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@H](C)C(=O)c1ccc([O-])c(O)c1	1997642	342965832	/nfs/dbraw/zinc/96/58/32/342965832.db2.gz	OEQYBTLDHVLHOC-ZETCQYMHSA-N	-1	1	194.230	2.327	50	10		AECAMM
CCCC(=O)c1ccc([O-])c(O)c1	2018019	342966847	/nfs/dbraw/zinc/96/68/47/342966847.db2.gz	NLERVTXJOGYIKC-UHFFFAOYSA-N	-1	1	180.203	2.081	50	10	in-vitro	AECAMM
CCCCC(=O)c1ccc([O-])c(O)c1	21994198	166845508	/nfs/dbraw/zinc/84/55/08/166845508.db2.gz	WYIDMUXMURUPTQ-UHFFFAOYSA-N	-1	1	194.230	2.471	50	10		AECAMM
Cn1c([N-]N=O)nc2ccccc21	13556363	169028756	/nfs/dbraw/zinc/02/87/56/169028756.db2.gz	PZXFYCXNAXKKKR-UHFFFAOYSA-N	-1	1	176.179	2.046	50	10		AECAMM
CC[C@@H](C)C(=O)c1ccc([O-])c(O)c1	1997641	351301450	/nfs/dbraw/zinc/30/14/50/351301450.db2.gz	OEQYBTLDHVLHOC-SSDOTTSWSA-N	-1	1	194.230	2.327	50	10		AECAMM
[O-]c1c(Cl)ccc(Cl)c1O	896610	342941988	/nfs/dbraw/zinc/94/19/88/342941988.db2.gz	OLCABUKQCUOXNU-UHFFFAOYSA-N	-1	1	179.002	2.405	50	10	in-vitro	AECAMM
[O-]c1c(O)cc(Cl)cc1Cl	404074	351280243	/nfs/dbraw/zinc/28/02/43/351280243.db2.gz	XSXYVLIPQMXCBV-UHFFFAOYSA-N	-1	1	179.002	2.405	50	10	in-vitro	AECAMM
CC(C)CC(=O)c1ccc([O-])c(O)c1	1691680	351294909	/nfs/dbraw/zinc/29/49/09/351294909.db2.gz	HREXKWZQGPMOCU-UHFFFAOYSA-N	-1	1	194.230	2.327	50	10		AECAMM