0		DHAERL
CC(C)c1ccc(CCc2ccc(C(=O)[O-])cc2C(=O)[O-])cc1	ZINC000584615149	337372789	/nfs/dbraw/zinc/37/27/89/337372789.db2.gz	QLZBSUILOURZTA-UHFFFAOYSA-N	-2	0	312.365	3.992	10	0		DHAERL
O=C([O-])c1ccc2c(c1)Sc1cc(C(=O)[O-])ccc1S2	ZINC000077319447	563816862	/nfs/dbraw/zinc/81/68/62/563816862.db2.gz	DYCPNPRIPIZPCJ-UHFFFAOYSA-N	-2	0	304.348	3.699	10	0	in-vitro	DHAERL