smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)[C@]1(O)Cc2c3oc4ccccc4c(=O)c3cc(O)c2[C@@H](O[C@H]2C[C@@H](NC(=O)C(F)(F)F)[C@@H](O)[C@H](C)O2)C1	ZINC000026376333	561782059	/nfs/dbraw/zinc/78/20/59/561782059.db2.gz	NCDOUIXSMHWWLS-IVWLZLCMSA-N	0	1	565.497	2.519	1	5		KFBFMN
CC(=O)[C@]1(O)Cc2c3oc4ccccc4c(=O)c3cc(O)c2[C@@H](O[C@H]2C[C@@H](NC(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O2)C1	ZINC000026376335	561782062	/nfs/dbraw/zinc/78/20/62/561782062.db2.gz	NCDOUIXSMHWWLS-NUWJBWOASA-N	0	1	565.497	2.519	1	5		KFBFMN
CC(=O)[C@]1(O)Cc2c3oc4ccccc4c(=O)c3cc(O)c2[C@@H](O[C@@H]2C[C@@H](NC(=O)C(F)(F)F)[C@@H](O)[C@H](C)O2)C1	ZINC000026376337	561782028	/nfs/dbraw/zinc/78/20/28/561782028.db2.gz	NCDOUIXSMHWWLS-GLTSVYGCSA-N	0	1	565.497	2.519	1	5		KFBFMN
CC(=O)[C@]1(O)Cc2c3oc4ccccc4c(=O)c3cc(O)c2[C@@H](O[C@@H]2C[C@@H](NC(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O2)C1	ZINC000026376339	561782132	/nfs/dbraw/zinc/78/21/32/561782132.db2.gz	NCDOUIXSMHWWLS-DHOVWZHHSA-N	0	1	565.497	2.519	1	5		KFBFMN
COCCOCCOCCCCCCCCOC[C@@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(C)=O	ZINC000028759267	561957434	/nfs/dbraw/zinc/95/74/34/561957434.db2.gz	QDROKTUYVZBIFC-QHCPKHFHSA-O	0	1	530.616	2.795	1	5		KFBFMN
COCCOCCOCCCCCCCCOC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(C)=O	ZINC000028759269	561957428	/nfs/dbraw/zinc/95/74/28/561957428.db2.gz	QDROKTUYVZBIFC-HSZRJFAPSA-O	0	1	530.616	2.795	1	5		KFBFMN
Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1[N+](=O)[O-]	ZINC000028952418	561981936	/nfs/dbraw/zinc/98/19/36/561981936.db2.gz	IGKVYOMCMGKSOI-IBGZPJMESA-N	0	1	537.539	2.841	1	5		KFBFMN
COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CCCn1c2c(-c3ccccc3)nnn2c2c(c3ccccc3n2C)c1=O	ZINC000029054791	561994821	/nfs/dbraw/zinc/99/48/21/561994821.db2.gz	DEEUUUMDFVKZNT-OAQYLSRUSA-N	0	1	552.595	2.607	1	5		KFBFMN
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCn1c2c(-c3ccccc3)nnn2c2c(c3ccccc3n2C)c1=O	ZINC000029054795	561994830	/nfs/dbraw/zinc/99/48/30/561994830.db2.gz	DEEUUUMDFVKZNT-NRFANRHFSA-N	0	1	552.595	2.607	1	5		KFBFMN
COc1cc(Cn2c3ccccc3c(=O)c3cc(NC(=O)CCN(CCO)CCO)ccc32)cc(OC)c1	ZINC000064513430	562706362	/nfs/dbraw/zinc/70/63/62/562706362.db2.gz	GYOKAHRZLFGYFH-UHFFFAOYSA-N	0	1	519.598	2.835	1	5		KFBFMN
COc1ccc(-c2nc3cccc(C(=O)N[C@H](CO)[C@H](O)c4ccc([N+](=O)[O-])cc4)c3[nH]2)c(OC)c1OC	ZINC000071296354	562717491	/nfs/dbraw/zinc/71/74/91/562717491.db2.gz	ZCUMUBHAKIPVLX-DENIHFKCSA-N	0	1	522.514	2.988	1	5		KFBFMN
Cn1cc2c(n1)nc(NC(=O)NC1CCN(Cc3ccc([N+](=O)[O-])cc3)CC1)n1nc(-c3ccco3)nc21	ZINC000084708712	562750232	/nfs/dbraw/zinc/75/02/32/562750232.db2.gz	FDCSDVKQACDISW-UHFFFAOYSA-N	0	1	516.522	2.965	1	5		KFBFMN