smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)c1ccc(C[C@@H](N)[C@H](O)C(=O)NC2(C(=O)[O-])CCCC2)cc1	ZINC000001554525	212143943	/nfs/dbraw/zinc/14/39/43/212143943.db2.gz	XJLNLWXPEXKWNZ-KGLIPLIRSA-N	-1	1	384.454	-0.166	10	0		GBAEMM
O=C([O-])c1ccc(CN[C@@H]2CO[C@H](CNC(=O)N3CCOCC3)[C@H]2O)cc1	ZINC000077265030	205035475	/nfs/dbraw/zinc/03/54/75/205035475.db2.gz	RMPIKIGTFRZSGB-OAGGEKHMSA-N	-1	1	379.413	-0.356	10	0	biogenic	GBAEMM
Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NC[C@@H]3CCc4[nH+]ccn4C3)cnc21	ZINC000275222551	570688601	/nfs/dbraw/zinc/68/86/01/570688601.db2.gz	CFMUNEYPZHPNFC-JTQLQIEISA-N	-1	1	390.425	-0.229	10	0		GBAEMM
Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NC[C@H]3CCc4[nH+]ccn4C3)cnc21	ZINC000275222555	570688893	/nfs/dbraw/zinc/68/88/93/570688893.db2.gz	CFMUNEYPZHPNFC-SNVBAGLBSA-N	-1	1	390.425	-0.229	10	0		GBAEMM
Cn1cc(S(=O)(=O)[N-][C@@H]2CCc3nc(C(C)(C)C)cn3C2)c(=O)n(C)c1=O	ZINC000329281558	1072480420	/nfs/dbraw/zinc/48/04/20/1072480420.db2.gz	NIJBQDBAIKMCFX-LLVKDONJSA-N	-1	1	395.485	-0.129	10	0		GBAEMM
Cn1cc(S(=O)(=O)[N-][C@H]2CCc3nc(C(C)(C)C)cn3C2)c(=O)n(C)c1=O	ZINC000329281561	1072480389	/nfs/dbraw/zinc/48/03/89/1072480389.db2.gz	NIJBQDBAIKMCFX-NSHDSACASA-N	-1	1	395.485	-0.129	10	0		GBAEMM
C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)co1	ZINC000408050650	1073215541	/nfs/dbraw/zinc/21/55/41/1073215541.db2.gz	FEWKMHOJKPQLOR-NEPJUHHUSA-N	-1	1	389.405	-0.401	10	0		GBAEMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)o1	ZINC000408055579	1073221141	/nfs/dbraw/zinc/22/11/41/1073221141.db2.gz	YWMRNHQNABTFRS-MNOVXSKESA-N	-1	1	389.405	-0.401	10	0		GBAEMM
CN(C)CCN(CC(=O)[O-])S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O	ZINC000703965550	954918964	/nfs/dbraw/zinc/91/89/64/954918964.db2.gz	YFDSPQDEEWJAHJ-UHFFFAOYSA-N	-1	1	397.453	-0.049	10	0		GBAEMM