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@]1(O)CC2(CCN(C(=O)[C@H](N)CCCC[NH3+])CC2)OC[C@@H]1n1cnc2c1nc(N)nc2N	ZINC000257227927	570116454	/nfs/dbraw/zinc/11/64/54/570116454.db2.gz	FROZKTHBZQUNRJ-CKNLXJGOSA-N	1	3	461.571	-0.479	40	0		JBABHO
C[C@]1(O)CC2(CCN(C(=O)[C@@H](N)CCCC[NH3+])CC2)OC[C@@H]1n1cnc2c1nc(N)nc2N	ZINC000257227928	570116451	/nfs/dbraw/zinc/11/64/51/570116451.db2.gz	FROZKTHBZQUNRJ-YRVVQQKDSA-N	1	3	461.571	-0.479	40	0		JBABHO
C[C@]1(O)COC2(CCN(C(=O)[C@H](N)CCCC[NH3+])CC2)C[C@@H]1n1cnc2c1nc(N)nc2N	ZINC000257239382	570120048	/nfs/dbraw/zinc/12/00/48/570120048.db2.gz	HPBISWUDMLDUQD-CKNLXJGOSA-N	1	3	461.571	-0.479	40	0		JBABHO
C[C@]1(O)COC2(CCN(C(=O)[C@@H](N)CCCC[NH3+])CC2)C[C@@H]1n1cnc2c1nc(N)nc2N	ZINC000257239383	570120018	/nfs/dbraw/zinc/12/00/18/570120018.db2.gz	HPBISWUDMLDUQD-YRVVQQKDSA-N	1	3	461.571	-0.479	40	0		JBABHO
C[C@@]1(O)CC2(CCN(C(=O)[C@H](N)CCCC[NH3+])CC2)OC[C@H]1n1cnc2c1nc(N)nc2N	ZINC000585284439	1067718339	/nfs/dbraw/zinc/71/83/39/1067718339.db2.gz	FROZKTHBZQUNRJ-ARGWCVDVSA-N	1	3	461.571	-0.479	40	0		JBABHO
C[C@@]1(O)CC2(CCN(C(=O)[C@@H](N)CCCC[NH3+])CC2)OC[C@H]1n1cnc2c1nc(N)nc2N	ZINC000585284445	1067718461	/nfs/dbraw/zinc/71/84/61/1067718461.db2.gz	FROZKTHBZQUNRJ-LRDNONRASA-N	1	3	461.571	-0.479	40	0		JBABHO