smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N[C@@H](CSCCN(CCSC[C@H](NC(C)=O)C(=O)[O-])c1ccc2c(c1)[nH+]c(CCCC(=O)[O-])n2C)C(=O)[O-]	ZINC000072130254	553641121	/nfs/dbraw/zinc/64/11/21/553641121.db2.gz	YSTNDPUOARKGRL-SFTDATJTSA-N	-2	2	611.743	1.432	40	0	in-vitro	KDABLL
Cc1[nH]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1Cc1c(C)[nH]n(-c2ccc(S(=O)(=O)[O-])cc2)c1=O	ZINC000263616649	572131385	/nfs/dbraw/zinc/13/13/85/572131385.db2.gz	JXTPXZSBXACXHS-KDURUIRLSA-N	-2	2	520.545	1.948	40	0		KDABLL
Cc1[nH]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1Cc1c(C)[nH]n(-c2ccc(S(=O)(=O)[O-])cc2)c1=O	ZINC000263616650	572131403	/nfs/dbraw/zinc/13/14/03/572131403.db2.gz	JXTPXZSBXACXHS-OALUTQOASA-N	-2	2	520.545	1.948	40	0		KDABLL
Cc1[nH]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1Cc1c(C)[nH]n(-c2ccc(S(=O)(=O)[O-])cc2)c1=O	ZINC000263616651	572131395	/nfs/dbraw/zinc/13/13/95/572131395.db2.gz	JXTPXZSBXACXHS-RTBURBONSA-N	-2	2	520.545	1.948	40	0		KDABLL
COc1cc(C(c2c([O-])n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000409094464	1066210891	/nfs/dbraw/zinc/21/08/91/1066210891.db2.gz	DZBARVSFNHUWRD-UHFFFAOYSA-N	-2	2	571.033	1.937	40	0		KDABLL