smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CC1S/C(=N/N=C\c2ccco2)NC1=O)Nc1ccc(Br)cc1	ZINC000035302621	527184879	/nfs/dbraw/zinc/18/48/79/527184879.db2.gz	PWXHNQMYAUGBBZ-ODGFMFMFSA-N	0	2	421.276	2.992	10	30		HFEELN
O=C(C[C@H]1S/C(=N/N=C\c2ccco2)NC1=O)Nc1ccc(Br)cc1	ZINC000035302621	527184889	/nfs/dbraw/zinc/18/48/89/527184889.db2.gz	PWXHNQMYAUGBBZ-ODGFMFMFSA-N	0	2	421.276	2.992	10	30		HFEELN
O=C(CC1S/C(=N/N=C\c2ccco2)NC1=O)Nc1ccc(Br)cc1	ZINC000035302615	527144406	/nfs/dbraw/zinc/14/44/06/527144406.db2.gz	PWXHNQMYAUGBBZ-OCTXWABXSA-N	0	2	421.276	2.992	10	30		HFEELN
O=C(C[C@@H]1S/C(=N/N=C\c2ccco2)NC1=O)Nc1ccc(Br)cc1	ZINC000035302615	527144415	/nfs/dbraw/zinc/14/44/15/527144415.db2.gz	PWXHNQMYAUGBBZ-OCTXWABXSA-N	0	2	421.276	2.992	10	30		HFEELN
NC(=S)N1N=C(c2ccccc2)C(=NNc2ccc(Br)cc2)C1=O	ZINC000005683540	557668827	/nfs/dbraw/zinc/66/88/27/557668827.db2.gz	KCGVZTJPSBAQMT-ZHZULCJRSA-N	0	2	402.277	2.707	10	30		HFEELN