smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1nnc(C2=C(O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4)o3)SC2=N)s1	ZINC000135829065	556720791	/nfs/dbraw/zinc/72/07/91/556720791.db2.gz	HCFIHWRPVWVWTK-JAVZXRLNSA-N	-1	2	425.491	4.477	40	0		IIABLM
CCc1ccccc1NC(=O)C(=O)C(=C(O)c1ccc(OC)cc1)c1ccc(OC)cc1	ZINC000102933697	557310100	/nfs/dbraw/zinc/31/01/00/557310100.db2.gz	KHSCGJATQXQZQI-QHCPKHFHSA-N	-1	2	431.488	4.441	40	0		IIABLM
COc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)cc1Br	ZINC000224954944	569182435	/nfs/dbraw/zinc/18/24/35/569182435.db2.gz	KSFMLDZQPLGHPU-UHFFFAOYSA-N	-1	2	425.348	4.249	40	0		IIABLM
Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccc(C(=O)[O-])cc2)cc1	ZINC000016310444	556599347	/nfs/dbraw/zinc/59/93/47/556599347.db2.gz	LJHHKUBJUZNUAI-UHFFFAOYSA-N	-1	2	448.504	4.049	40	0		IIABLM
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4C)o3)C2=O)cc1	ZINC000108003733	569252039	/nfs/dbraw/zinc/25/20/39/569252039.db2.gz	FVIMIUJMPJGWNG-MOSHPQCFSA-N	-1	2	444.443	4.182	40	0		IIABLM
O=c1[nH]c2ccccc2c([O-])c1C(c1cc(F)cc(F)c1)c1c(=O)[nH]c2ccccc2c1O	ZINC000019644411	557504697	/nfs/dbraw/zinc/50/46/97/557504697.db2.gz	SYJXDRQGMHZZMU-UHFFFAOYSA-N	-1	2	446.409	4.239	40	0		IIABLM
CCc1ccccc1NC(=O)C(=O)C(=C(O)c1ccc(OC)cc1)c1ccc(OC)cc1	ZINC000102933700	557310134	/nfs/dbraw/zinc/31/01/34/557310134.db2.gz	KHSCGJATQXQZQI-HSZRJFAPSA-N	-1	2	431.488	4.441	40	0		IIABLM
Cc1cc(S(=O)(=O)Nc2nc(Nc3ccc(Cl)cc3)n[nH]2)c([S-])cc1Cl	ZINC000001642331	555707894	/nfs/dbraw/zinc/70/78/94/555707894.db2.gz	GRYIAOMDOBRKIU-UHFFFAOYSA-N	-1	2	430.342	4.253	40	0		IIABLM