smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000160806211	432742609	/nfs/dbraw/zinc/74/26/09/432742609.db2.gz	HQSKMGWUDKAVMG-UHFFFAOYSA-N	-1	1	323.278	3.174	10	70		DGIEMM
CCCc1ccc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)cc1	ZINC000161291378	528627486	/nfs/dbraw/zinc/62/74/86/528627486.db2.gz	FTYZFUZFSZLZAF-UHFFFAOYSA-N	-1	1	309.362	3.285	10	70		DGIEMM
Cc1cc(S(=O)(=O)[N-]c2ccncc2C)c(Cl)cc1F	ZINC000159716314	432693092	/nfs/dbraw/zinc/69/30/92/432693092.db2.gz	ZOSSNZRVCYPBGS-UHFFFAOYSA-N	-1	1	314.769	3.292	10	70		DGIEMM
CC(C)c1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)[nH]n1	ZINC000160655126	432734499	/nfs/dbraw/zinc/73/44/99/432734499.db2.gz	FJOFCPYJEAHWTK-UHFFFAOYSA-N	-1	1	307.419	3.457	10	70		DGIEMM
CCc1onc(C)c1C(=O)[N-]c1nc(-c2cccs2)ns1	ZINC000159581402	432689258	/nfs/dbraw/zinc/68/92/58/432689258.db2.gz	AFXYNFIGFOSPMW-UHFFFAOYSA-N	-1	1	320.399	3.378	10	70		DGIEMM
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(O)cc(F)c2)c(C)c1	ZINC000161290714	228251513	/nfs/dbraw/zinc/25/15/13/228251513.db2.gz	KBKMBJKDHCLNNQ-UHFFFAOYSA-N	-1	1	309.362	3.257	10	70		DGIEMM
Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(O)cc(F)c1	ZINC000161285791	228251724	/nfs/dbraw/zinc/25/17/24/228251724.db2.gz	CPGWLFMCQMDHPW-UHFFFAOYSA-N	-1	1	315.753	3.294	10	70		DGIEMM
CC(C)c1cc([N-]S(=O)(=O)c2cccc3ccccc32)[nH]n1	ZINC000160643956	528052523	/nfs/dbraw/zinc/05/25/23/528052523.db2.gz	VDRJXVQETWBZTM-UHFFFAOYSA-N	-1	1	315.398	3.487	10	70		DGIEMM
CC(C)c1ccc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)cc1	ZINC000161299823	528126808	/nfs/dbraw/zinc/12/68/08/528126808.db2.gz	MFYMILMCLOZKKO-UHFFFAOYSA-N	-1	1	309.362	3.456	10	70		DGIEMM
Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(O)cc(F)c1	ZINC000161289567	228251553	/nfs/dbraw/zinc/25/15/53/228251553.db2.gz	SAMTWDGRWNNZSV-UHFFFAOYSA-N	-1	1	315.753	3.294	10	70		DGIEMM
O=S(=O)([N-]c1cc(O)cc(F)c1)c1ccc2c(c1)CCCC2	ZINC000161306500	228251681	/nfs/dbraw/zinc/25/16/81/228251681.db2.gz	AGXDWDXEYFVCMB-UHFFFAOYSA-N	-1	1	321.373	3.211	10	70		DGIEMM