smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc([N+](=O)[O-])c(P(=O)([O-])[O-])c1	ZINC000001870312	358991540	/nfs/dbraw/zinc/99/15/40/358991540.db2.gz	PWPIHQZKGQOGKL-UHFFFAOYSA-N	-3	0	247.099	0.096	40	5	in-vitro	BCBBRL
O=c1cc([O-])c2c(ccc3[nH]c(=O)cc([O-])c32)[nH]1	ZINC000005531088	342765561	/nfs/dbraw/zinc/76/55/61/342765561.db2.gz	QZVDLXNWNIQAMH-UHFFFAOYSA-N	-2	0	244.206	0.781	40	5		BCBBRL
O=C(Nc1ccc([N+](=O)[O-])cc1[O-])c1nc[nH]n1	ZINC000004866360	182362617	/nfs/dbraw/zinc/36/26/17/182362617.db2.gz	IVFPYEWOFOCGET-UHFFFAOYSA-N	-2	0	249.186	0.671	40	5		BCBBRL
O=C([O-])c1ccc(P(=O)([O-])[O-])c([N+](=O)[O-])c1	ZINC000001870297	358991176	/nfs/dbraw/zinc/99/11/76/358991176.db2.gz	ODZIVPXSEQHKBS-UHFFFAOYSA-N	-3	0	247.099	0.096	40	5		BCBBRL
O=C([O-])c1cc([N+](=O)[O-])ccc1P(=O)([O-])[O-]	ZINC000001870301	358991739	/nfs/dbraw/zinc/99/17/39/358991739.db2.gz	MCPOAUOJYJEJLX-UHFFFAOYSA-N	-3	0	247.099	0.096	40	5		BCBBRL
O=C([O-])c1ccc(P(=O)([O-])[O-])cc1[N+](=O)[O-]	ZINC000001870298	358991690	/nfs/dbraw/zinc/99/16/90/358991690.db2.gz	GIUVQJYQXOHQFI-UHFFFAOYSA-N	-3	0	247.099	0.096	40	5		BCBBRL
CCCSc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1	ZINC000095093213	169342233	/nfs/dbraw/zinc/34/22/33/169342233.db2.gz	PHMVMACIFWKESN-UHFFFAOYSA-N	-2	0	231.233	0.886	40	5		BCBBRL
COc1cc([C@@H]([NH3+])C(=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000199810321	175014062	/nfs/dbraw/zinc/01/40/62/175014062.db2.gz	IMVTYNWRCKFQLQ-SSDOTTSWSA-N	-2	0	242.187	0.393	40	5		BCBBRL
Cc1cc([N+](=O)[O-])ccc1P(=O)([O-])[O-]	ZINC000001870291	178272720	/nfs/dbraw/zinc/27/27/20/178272720.db2.gz	NKVDWVIMDKLENB-UHFFFAOYSA-N	-2	0	217.117	0.706	40	5		BCBBRL
O=c1cc([O-])c2cc3c([O-])cc(=O)[nH]c3nc2[nH]1	ZINC000005338010	342762209	/nfs/dbraw/zinc/76/22/09/342762209.db2.gz	MAOCWKCDCXFXKG-UHFFFAOYSA-N	-2	0	245.194	0.176	40	5		BCBBRL
O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)[O-]	ZINC000001587866	187583900	/nfs/dbraw/zinc/58/39/00/187583900.db2.gz	LCOPFDUKOIUDFD-UHFFFAOYSA-N	-2	0	247.184	0.540	40	5		BCBBRL
Cc1ccc(P(=O)([O-])[O-])c([N+](=O)[O-])c1	ZINC000001725592	383931180	/nfs/dbraw/zinc/93/11/80/383931180.db2.gz	HIGWXQMNWCLHJA-UHFFFAOYSA-N	-2	0	217.117	0.706	40	5		BCBBRL
O=C([O-])c1cccc(P(=O)([O-])[O-])c1[N+](=O)[O-]	ZINC000001870299	358991404	/nfs/dbraw/zinc/99/14/04/358991404.db2.gz	BZVIJENWCVSYBO-UHFFFAOYSA-N	-3	0	247.099	0.096	40	5		BCBBRL
