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-])c1ccccc1/N=C/c1ccc(/C=N/c2ccccc2C(=O)[O-])cc1	ZINC000002163655	210151007	/nfs/dbraw/zinc/15/10/07/210151007.db2.gz	LMXLVSAFBJFOOU-RNIAWFEPSA-N	-2	0	372.380	4.584	50	30		FJEARL
O=C(/C=C/c1ccccc1)c1cc(C(=O)/C=C/c2ccccc2)c([O-])cc1[O-]	ZINC000012418129	206291100	/nfs/dbraw/zinc/29/11/00/206291100.db2.gz	CAAJXTJDBCGUNB-PHEQNACWSA-N	-2	0	370.404	4.890	50	30		FJEARL
CCCCCCCCCCCC(=O)Nc1ccc(C(=O)[O-])c(C(=O)[O-])c1	ZINC000098001621	571217579	/nfs/dbraw/zinc/21/75/79/571217579.db2.gz	XZEWLYZUDGPAKC-UHFFFAOYSA-N	-2	0	363.454	4.942	50	30		FJEARL
Cc1ccc(C(=O)[O-])cc1/N=C/c1ccc(-c2ccc(C(=O)[O-])cc2C)o1	ZINC000004739141	570603988	/nfs/dbraw/zinc/60/39/88/570603988.db2.gz	ZYYHBYWHBVHWJN-SSDVNMTOSA-N	-2	0	363.369	4.710	50	30		FJEARL
CCCCCCCCCCCC(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000100308296	519981820	/nfs/dbraw/zinc/98/18/20/519981820.db2.gz	NUPLCALTZIZREL-UHFFFAOYSA-N	-2	0	363.454	4.942	50	30		FJEARL
O=C(/C=C/c1ccc(/C=C/C(=O)c2ccccc2[O-])cc1)c1ccccc1[O-]	ZINC000004582924	263334262	/nfs/dbraw/zinc/33/42/62/263334262.db2.gz	GSFRPUAGDBMSNQ-WXUKJITCSA-N	-2	0	370.404	4.890	50	30		FJEARL
CC(C)c1ccc(/C=C/C(=O)c2cc(CC(=O)[O-])cc(Cl)c2[O-])cc1	ZINC000004528867	570595689	/nfs/dbraw/zinc/59/56/89/570595689.db2.gz	SXWDZJKSUPLWCX-VMPITWQZSA-N	-2	0	358.821	4.692	50	30		FJEARL
O=C([O-])c1ccc(/N=C/c2ccc(/C=N/c3ccc(C(=O)[O-])cc3)cc2)cc1	ZINC000018052022	207625434	/nfs/dbraw/zinc/62/54/34/207625434.db2.gz	IWDAJIGSYCLHBO-RNIAWFEPSA-N	-2	0	372.380	4.584	50	30		FJEARL
[O-]c1c(Cl)cc(Br)cc1C=Nc1cc(Cl)ccc1O	ZINC000252596548	570623930	/nfs/dbraw/zinc/62/39/30/570623930.db2.gz	CKIGATXWRGIYGK-UHFFFAOYSA-N	-2	0	361.022	4.918	50	30		FJEARL
O=C([O-])c1cccc(/N=C/c2ccc(/C=N/c3cccc(C(=O)[O-])c3)cc2)c1	ZINC000004754228	571231702	/nfs/dbraw/zinc/23/17/02/571231702.db2.gz	JAZTUPYMICDXGO-RNIAWFEPSA-N	-2	0	372.380	4.584	50	30		FJEARL
CCc1ccc(O)c(/N=C/c2cc(Br)cc(Cl)c2[O-])c1	ZINC000102424670	209235580	/nfs/dbraw/zinc/23/55/80/209235580.db2.gz	MWNVFRSEKXYUOL-QGMBQPNBSA-N	-2	0	354.631	4.827	50	30		FJEARL
CC(C)Cc1ccc(/C=C/C(=O)c2cc(CC(=O)[O-])cc(Cl)c2[O-])cc1	ZINC000004528864	207025403	/nfs/dbraw/zinc/02/54/03/207025403.db2.gz	WPPSFCNZUAPOFM-BQYQJAHWSA-N	-2	0	372.848	4.767	50	30		FJEARL
C/C(=N\c1ccccc1O)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100370441	222243092	/nfs/dbraw/zinc/24/30/92/222243092.db2.gz	CDMGIIIDHATSER-BUVRLJJBSA-N	-2	0	370.408	4.543	50	30		FJEARL
CCCCCCCCCCCCCCCC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000028537968	571125132	/nfs/dbraw/zinc/12/51/32/571125132.db2.gz	ZYJZBFYRVKLOAA-KRWDZBQOSA-N	-2	0	371.518	4.512	50	30	in-vitro	FJEARL