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	720854573	/nfs/dbraw/zinc/85/45/73/720854573.db2.gz	QMDJQBMBGSJWRI-NZSAHSFTSA-N	1	0	429.956	2.230	20	50		IEGDRO
O=C(CCl)Nc1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1	ZINC001164751149	720854755	/nfs/dbraw/zinc/85/47/55/720854755.db2.gz	QMDJQBMBGSJWRI-BHIYHBOVSA-N	1	0	429.956	2.230	20	50		IEGDRO
O=C(CCl)Nc1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1	ZINC001164751153	720854959	/nfs/dbraw/zinc/85/49/59/720854959.db2.gz	QMDJQBMBGSJWRI-QXAKKESOSA-N	1	0	429.956	2.230	20	50		IEGDRO
O=C(CCl)Nc1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164742999	720845273	/nfs/dbraw/zinc/84/52/73/720845273.db2.gz	IABKXDWOQTVOTN-ZHALLVOQSA-N	1	0	429.956	2.230	20	50		IEGDRO
O=C(CCl)Nc1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164742993	720845279	/nfs/dbraw/zinc/84/52/79/720845279.db2.gz	IABKXDWOQTVOTN-YQVWRLOYSA-N	1	0	429.956	2.230	20	50		IEGDRO
O=C(CCl)Nc1cccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164742991	720844988	/nfs/dbraw/zinc/84/49/88/720844988.db2.gz	IABKXDWOQTVOTN-JENIJYKNSA-N	1	0	429.956	2.230	20	50		IEGDRO
COc1cc(C=NNC(=O)C[N+](C)(C)C)ccc1OS(=O)(=O)c1cc(C)ccc1C	ZINC000916271037	717194275	/nfs/dbraw/zinc/19/42/75/717194275.db2.gz	XHRDNTPBKWIOBG-UHFFFAOYSA-O	1	0	434.538	2.236	20	50		IEGDRO
O=C(CCl)Nc1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164743001	720844944	/nfs/dbraw/zinc/84/49/44/720844944.db2.gz	IABKXDWOQTVOTN-ZIFCJYIRSA-N	1	0	429.956	2.230	20	50		IEGDRO
O=C(CCl)Nc1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1	ZINC001164751155	720854628	/nfs/dbraw/zinc/85/46/28/720854628.db2.gz	QMDJQBMBGSJWRI-YTQUADARSA-N	1	0	429.956	2.230	20	50		IEGDRO