smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)N1CCN(/[N+]([O-])=N\Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000040566971	205072183	/nfs/dbraw/zinc/07/21/83/205072183.db2.gz	VUWQXQXCPDFPCD-QGOAFFKASA-N	0	3	370.278	1.058	1	10		FDCFHN
COC(=O)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000013831459	211061399	/nfs/dbraw/zinc/06/13/99/211061399.db2.gz	VUWQXQXCPDFPCD-AQTBWJFISA-N	0	3	370.278	1.058	1	10		FDCFHN
CC(C)CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)N	ZINC000096937352	222143998	/nfs/dbraw/zinc/14/39/98/222143998.db2.gz	MMKLRNXGWRYZGU-ZDUSSCGKSA-N	0	3	352.431	1.452	1	10		FDCFHN
CN(C)CCCn1cc(CCN(C)C)c2c1C(=O)c1cnccc1C2=O	ZINC000071331300	221343473	/nfs/dbraw/zinc/34/34/73/221343473.db2.gz	HREOHDIUHUSHJD-UHFFFAOYSA-N	0	3	354.454	1.714	1	10		FDCFHN
COc1cc(OC)c2c(c1)C(=O)c1cc(CNCCO)cc(OC)c1C2=O	ZINC000029338249	220601777	/nfs/dbraw/zinc/60/17/77/220601777.db2.gz	YLQGCNGSCYMKPD-UHFFFAOYSA-N	0	3	371.389	1.570	1	10		FDCFHN
NCC(=O)NCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000064447394	221146389	/nfs/dbraw/zinc/14/63/89/221146389.db2.gz	MOSBBOZCMNYAOV-UHFFFAOYSA-N	0	3	361.401	1.678	1	10		FDCFHN