smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CCl)Nc1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1	ZINC001164751151	720854576	/nfs/dbraw/zinc/85/45/76/720854576.db2.gz	QMDJQBMBGSJWRI-NZSAHSFTSA-N	1	1	429.956	2.230	20	50		IEGDMO
O=C(CCl)Nc1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1	ZINC001164751149	720854758	/nfs/dbraw/zinc/85/47/58/720854758.db2.gz	QMDJQBMBGSJWRI-BHIYHBOVSA-N	1	1	429.956	2.230	20	50		IEGDMO
O=C(CCl)Nc1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1	ZINC001164751153	720854960	/nfs/dbraw/zinc/85/49/60/720854960.db2.gz	QMDJQBMBGSJWRI-QXAKKESOSA-N	1	1	429.956	2.230	20	50		IEGDMO
O=C(OCCCl)N1CCc2nc(Cl)nc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2C1	ZINC001165038863	721905586	/nfs/dbraw/zinc/90/55/86/721905586.db2.gz	PVYNOOVYBYAODD-AWEZNQCLSA-N	1	1	444.363	2.165	20	50		IEGDMO
O=C(CCl)Nc1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164742999	720845274	/nfs/dbraw/zinc/84/52/74/720845274.db2.gz	IABKXDWOQTVOTN-ZHALLVOQSA-N	1	1	429.956	2.230	20	50		IEGDMO
O=C(CCl)Nc1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164742993	720845281	/nfs/dbraw/zinc/84/52/81/720845281.db2.gz	IABKXDWOQTVOTN-YQVWRLOYSA-N	1	1	429.956	2.230	20	50		IEGDMO
O=C(CCl)Nc1cccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164742991	720844991	/nfs/dbraw/zinc/84/49/91/720844991.db2.gz	IABKXDWOQTVOTN-JENIJYKNSA-N	1	1	429.956	2.230	20	50		IEGDMO
O=C(CCl)Nc1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164743001	720844946	/nfs/dbraw/zinc/84/49/46/720844946.db2.gz	IABKXDWOQTVOTN-ZIFCJYIRSA-N	1	1	429.956	2.230	20	50		IEGDMO
O=C(CCl)Nc1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1	ZINC001164751155	720854631	/nfs/dbraw/zinc/85/46/31/720854631.db2.gz	QMDJQBMBGSJWRI-YTQUADARSA-N	1	1	429.956	2.230	20	50		IEGDMO
O=C(OCCCl)N1CCc2nc(Cl)nc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2C1	ZINC001165038865	721905746	/nfs/dbraw/zinc/90/57/46/721905746.db2.gz	PVYNOOVYBYAODD-CQSZACIVSA-N	1	1	444.363	2.165	20	50		IEGDMO