smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]c(=O)c(C#N)cc1C(=O)[O-]	34085066	343110334	/nfs/dbraw/zinc/11/03/34/343110334.db2.gz	MNXXXEZREMODQB-UHFFFAOYSA-N	-2	1	178.147	0.253	50	30	in-vitro	ACEAML
Cc1c(C(=O)[O-])c[n-]c(=O)c1C#N	66324823	343409848	/nfs/dbraw/zinc/40/98/48/343409848.db2.gz	MPDUSZMEFYFEBK-UHFFFAOYSA-N	-2	1	178.147	0.253	50	30	in-vitro	ACEAML
Cc1cc(C#N)c(=O)[n-]c1C(=O)[O-]	82398021	343601356	/nfs/dbraw/zinc/60/13/56/343601356.db2.gz	OJUKXXVTUWJFGI-UHFFFAOYSA-N	-2	1	178.147	0.253	50	30	in-vitro	ACEAML
COC(=O)c1sc(C#N)c([O-])c1[O-]	20280921	168138835	/nfs/dbraw/zinc/13/88/35/168138835.db2.gz	VUBFZWRHRXLGPJ-UHFFFAOYSA-N	-2	1	199.187	0.818	50	30	in-vitro	ACEAML
N#Cc1cc(F)c([O-])[n-]c1=O	12958601	169116490	/nfs/dbraw/zinc/11/64/90/169116490.db2.gz	JWNUZZLUDDUXPO-UHFFFAOYSA-N	-2	1	154.100	0.504	50	30	in-vitro	ACEAML
N#Cc1c[n-]n2c(=O)cc([O-])nc12	71475489	169130814	/nfs/dbraw/zinc/13/08/14/169130814.db2.gz	IPVQNDKDCFOITG-UHFFFAOYSA-N	-2	1	176.135	0.012	50	30		ACEAML
O=C([O-])C=NNc1ccc(=S)[n-]n1	2259119	169335051	/nfs/dbraw/zinc/33/50/51/169335051.db2.gz	WSUYLVCIWRDYGX-XVNBXDOJSA-N	-2	1	198.207	0.621	50	30		ACEAML
O=C([O-])COc1ccccc1/C=N/[O-]	2572304	169342366	/nfs/dbraw/zinc/34/23/66/169342366.db2.gz	KDKVFENTGYJSML-BJMVGYQFSA-N	-2	1	195.174	0.958	50	30		ACEAML
O=C([O-])c1ccc(/C=N\[O-])o1	80301001	169357841	/nfs/dbraw/zinc/35/78/41/169357841.db2.gz	LWSSJUVLXRPTBZ-CLTKARDFSA-N	-2	1	155.109	0.786	50	30		ACEAML
O=CC(=C[O-])c1cccc(C(=O)[O-])n1	100000523	169395774	/nfs/dbraw/zinc/39/57/74/169395774.db2.gz	WVLIQUPRRVSTGK-UHFFFAOYSA-N	-2	1	193.158	0.261	50	30	in-vitro	ACEAML
O=CC(=C[O-])c1ccc(C(=O)[O-])cn1	100000524	169396113	/nfs/dbraw/zinc/39/61/13/169396113.db2.gz	ASEYNVDFAPPYDR-UHFFFAOYSA-N	-2	1	193.158	0.261	50	30	in-vitro	ACEAML
CC([O-])=C1C(=O)[N-]C(=O)SC1=O	100021605	171143442	/nfs/dbraw/zinc/14/34/42/171143442.db2.gz	LCWRKJHQBCUKMY-NSCUHMNNSA-N	-2	1	187.176	0.328	50	30		ACEAML
O=C([O-])c1cccc(/C=N/[O-])c1O	246458	342932029	/nfs/dbraw/zinc/93/20/29/342932029.db2.gz	ODJUAOYUYSAJAY-RUDMXATFSA-N	-2	1	181.147	0.899	50	30	biogenic	ACEAML
Cc1cc(C(=O)[O-])c(C#N)c(=O)[n-]1	8627856	343019056	/nfs/dbraw/zinc/01/90/56/343019056.db2.gz	VFYCCYIDGPBAMJ-UHFFFAOYSA-N	-2	1	178.147	0.253	50	30		ACEAML