smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOP(=O)(NC(=S)Nc1ccccc1NC(=O)[N-]S(=O)(=O)c1ccc(C)cc1)OCC	ZINC000004217615	561694581	/nfs/dbraw/zinc/69/45/81/561694581.db2.gz	NDXFLHPUUKVXLQ-UHFFFAOYSA-N	-1	1	500.539	3.973	10	0	in-man	KHAEMM
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000005411474	552501488	/nfs/dbraw/zinc/50/14/88/552501488.db2.gz	KRCAKIVDAFTTGJ-ARVREXMNSA-N	-1	1	576.657	3.540	10	0		KHAEMM
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c([N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1	ZINC000008686917	561707629	/nfs/dbraw/zinc/70/76/29/561707629.db2.gz	BTNASDTVESQGPX-UHFFFAOYSA-N	-1	1	523.721	3.960	10	0		KHAEMM
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000071788341	553638300	/nfs/dbraw/zinc/63/83/00/553638300.db2.gz	KZIYGUZDIUJJKD-JJUKLNJBSA-N	-1	1	624.889	3.700	10	0		KHAEMM
CCCCNS(=O)(=O)[N-]c1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1	ZINC000095554334	562761234	/nfs/dbraw/zinc/76/12/34/562761234.db2.gz	FAYAMAAFPRXGJT-UHFFFAOYSA-N	-1	1	602.309	3.963	10	0		KHAEMM
COC(=O)c1ccc(Cl)cc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[n-]1	ZINC000101273298	554701639	/nfs/dbraw/zinc/70/16/39/554701639.db2.gz	ICTMLIRXFFNRPF-UHFFFAOYSA-N	-1	1	572.846	3.536	10	0		KHAEMM