smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2c(C)cc(=O)[nH]c2c([S@](=O)[O-])c1	ZINC000217433670	178275363	/nfs/dbraw/zinc/27/53/63/178275363.db2.gz	IBOVWOOTOJDBIP-UHFFFAOYSA-N	-1	0	237.280	1.726	40	70		BDIBRM
CCCc1nc(CCCOC)cc(=O)[nH]1	ZINC000217785823	398324039	/nfs/dbraw/zinc/32/40/39/398324039.db2.gz	LTRORIWQDLXPCX-UHFFFAOYSA-N	-1	0	210.277	1.714	40	70		BDIBRM
CCn1c2ccccc2c([O-])c(C(=O)OC)c1=O	ZINC000218714713	172132138	/nfs/dbraw/zinc/13/21/38/172132138.db2.gz	PUSQOYWNURMDND-UHFFFAOYSA-N	-1	0	247.250	1.514	40	70		BDIBRM
CCOC(=O)c1[n-]n(C)c(=O)c1-c1ccccc1	ZINC000218296724	170309039	/nfs/dbraw/zinc/30/90/39/170309039.db2.gz	ZVDADSRTXLZHHD-UHFFFAOYSA-N	-1	0	246.266	1.969	40	70		BDIBRM
Cc1cc(=O)[nH]c2ccc([S@](=O)[O-])cc12	ZINC000217444168	177710626	/nfs/dbraw/zinc/71/06/26/177710626.db2.gz	PAOFZHXGXJMLQK-UHFFFAOYSA-N	-1	0	223.253	1.417	40	70		BDIBRM
Cc1cc([O-])c(-c2cscn2)c(=O)o1	ZINC000218309501	178194014	/nfs/dbraw/zinc/19/40/14/178194014.db2.gz	PTBOGQUCMHAAAX-UHFFFAOYSA-N	-1	0	209.226	1.777	40	70		BDIBRM