smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2cnc[nH]2)cc1Cl	ZINC000026177552	202140315	/nfs/dbraw/zinc/14/03/15/202140315.db2.gz	GEQYCWZSWQGYMI-UHFFFAOYSA-N	0	1	330.753	1.492	1	5		EDBFMN
CCCCCOC[C@@H](O)CO[P@](=O)([O-])OCC[N+](C)(C)C	ZINC000038791456	717126006	/nfs/dbraw/zinc/12/60/06/717126006.db2.gz	FBCWZRYNKHOPFU-CYBMUJFWSA-O	0	1	328.366	1.394	1	5		EDBFMN
CC[C@@H](C)CN1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1	ZINC000013743362	581099334	/nfs/dbraw/zinc/09/93/34/581099334.db2.gz	ZBDVIWWAJGDHPV-SECBINFHSA-N	0	1	332.360	1.529	1	5		EDBFMN
CCN1CCN(CC(=O)Nc2nc3cc([N+](=O)[O-])ccc3s2)CC1	ZINC000073155958	216357647	/nfs/dbraw/zinc/35/76/47/216357647.db2.gz	XOZKROQQFHAORW-UHFFFAOYSA-N	0	1	349.416	1.781	1	5		EDBFMN
CC(C)C[C@H](N)C(=O)N1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000028131211	202165137	/nfs/dbraw/zinc/16/51/37/202165137.db2.gz	LHKJYVGFWQWQQR-AWEZNQCLSA-N	0	1	349.391	1.949	1	5		EDBFMN
COc1cc(C(=O)Nc2nn[nH]n2)nc(-c2ccc([N+](=O)[O-])cc2)c1	ZINC000029317731	202184512	/nfs/dbraw/zinc/18/45/12/202184512.db2.gz	MJUGQQDMMGFRET-UHFFFAOYSA-N	0	1	341.287	1.431	1	5		EDBFMN