smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc([O-])c(S(=O)(=O)NC)c2)cn1C	ZINC000790406362	1070471841	/nfs/dbraw/zinc/47/18/41/1070471841.db2.gz	OTSUWZMLOWWQER-UHFFFAOYSA-N	-2	0	402.454	-0.201	20	10		HBCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cnn(CC(=O)OC)c2)ccc1[O-]	ZINC000790406774	1070471775	/nfs/dbraw/zinc/47/17/75/1070471775.db2.gz	HGCWCNGUKASYKO-UHFFFAOYSA-N	-2	0	404.426	-0.529	20	10		HBCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)ccc1[O-]	ZINC000790406865	1070471809	/nfs/dbraw/zinc/47/18/09/1070471809.db2.gz	IOQJPDPBYVQRFD-UHFFFAOYSA-N	-2	0	411.417	-0.015	20	10		HBCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)OC)ccc1[O-]	ZINC000790408401	1070471699	/nfs/dbraw/zinc/47/16/99/1070471699.db2.gz	XXAJGILKOHOSRZ-UHFFFAOYSA-N	-2	0	404.426	-0.081	20	10		HBCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)ccc1[O-]	ZINC000794595883	1071864018	/nfs/dbraw/zinc/86/40/18/1071864018.db2.gz	UKMCOJZCEBGJNO-UHFFFAOYSA-N	-2	0	421.478	-0.100	20	10		HBCDRL
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147878826	1071129883	/nfs/dbraw/zinc/12/98/83/1071129883.db2.gz	UZDKFPJSGPAJDB-UHFFFAOYSA-N	-2	0	407.368	-0.858	20	10		HBCDRL
O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889507	1071129128	/nfs/dbraw/zinc/12/91/28/1071129128.db2.gz	KTRLUGQYQJYNQF-HNNXBMFYSA-N	-2	0	412.406	-0.179	20	10		HBCDRL