smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CC(C#N)=Cc1ccc(C(=O)[O-])cc1	14944534	948783562	/nfs/dbraw/zinc/78/35/62/948783562.db2.gz	KWXWJXVSQZFADE-UHFFFAOYSA-N	-1	0	198.181	1.815	40	50		ADGBRM
N#C/C(=C\c1ccc(C#N)cc1)C(=O)[O-]	1625447	956864074	/nfs/dbraw/zinc/86/40/74/956864074.db2.gz	YYLUJSBONROLKZ-BJMVGYQFSA-N	-1	0	198.181	1.550	40	50		ADGBRM
N#C/C(=C/c1ccc(C#N)cc1)C(=O)[O-]	6511902	956876712	/nfs/dbraw/zinc/87/67/12/956876712.db2.gz	YYLUJSBONROLKZ-YHYXMXQVSA-N	-1	0	198.181	1.550	40	50		ADGBRM
N#C/C(=C/c1ccccc1F)C(=O)[O-]	6513686	956876998	/nfs/dbraw/zinc/87/69/98/956876998.db2.gz	DESWKKYKBFHUTI-YVMONPNESA-N	-1	0	191.161	1.817	40	50		ADGBRM
Cn1cccc1/C=C(\C#N)C(=O)[O-]	20299078	957134877	/nfs/dbraw/zinc/13/48/77/957134877.db2.gz	CUVNHAUJSCDJHO-FNORWQNLSA-N	-1	0	176.175	1.017	40	50		ADGBRM
N#C/C(=C/c1cccnc1)C(=O)[O-]	33371881	957180472	/nfs/dbraw/zinc/18/04/72/957180472.db2.gz	SJDCYAGLGBTHKD-YWEYNIOJSA-N	-1	0	174.159	1.073	40	50		ADGBRM