smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2nc(/C=C\c3ccc(O)c([N+](=O)[O-])c3)cc(C(=O)[O-])c2c1	ZINC000436926487	944813676	/nfs/dbraw/zinc/81/36/76/944813676.db2.gz	LXHXRIUWPAJHLV-RQOWECAXSA-N	-1	2	366.329	3.726	20	5		FHBDLM
C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1	ZINC000519749611	945715792	/nfs/dbraw/zinc/71/57/92/945715792.db2.gz	XJLXQNVITAPNQQ-LPHOPBHVSA-N	-1	2	360.385	3.792	20	5		FHBDLM
O=C([O-])c1cnc(-c2ccccc2)nc1/C=C\c1ccc(O)c([N+](=O)[O-])c1	ZINC000436858502	944723076	/nfs/dbraw/zinc/72/30/76/944723076.db2.gz	GAGSOXBCZZURFT-VURMDHGXSA-N	-1	2	363.329	3.626	20	5		FHBDLM
O=C([O-])c1cc(NC(=O)c2nc(-c3ccccc3)cs2)cc([N+](=O)[O-])c1	ZINC000833299702	600975231	/nfs/dbraw/zinc/97/52/31/600975231.db2.gz	FWFIGBWRVLVKCC-UHFFFAOYSA-N	-1	2	369.358	3.669	20	5		FHBDLM
C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1	ZINC000519749613	945715554	/nfs/dbraw/zinc/71/55/54/945715554.db2.gz	XJLXQNVITAPNQQ-QFBILLFUSA-N	-1	2	360.385	3.792	20	5		FHBDLM
O=[N+]([O-])c1ccc(O)cc1CN[C@@H](C[NH+]1CCCCC1)c1ccccc1	ZINC000610786724	934185633	/nfs/dbraw/zinc/18/56/33/934185633.db2.gz	UBDCTZLRQDIXGU-IBGZPJMESA-N	-1	2	355.438	3.617	20	5		FHBDLM
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(C[NH+]2CCCCC2)c1	ZINC000413646012	942447788	/nfs/dbraw/zinc/44/77/88/942447788.db2.gz	DTYSEMSVGZPNHN-UHFFFAOYSA-N	-1	2	355.394	3.539	20	5		FHBDLM
O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1cc(Cl)c(O)cc1Cl	ZINC000436774591	944604210	/nfs/dbraw/zinc/60/42/10/944604210.db2.gz	UCVBDAFFVNWSEH-OWOJBTEDSA-N	-1	2	355.133	3.871	20	5		FHBDLM
C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1	ZINC000519749622	945715273	/nfs/dbraw/zinc/71/52/73/945715273.db2.gz	XJLXQNVITAPNQQ-VQIMIIECSA-N	-1	2	360.385	3.792	20	5		FHBDLM
C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1	ZINC000519749582	945716044	/nfs/dbraw/zinc/71/60/44/945716044.db2.gz	XJLXQNVITAPNQQ-APWZRJJASA-N	-1	2	360.385	3.792	20	5		FHBDLM
O=[N+]([O-])c1ccc(O)cc1CN[C@H](C[NH+]1CCCCC1)c1ccccc1	ZINC000610786725	934186101	/nfs/dbraw/zinc/18/61/01/934186101.db2.gz	UBDCTZLRQDIXGU-LJQANCHMSA-N	-1	2	355.438	3.617	20	5		FHBDLM