smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)S(=O)(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c1	ZINC000514299167	1059228279	/nfs/dbraw/zinc/22/82/79/1059228279.db2.gz	BDJJLKMGJASQQS-UHFFFAOYSA-N	0	1	542.706	3.019	20	30		KGEDMN
C=CCn1c(SCC(=O)NC[C@H]2CN(CC(C)C)CCO2)nnc1-c1ccc(Br)cc1	ZINC000514385602	1059366325	/nfs/dbraw/zinc/36/63/25/1059366325.db2.gz	NSXRIJXNHFRRPY-IBGZPJMESA-N	0	1	508.486	3.459	20	30		KGEDMN
C=CCn1c(SCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)nnc1-c1ccc(Br)cc1	ZINC000514385603	1059366240	/nfs/dbraw/zinc/36/62/40/1059366240.db2.gz	NSXRIJXNHFRRPY-LJQANCHMSA-N	0	1	508.486	3.459	20	30		KGEDMN
CCN1CCN(c2ccc(Cl)cc2NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1	ZINC000514387677	1059380087	/nfs/dbraw/zinc/38/00/87/1059380087.db2.gz	IFJJMRIUYBEBQT-UHFFFAOYSA-N	0	1	516.067	3.393	20	30		KGEDMN
Cn1c(CCC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	ZINC000514394255	1059496108	/nfs/dbraw/zinc/49/61/08/1059496108.db2.gz	LALKQURBYVCXJT-UHFFFAOYSA-N	0	1	548.713	3.287	20	30		KGEDMN