smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nn2c([nH]c(C)c(Cc3cccc(Cl)c3)c2=O)c1C(=O)[O-]	ZINC000103795301	472648080	/nfs/dbraw/zinc/64/80/80/472648080.db2.gz	KCLQDATTYYHHLD-UHFFFAOYSA-N	-1	2	331.759	2.994	50	10		EFCALM
Cc1[nH]n2c(nc(C)c(Cc3ccccc3Cl)c2=O)c1C(=O)[O-]	ZINC000103795322	302807458	/nfs/dbraw/zinc/80/74/58/302807458.db2.gz	ATXBQPXQTOBFLE-UHFFFAOYSA-N	-1	2	331.759	2.994	50	10		EFCALM
O=C([O-])c1ccc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1	ZINC000013766071	304231846	/nfs/dbraw/zinc/23/18/46/304231846.db2.gz	LXHVLHODSDJMDA-UVTDQMKNSA-N	-1	2	336.303	2.892	50	10		EFCALM
O=C([O-])c1ccc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1	ZINC000008739533	304231286	/nfs/dbraw/zinc/23/12/86/304231286.db2.gz	LXHVLHODSDJMDA-GXDHUFHOSA-N	-1	2	336.303	2.892	50	10		EFCALM
CCCCN(CCCC)c1ccc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1	ZINC000002895634	715688529	/nfs/dbraw/zinc/68/85/29/715688529.db2.gz	GWRFRJIUKAWRDC-UHFFFAOYSA-N	-1	2	343.427	2.843	50	10		EFCALM
CCCCN(CCCC)c1ccc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1	ZINC000002895634	715688533	/nfs/dbraw/zinc/68/85/33/715688533.db2.gz	GWRFRJIUKAWRDC-UHFFFAOYSA-N	-1	2	343.427	2.843	50	10		EFCALM