smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(NC(=O)Nc2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000004830953	210290870	/nfs/dbraw/zinc/29/08/70/210290870.db2.gz	UQAVJXFBFYYDFK-UHFFFAOYSA-N	1	2	343.386	5.041	40	10		EKCBLO
S=C(Nc1ccccc1)Nc1c2ccccc2[nH+]c2ccccc21	ZINC000004830954	201621490	/nfs/dbraw/zinc/62/14/90/201621490.db2.gz	METGQTUDSLXHDD-UHFFFAOYSA-N	1	2	329.428	5.197	40	10		EKCBLO
O=C(Nc1c2ccccc2[nH+]c2ccccc21)c1ccc(Cl)cc1	ZINC000004871453	563514746	/nfs/dbraw/zinc/51/47/46/563514746.db2.gz	LRDVNPLNINXXLZ-UHFFFAOYSA-N	1	2	332.790	5.294	40	10		EKCBLO
Cc1cc(-c2nc3ccccc3s2)c(C)n1-c1ccc([NH+](C)C)cc1	ZINC000006961719	564126421	/nfs/dbraw/zinc/12/64/21/564126421.db2.gz	DPISEKIVKHQVMY-UHFFFAOYSA-N	1	2	347.487	5.437	40	10		EKCBLO
O=C(Nc1ccc(Cl)cc1)Nc1c2ccccc2[nH+]c2ccccc21	ZINC000019015420	211996831	/nfs/dbraw/zinc/99/68/31/211996831.db2.gz	MPTMBHZGUUOZIM-UHFFFAOYSA-N	1	2	347.805	5.685	40	10		EKCBLO
O=C(Nc1cccc(Cl)c1)Nc1c2ccccc2[nH+]c2ccccc21	ZINC000019015422	563853242	/nfs/dbraw/zinc/85/32/42/563853242.db2.gz	GMHBGNXMMPBWGJ-UHFFFAOYSA-N	1	2	347.805	5.685	40	10		EKCBLO
Cc1ccc(-c2ccc(F)c(Cl)c2)n1-c1ccc([NH+](C)C)cc1	ZINC000228925961	564118148	/nfs/dbraw/zinc/11/81/48/564118148.db2.gz	LSIBRHAMPYXSNB-UHFFFAOYSA-N	1	2	328.818	5.311	40	10		EKCBLO
Cc1ccc(-c2ccccc2C(F)(F)F)n1-c1ccc([NH+](C)C)cc1	ZINC000228928396	564118128	/nfs/dbraw/zinc/11/81/28/564118128.db2.gz	DUXDCSQXZNLXEY-UHFFFAOYSA-N	1	2	344.380	5.538	40	10		EKCBLO
CCCOc1ccc(-c2ccc(C)n2-c2ccc([NH+](C)C)cc2)cc1	ZINC000228928868	564118130	/nfs/dbraw/zinc/11/81/30/564118130.db2.gz	WEDTWJKUADOBFN-UHFFFAOYSA-N	1	2	334.463	5.308	40	10		EKCBLO
Cc1ccc(-c2ccc(C(F)F)cc2)n1-c1ccc([NH+](C)C)cc1	ZINC000390823160	564173676	/nfs/dbraw/zinc/17/36/76/564173676.db2.gz	UWANGMXCGUUFHY-UHFFFAOYSA-N	1	2	326.390	5.456	40	10		EKCBLO