smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1c(SCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)nnc1-c1ccc(Br)cc1	ZINC000514385602	1059366304	/nfs/dbraw/zinc/36/63/04/1059366304.db2.gz	NSXRIJXNHFRRPY-IBGZPJMESA-N	1	1	508.486	3.459	20	30		KGEDMO
C=CCn1c(SCC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)nnc1-c1ccc(Br)cc1	ZINC000514385603	1059366218	/nfs/dbraw/zinc/36/62/18/1059366218.db2.gz	NSXRIJXNHFRRPY-LJQANCHMSA-N	1	1	508.486	3.459	20	30		KGEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)CC2)cc1	ZINC000514390717	1059397505	/nfs/dbraw/zinc/39/75/05/1059397505.db2.gz	UAMDDFDXYVZXIG-UHFFFAOYSA-N	1	1	501.052	3.347	20	30		KGEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)CC2)cc1	ZINC000514390717	1059397478	/nfs/dbraw/zinc/39/74/78/1059397478.db2.gz	UAMDDFDXYVZXIG-UHFFFAOYSA-N	1	1	501.052	3.347	20	30		KGEDMO
Cn1c(CCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	ZINC000514394255	1059496094	/nfs/dbraw/zinc/49/60/94/1059496094.db2.gz	LALKQURBYVCXJT-UHFFFAOYSA-N	1	1	548.713	3.287	20	30		KGEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1C#N	ZINC000514403079	1059454787	/nfs/dbraw/zinc/45/47/87/1059454787.db2.gz	RDTBEICQUUAEGD-UHFFFAOYSA-N	1	1	527.622	3.482	20	30		KGEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1C#N	ZINC000514403079	1059454778	/nfs/dbraw/zinc/45/47/78/1059454778.db2.gz	RDTBEICQUUAEGD-UHFFFAOYSA-N	1	1	527.622	3.482	20	30		KGEDMO