smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(NC(=O)[C@H](C)[N@H+](C)CC(=O)[O-])on1	ZINC000821009070	587088088	/nfs/dbraw/zinc/08/80/88/587088088.db2.gz	UJZGONWTZWGUGM-ZETCQYMHSA-N	-2	2	241.247	0.326	20	0		BCADLL
Cc1cnc(C(=O)NN2CCOC2=O)c(O)c1	ZINC000862703225	589234908	/nfs/dbraw/zinc/23/49/08/589234908.db2.gz	UOCLPIHRMIQHCE-UHFFFAOYSA-N	-2	2	237.215	0.193	20	0		BCADLL
Cc1cc(NC(=O)[C@@H](C)[N@H+](C)CC(=O)[O-])on1	ZINC000821009068	587087812	/nfs/dbraw/zinc/08/78/12/587087812.db2.gz	UJZGONWTZWGUGM-SSDOTTSWSA-N	-2	2	241.247	0.326	20	0		BCADLL
Cc1nsc(NCCc2c(C)[nH][nH]c2=O)n1	ZINC000381528360	367424579	/nfs/dbraw/zinc/42/45/79/367424579.db2.gz	XVFVWSFUJYXFNH-SSDOTTSWSA-N	-2	2	239.304	0.192	20	0		BCADLL
CCONC(=O)CNc1nnc(C(C)(C)C)o1	ZINC000882527908	591382477	/nfs/dbraw/zinc/38/24/77/591382477.db2.gz	KMULSJSHJFITOT-UHFFFAOYSA-N	-2	2	242.279	0.847	20	0		BCADLL
CCC(C)(C)c1nnc(NCC(=O)NOC)o1	ZINC000896193433	583782330	/nfs/dbraw/zinc/78/23/30/583782330.db2.gz	BXEMYXOVMVHHRD-UHFFFAOYSA-N	-2	2	242.279	0.847	20	0		BCADLL
O=C(NN1CN=NC1=O)c1c(O)cccc1F	ZINC000776184416	585692312	/nfs/dbraw/zinc/69/23/12/585692312.db2.gz	CLPULGISBNJAKO-UHFFFAOYSA-N	-2	2	238.178	0.212	20	0		BCADLL
Cc1nc(=NCc2ncccc2O)s[nH]1	ZINC000336735826	385717167	/nfs/dbraw/zinc/71/71/67/385717167.db2.gz	OPCBDIJJJFUQRI-UHFFFAOYSA-N	-2	2	222.273	0.981	20	0		BCADLL