smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)CC(C)(C)C[NH2+]Cc1cc(=O)oc2ccc3ccccc3c12	ZINC000057568254	564155027	/nfs/dbraw/zinc/15/50/27/564155027.db2.gz	PXYOFYDLZQEIRU-UHFFFAOYSA-N	1	3	338.451	3.624	50	5		EHBAHO
O=[N+]([O-])c1ccc(CCN2CCC(C[NH+]3CCCCCC3)CC2)cc1	ZINC000084398013	564068066	/nfs/dbraw/zinc/06/80/66/564068066.db2.gz	WFDIIZCCVXSMBO-UHFFFAOYSA-N	1	3	345.487	3.725	50	5		EHBAHO
CC[NH+]1CCC(N[C@H]2CCCc3c4cc([N+](=O)[O-])ccc4[nH]c32)CC1	ZINC000004477500	563727592	/nfs/dbraw/zinc/72/75/92/563727592.db2.gz	PWBFNNRPJWBPEF-SFHVURJKSA-N	1	3	342.443	3.527	50	5		EHBAHO
CC[NH+]1CCC(N[C@@H]2CCCc3c4cc([N+](=O)[O-])ccc4[nH]c32)CC1	ZINC000005032129	210368365	/nfs/dbraw/zinc/36/83/65/210368365.db2.gz	PWBFNNRPJWBPEF-GOSISDBHSA-N	1	3	342.443	3.527	50	5		EHBAHO