smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[C@@H](NC(=O)C[C@H]1S/C(=N/N=C/C=C/c2ccccc2)NC1=O)C(=O)[O-]	ZINC000004537268	557564749	/nfs/dbraw/zinc/56/47/49/557564749.db2.gz	KMFVNAXCEGHFLP-KVHYOIPPSA-N	-1	2	416.503	2.279	40	30		HEEBLM
CC(C)C[C@@H](NC(=O)CC1S/C(=N/N=C/C=C/c2ccccc2)NC1=O)C(=O)[O-]	ZINC000004537268	557564751	/nfs/dbraw/zinc/56/47/51/557564751.db2.gz	KMFVNAXCEGHFLP-KVHYOIPPSA-N	-1	2	416.503	2.279	40	30		HEEBLM
CC(C)C[C@H](NC(=O)C[C@H]1S/C(=N/N=C/C=C/c2ccccc2)NC1=O)C(=O)[O-]	ZINC000004537266	557564734	/nfs/dbraw/zinc/56/47/34/557564734.db2.gz	KMFVNAXCEGHFLP-YBBOGSMMSA-N	-1	2	416.503	2.279	40	30		HEEBLM
CC(C)C[C@H](NC(=O)CC1S/C(=N/N=C/C=C/c2ccccc2)NC1=O)C(=O)[O-]	ZINC000004537266	557564737	/nfs/dbraw/zinc/56/47/37/557564737.db2.gz	KMFVNAXCEGHFLP-YBBOGSMMSA-N	-1	2	416.503	2.279	40	30		HEEBLM
CC(C)C[C@@H](NC(=O)C[C@@H]1S/C(=N/N=C/C=C/c2ccccc2)NC1=O)C(=O)[O-]	ZINC000004537273	557564691	/nfs/dbraw/zinc/56/46/91/557564691.db2.gz	KMFVNAXCEGHFLP-SNXHFCBISA-N	-1	2	416.503	2.279	40	30		HEEBLM
CC(C)C[C@@H](NC(=O)CC1S/C(=N/N=C/C=C/c2ccccc2)NC1=O)C(=O)[O-]	ZINC000004537273	557564695	/nfs/dbraw/zinc/56/46/95/557564695.db2.gz	KMFVNAXCEGHFLP-SNXHFCBISA-N	-1	2	416.503	2.279	40	30		HEEBLM
Nc1nc(=O)c(N=Nc2ccc(S(=O)(=O)[N-]C(=O)c3ccccc3)cc2)c(N)[nH]1	ZINC000018042002	527553627	/nfs/dbraw/zinc/55/36/27/527553627.db2.gz	ICCJTKXQWZHRIO-GHVJWSGMSA-N	-1	2	413.419	2.043	40	30		HEEBLM
CC(C)C[C@H](NC(=O)C[C@@H]1S/C(=N/N=C/C=C/c2ccccc2)NC1=O)C(=O)[O-]	ZINC000004537270	557564758	/nfs/dbraw/zinc/56/47/58/557564758.db2.gz	KMFVNAXCEGHFLP-UEMJVNLNSA-N	-1	2	416.503	2.279	40	30		HEEBLM
CC(C)C[C@H](NC(=O)CC1S/C(=N/N=C/C=C/c2ccccc2)NC1=O)C(=O)[O-]	ZINC000004537270	557564760	/nfs/dbraw/zinc/56/47/60/557564760.db2.gz	KMFVNAXCEGHFLP-UEMJVNLNSA-N	-1	2	416.503	2.279	40	30		HEEBLM