smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCC[NH+]3CCOCC3)[C@@H]21	ZINC000217603604	569880512	/nfs/dbraw/zinc/88/05/12/569880512.db2.gz	VFOYLGDLDHHSPQ-HSZRJFAPSA-N	1	2	480.521	1.267	50	70	biogenic	JDIALO
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCCc3c[nH+]c[nH]3)[C@@H]21	ZINC000217739751	569881351	/nfs/dbraw/zinc/88/13/51/569881351.db2.gz	MPTZPOOXSCCUNO-JOCHJYFZSA-N	1	2	461.478	1.901	50	70	biogenic	JDIALO
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCCc3c[nH]c[nH+]3)[C@@H]21	ZINC000217739751	569881352	/nfs/dbraw/zinc/88/13/52/569881352.db2.gz	MPTZPOOXSCCUNO-JOCHJYFZSA-N	1	2	461.478	1.901	50	70	biogenic	JDIALO
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCCc3c[nH+]c[nH]3)[C@H]21	ZINC000217739668	569881372	/nfs/dbraw/zinc/88/13/72/569881372.db2.gz	MPTZPOOXSCCUNO-QFIPXVFZSA-N	1	2	461.478	1.901	50	70	biogenic	JDIALO
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCCc3c[nH]c[nH+]3)[C@H]21	ZINC000217739668	569881373	/nfs/dbraw/zinc/88/13/73/569881373.db2.gz	MPTZPOOXSCCUNO-QFIPXVFZSA-N	1	2	461.478	1.901	50	70	biogenic	JDIALO
COc1ccc(S(=O)(=O)N2CCN(Cc3c(O)c(C[NH+]4CCCCC4)coc3=O)CC2)cc1	ZINC000218463989	569883383	/nfs/dbraw/zinc/88/33/83/569883383.db2.gz	NWFQATOGDOBDJP-UHFFFAOYSA-N	1	2	477.583	1.846	50	70		JDIALO
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCC[NH+]3CCOCC3)[C@H]21	ZINC000217663001	569880914	/nfs/dbraw/zinc/88/09/14/569880914.db2.gz	OUSMNNJVOAYMIH-DEOSSOPVSA-N	1	2	494.548	1.657	50	70	biogenic	JDIALO
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCC[NH+]3CCOCC3)[C@@H]21	ZINC000217663083	569880916	/nfs/dbraw/zinc/88/09/16/569880916.db2.gz	OUSMNNJVOAYMIH-XMMPIXPASA-N	1	2	494.548	1.657	50	70	biogenic	JDIALO
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCC[NH+]3CCOCC3)[C@H]21	ZINC000217603525	569880476	/nfs/dbraw/zinc/88/04/76/569880476.db2.gz	VFOYLGDLDHHSPQ-QHCPKHFHSA-N	1	2	480.521	1.267	50	70	biogenic	JDIALO
COc1ccccc1OCC[NH+]1CCN(C(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)CC1	ZINC000218157192	569882972	/nfs/dbraw/zinc/88/29/72/569882972.db2.gz	QPOPGKVDCPVTDL-FQEVSTJZSA-N	1	2	466.538	1.749	50	70		JDIALO
CS(=O)(=O)N1CCN(Cc2c(O)c(C[NH+]3CCN(c4ccc(Cl)cc4)CC3)coc2=O)CC1	ZINC000218423932	569883350	/nfs/dbraw/zinc/88/33/50/569883350.db2.gz	YLLFCUKKLYFEQR-UHFFFAOYSA-N	1	2	497.017	1.398	50	70		JDIALO