smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH]n(-c2ccccc2)c(=O)c1C(C#N)(C#N)c1c(C)[nH]n(-c2ccccc2)c1=O	ZINC000100998458	560766275	/nfs/dbraw/zinc/76/62/75/560766275.db2.gz	RJGPKMSLXOTRIZ-PMACEKPBSA-N	-1	2	410.437	3.098	50	30		HGEALM
Cc1[n-]n(-c2ccccc2)c(=O)c1C(C#N)(C#N)c1c(C)[nH]n(-c2ccccc2)c1=O	ZINC000100998458	560766277	/nfs/dbraw/zinc/76/62/77/560766277.db2.gz	RJGPKMSLXOTRIZ-PMACEKPBSA-N	-1	2	410.437	3.098	50	30		HGEALM
Cc1[nH]n(-c2ccccc2)c(=O)c1C(C#N)(C#N)c1c(C)[nH]n(-c2ccccc2)c1=O	ZINC000100998456	560766287	/nfs/dbraw/zinc/76/62/87/560766287.db2.gz	RJGPKMSLXOTRIZ-WOJBJXKFSA-N	-1	2	410.437	3.098	50	30		HGEALM
Cc1[n-]n(-c2ccccc2)c(=O)c1C(C#N)(C#N)c1c(C)[nH]n(-c2ccccc2)c1=O	ZINC000100998456	560766288	/nfs/dbraw/zinc/76/62/88/560766288.db2.gz	RJGPKMSLXOTRIZ-WOJBJXKFSA-N	-1	2	410.437	3.098	50	30		HGEALM
O=C([O-])Cc1sc([N-][NH+]=Cc2ccc(OCc3cccc(Cl)c3)cc2)nc1O	ZINC000006974456	557731754	/nfs/dbraw/zinc/73/17/54/557731754.db2.gz	ZGWPWPYPZQJVAH-CTJICSLTSA-N	-1	2	417.874	3.315	50	30		HGEALM
Cc1[n-]n(-c2ccccc2)c(=O)c1C(C#N)(C#N)c1c(C)[nH]n(-c2ccccc2)c1=O	ZINC000016607635	569060660	/nfs/dbraw/zinc/06/06/60/569060660.db2.gz	RJGPKMSLXOTRIZ-BGYRXZFFSA-N	-1	2	410.437	3.098	50	30		HGEALM
C=CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC	ZINC000033399149	519015841	/nfs/dbraw/zinc/01/58/41/519015841.db2.gz	BEEJZIZYHVZZEZ-WJDWOHSUSA-N	-1	2	422.393	3.465	50	30		HGEALM
O=C([O-])Cc1sc([N-][NH+]=Cc2ccc(OCc3ccc(Cl)cc3)cc2)nc1O	ZINC000006996802	557732539	/nfs/dbraw/zinc/73/25/39/557732539.db2.gz	VVANUFHZPOBCDZ-PPAWOMOGSA-N	-1	2	417.874	3.315	50	30		HGEALM
O=C1CSC(=S)N1N=Cc1cc(Br)c([O-])c(Br)c1	ZINC000252511519	569291785	/nfs/dbraw/zinc/29/17/85/569291785.db2.gz	HOSOYLASWSYYAN-UHFFFAOYSA-N	-1	2	410.112	3.111	50	30		HGEALM
O=C([O-])c1ccc(NC(=O)CC2S/C(=N\N=C\C=C\c3ccccc3)NC2=O)cc1	ZINC000015767690	558752041	/nfs/dbraw/zinc/75/20/41/558752041.db2.gz	NYTZJPXHGVYRJH-CWSMFDFKSA-N	-1	2	422.466	3.000	50	30		HGEALM
O=C([O-])c1ccc(NC(=O)C[C@H]2S/C(=N\N=C\C=C\c3ccccc3)NC2=O)cc1	ZINC000015767690	558752042	/nfs/dbraw/zinc/75/20/42/558752042.db2.gz	NYTZJPXHGVYRJH-CWSMFDFKSA-N	-1	2	422.466	3.000	50	30		HGEALM