Cc1ccc([N+](=O)[O-])cc1P(=O)([O-])[O-]	ZINC000199208276	385563537	/nfs/dbraw/zinc/56/35/37/385563537.db2.gz	PCCDEKSKEUBJRE-UHFFFAOYSA-N	-2	0	217.117	0.706	40	5		BCBBRL
O=C([O-])c1cc([N+](=O)[O-])cc(P(=O)([O-])[O-])c1	ZINC000001726096	357181271	/nfs/dbraw/zinc/18/12/71/357181271.db2.gz	JEBYQEOUNSVSMV-UHFFFAOYSA-N	-3	0	247.099	0.096	40	5		BCBBRL
Cc1ccc([N+](=O)[O-])c(P(=O)([O-])[O-])c1	ZINC000001870295	358991010	/nfs/dbraw/zinc/99/10/10/358991010.db2.gz	GMKUXZNZPRWWSH-UHFFFAOYSA-N	-2	0	217.117	0.706	40	5		BCBBRL
O=C([O-])c1c([N+](=O)[O-])cccc1P(=O)([O-])[O-]	ZINC000001870300	388011023	/nfs/dbraw/zinc/01/10/23/388011023.db2.gz	XQRYIAGXGLNCHK-UHFFFAOYSA-N	-3	0	247.099	0.096	40	5		BCBBRL
[NH3+][C@H](CC(=O)[O-])c1cc([O-])ccc1[N+](=O)[O-]	ZINC000044196803	344886802	/nfs/dbraw/zinc/88/68/02/344886802.db2.gz	WSMXFDBLFDKLBJ-SSDOTTSWSA-N	-2	0	226.188	0.775	40	5		BCBBRL
O=C([O-])CNc1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000004830628	384871443	/nfs/dbraw/zinc/87/14/43/384871443.db2.gz	CVZBWXPNOYERSL-UHFFFAOYSA-N	-2	0	240.171	0.790	40	5		BCBBRL
Cc1cc(P(=O)([O-])[O-])ccc1[N+](=O)[O-]	ZINC000001870302	178215588	/nfs/dbraw/zinc/21/55/88/178215588.db2.gz	XBCISKBYPDYYIS-UHFFFAOYSA-N	-2	0	217.117	0.706	40	5		BCBBRL
[O-]c1cccc2c1[n+]([O-])c1cccc([O-])c1[n+]2[O-]	ZINC000005701048	188081854	/nfs/dbraw/zinc/08/18/54/188081854.db2.gz	NBMOVCYIGUDQJE-UHFFFAOYSA-N	-2	0	244.206	0.671	40	5		BCBBRL
O=C([O-])CNc1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000044197542	182467962	/nfs/dbraw/zinc/46/79/62/182467962.db2.gz	ZNPDQLNSPHZPLC-UHFFFAOYSA-N	-2	0	240.171	0.790	40	5		BCBBRL
Cc1c([O-])c([N+](=O)[O-])c(=O)[n-]c1Cl	ZINC000071255555	384746110	/nfs/dbraw/zinc/74/61/10/384746110.db2.gz	ZWIROQNFPPQVBG-UHFFFAOYSA-N	-2	0	204.569	0.951	40	5		BCBBRL
O=C([O-])C(Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000002505337	188100949	/nfs/dbraw/zinc/10/09/49/188100949.db2.gz	LDIKKFOPLVSXKD-UHFFFAOYSA-N	-2	0	239.183	0.923	40	5		BCBBRL
O=C([O-])c1cc(P(=O)([O-])[O-])ccc1[N+](=O)[O-]	ZINC000001870293	358991440	/nfs/dbraw/zinc/99/14/40/358991440.db2.gz	VYNWQFVKKHWKCV-UHFFFAOYSA-N	-3	0	247.099	0.096	40	5		BCBBRL
O=C1[N-]C(=O)/C(=C/c2cccc([N+](=O)[O-])c2[O-])N1	ZINC000006240296	387619883	/nfs/dbraw/zinc/61/98/83/387619883.db2.gz	UINIBGVWABHMSR-XQRVVYSFSA-N	-2	0	249.182	0.481	40	5		BCBBRL
O=c1cc([O-])c2c(ccc3c([O-])cc(=O)[nH]c32)[nH]1	ZINC000006423876	342777688	/nfs/dbraw/zinc/77/76/88/342777688.db2.gz	SYNUURCFUWWCPC-UHFFFAOYSA-N	-2	0	244.206	0.781	40	5		BCBBRL