smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)Oc1cc(O)cc2c1C(=O)c1c(O)cc(C)cc1C2=O	ZINC000040873418	183145455	/nfs/dbraw/zinc/14/54/55/183145455.db2.gz	AXXGOVVXDCDKQJ-UHFFFAOYSA-N	0	1	312.277	2.107	1	10		DECFMN
COc1cc(OC)c2c(c1)C(=O)C1=CC(C)O[C@H](OC)C1=C2O	ZINC000195421525	201388094	/nfs/dbraw/zinc/38/80/94/201388094.db2.gz	LTEMXFQHSPJXMG-IXBGWNDUSA-N	0	1	318.325	2.222	1	10		DECFMN
COc1ccc(N2NC(=O)/C(=C\c3ccccc3OC)C2=O)cc1	ZINC000040424375	183065448	/nfs/dbraw/zinc/06/54/48/183065448.db2.gz	PKIMDDFUWCJIKX-RVDMUPIBSA-N	0	1	324.336	2.165	1	10		DECFMN
C[N+](C)(C)Cc1cc([O-])c2c(c1)C(=O)c1cccc(O)c1C2=O	ZINC000095587583	185381683	/nfs/dbraw/zinc/38/16/83/185381683.db2.gz	FEXFJUAVGJIUNQ-UHFFFAOYSA-O	0	1	312.345	2.079	1	10		DECFMN
COc1ccc(N2NC(=O)/C(=C\c3cccc(OC)c3)C2=O)cc1	ZINC000040972727	183153507	/nfs/dbraw/zinc/15/35/07/183153507.db2.gz	SRLNVDNGUHDFAR-LFIBNONCSA-N	0	1	324.336	2.165	1	10		DECFMN
COc1cc2c(c(OC)c1O)C(=O)c1c(O)c(C)ccc1C2=O	ZINC000014760789	560225686	/nfs/dbraw/zinc/22/56/86/560225686.db2.gz	UKUQUIGVHDWZRU-UHFFFAOYSA-N	0	1	314.293	2.199	1	10	in-vitro	DECFMN
Cc1cc2c(c3c(n2C#N)C(=O)c2c(O)cccc2C3=O)c(O)c1	ZINC000005160215	560201081	/nfs/dbraw/zinc/20/10/81/560201081.db2.gz	ICZJRSZSGQYRIC-UHFFFAOYSA-N	0	1	318.288	2.466	1	10	in-vitro	DECFMN
COc1cc(OC)c2c(c1)C(=O)C1=CC(C)O[C@H](OC)C1=C2O	ZINC000195421519	201387991	/nfs/dbraw/zinc/38/79/91/201387991.db2.gz	LTEMXFQHSPJXMG-VMDBXTETSA-N	0	1	318.325	2.222	1	10		DECFMN
COc1ccc(N2NC(=O)/C(=C\c3ccccc3F)C2=O)cc1	ZINC000040972729	183153542	/nfs/dbraw/zinc/15/35/42/183153542.db2.gz	XWLNHSCKJPPJKB-GXDHUFHOSA-N	0	1	312.300	2.296	1	10		DECFMN