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)Nc1ccc(S(=O)(=O)NCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-]	ZINC000514296596	1066238920	/nfs/dbraw/zinc/23/89/20/1066238920.db2.gz	JJHSRVUIWATRDF-UHFFFAOYSA-N	1	2	500.581	1.909	20	30		KDEDLO
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)CC2)cc1	ZINC000514297276	1066241175	/nfs/dbraw/zinc/24/11/75/1066241175.db2.gz	RCRDCORZLPSCMK-UHFFFAOYSA-N	1	2	523.659	1.824	20	30		KDEDLO
N#Cc1ccc(C[NH+]2CCN(C(=O)CCn3c(=O)oc4cc(S(=O)(=O)N5CCCC5)ccc43)CC2)cc1	ZINC000514388802	1066304150	/nfs/dbraw/zinc/30/41/50/1066304150.db2.gz	ZQWMKPILZLBXAA-UHFFFAOYSA-N	1	2	523.615	1.985	20	30		KDEDLO
N#Cc1ccc(C[NH+]2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccc5c(c4)OCCCO5)CC3)CC2)cc1	ZINC000514400792	1066319677	/nfs/dbraw/zinc/31/96/77/1066319677.db2.gz	AHIODPYICBUMAB-UHFFFAOYSA-N	1	2	539.658	1.370	20	30		KDEDLO
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[NH+](CCOc3ccc(Cl)cc3)CC2)CC1	ZINC000514400843	1066319436	/nfs/dbraw/zinc/31/94/36/1066319436.db2.gz	CCJTVOFGMQOIOX-UHFFFAOYSA-N	1	2	532.066	1.741	20	30		KDEDLO