smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCC[C@H](N[C@@H](C)C(=O)N1C(=O)N(Cc2ccccc2)C[C@H]1C(=O)[O-])C(=O)[O-]	ZINC000036222727	563124632	/nfs/dbraw/zinc/12/46/32/563124632.db2.gz	CKNHXDLZEFXBNR-IHPCNDPISA-N	-2	1	461.559	3.086	1	30		JGEFML
N#Cc1cccc(-c2cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c3nc4cc(C(N)=[NH2+])ccc4[nH]3)c2[O-])c1	ZINC000014956914	563007766	/nfs/dbraw/zinc/00/77/66/563007766.db2.gz	GGKPWIXGKBVTFC-QGZVFWFLSA-N	-2	1	469.457	3.401	1	30		JGEFML
COc1ccc(C#N)cc1-c1cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c2nc3cc(C(N)=[NH2+])ccc3[nH]2)c1[O-]	ZINC000014957009	563007762	/nfs/dbraw/zinc/00/77/62/563007762.db2.gz	ZIPBJYAJKROKTE-HNNXBMFYSA-N	-2	1	499.483	3.410	1	30		JGEFML
COc1ccc(C#N)cc1-c1cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c2nc3cc(C(N)=[NH2+])ccc3[nH]2)c1[O-]	ZINC000014957005	563007822	/nfs/dbraw/zinc/00/78/22/563007822.db2.gz	ZIPBJYAJKROKTE-OAHLLOKOSA-N	-2	1	499.483	3.410	1	30		JGEFML
CCCCCCCC[C@H](N[C@@H](CC)C(=O)N1C(=O)N(Cc2ccccc2)C[C@H]1C(=O)[O-])C(=O)[O-]	ZINC000036222718	563124655	/nfs/dbraw/zinc/12/46/55/563124655.db2.gz	MMGCSVIXPMTZFM-ACRUOGEOSA-N	-2	1	475.586	3.476	1	30		JGEFML
N#Cc1cccc(-c2cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c3nc4cc(C(N)=[NH2+])ccc4[nH]3)c2[O-])c1	ZINC000014956918	563007786	/nfs/dbraw/zinc/00/77/86/563007786.db2.gz	GGKPWIXGKBVTFC-KRWDZBQOSA-N	-2	1	469.457	3.401	1	30		JGEFML