smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C/C(=N\NC(=S)N[C@H](CCC(=O)[O-])C(=O)[O-])c1ccccn1	ZINC000005811863	181285734	/nfs/dbraw/zinc/28/57/34/181285734.db2.gz	WRESCHAULIZHSW-LYQMGENXSA-N	-2	0	324.362	0.588	1	30		DCEFRL
CS(=O)(=O)[N-]C(=O)[C@@H](N)CCSCCCCC(=O)[O-]	ZINC000096928964	185392331	/nfs/dbraw/zinc/39/23/31/185392331.db2.gz	XOMHYJQIPCZNQH-QMMMGPOBSA-N	-2	0	312.413	0.608	1	30		DCEFRL
N#Cc1cc(NC(=O)C(=O)[O-])cc(NC(=O)C(=O)[O-])c1Cl	ZINC000039333567	183017536	/nfs/dbraw/zinc/01/75/36/183017536.db2.gz	LTSXIYKOKLEPEL-UHFFFAOYSA-N	-2	0	311.637	0.258	1	30		DCEFRL
O=C([O-])C(=O)CC(=O)c1cccc(C(=O)CC(=O)C(=O)[O-])c1	ZINC000005974011	181302771	/nfs/dbraw/zinc/30/27/71/181302771.db2.gz	CHOSQOFQIWKJAT-OZDSWYPASA-N	-2	0	306.226	0.792	1	30		DCEFRL
CCCCCCC[NH2+]CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000095583770	185380894	/nfs/dbraw/zinc/38/08/94/185380894.db2.gz	LTKNPCBWFPJZHN-UHFFFAOYSA-N	-3	0	319.231	0.548	1	30		DCEFRL
O=C([O-])C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)[O-]	ZINC000059807513	184140850	/nfs/dbraw/zinc/14/08/50/184140850.db2.gz	CDEWSNIFQPDLLX-MNOVXSKESA-N	-2	0	311.359	0.819	1	30		DCEFRL
CS(=O)(=O)[N-]C(=O)[C@H](N)CCSCCCCC(=O)[O-]	ZINC000096928963	185392342	/nfs/dbraw/zinc/39/23/42/185392342.db2.gz	XOMHYJQIPCZNQH-MRVPVSSYSA-N	-2	0	312.413	0.608	1	30		DCEFRL
C/C(=N\NC(=S)N[C@@H](CCC(=O)[O-])C(=O)[O-])c1ccccn1	ZINC000005811862	181285515	/nfs/dbraw/zinc/28/55/15/181285515.db2.gz	WRESCHAULIZHSW-MDKXCRPYSA-N	-2	0	324.362	0.588	1	30		DCEFRL