smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](O)C[NH+]1CCC(CN(C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000178015587	510377926	/nfs/dbraw/zinc/37/79/26/510377926.db2.gz	JKIQQTSUUYKKSL-CYBMUJFWSA-N	1	3	355.866	2.773	10	5		FFBEHO
O=C(CCN1CCC(C[NH+]2CCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1	ZINC000103143684	508298719	/nfs/dbraw/zinc/29/87/19/508298719.db2.gz	FPLGPDLMUXHJLL-UHFFFAOYSA-N	1	3	360.458	2.731	10	5		FFBEHO
O=[N+]([O-])c1ccc(CNCC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1	ZINC000194540806	510414525	/nfs/dbraw/zinc/41/45/25/510414525.db2.gz	UIFDLFGRPQPFNG-UHFFFAOYSA-N	1	3	371.397	2.904	10	5		FFBEHO
C[C@H](O)C[NH+]1CCC(CN(C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000178015571	510377228	/nfs/dbraw/zinc/37/72/28/510377228.db2.gz	JKIQQTSUUYKKSL-ZDUSSCGKSA-N	1	3	355.866	2.773	10	5		FFBEHO
O=C(CCN1CCC(C[NH+]2CCCC2)CC1)Nc1ccccc1[N+](=O)[O-]	ZINC000103143690	250137266	/nfs/dbraw/zinc/13/72/66/250137266.db2.gz	FPXTVQBZXQACGM-UHFFFAOYSA-N	1	3	360.458	2.731	10	5		FFBEHO
C[NH+](C)CCCn1c2ccc([N+](=O)[O-])cc2nc1CCN1CCCCC1	ZINC000002016519	506271037	/nfs/dbraw/zinc/27/10/37/506271037.db2.gz	NBKWQZIMMAIXMI-UHFFFAOYSA-N	1	3	359.474	2.925	10	5		FFBEHO