smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(-c2ccc(C(=O)NC(C)=O)o2)c([N+](=O)[O-])c1	ZINC000085346816	426249707	/nfs/dbraw/zinc/24/97/07/426249707.db2.gz	LQXFKUSBEKJZNV-UHFFFAOYSA-N	0	0	318.285	2.530	30	5		DFBCRN
CC(=O)NC(=O)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	ZINC000085346807	275778426	/nfs/dbraw/zinc/77/84/26/275778426.db2.gz	XWTBJGIOYBSROK-UHFFFAOYSA-N	0	0	308.677	2.785	30	5		DFBCRN
NC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccccc3F)oc21	ZINC000073641861	191335320	/nfs/dbraw/zinc/33/53/20/191335320.db2.gz	RHHPEPBGJVKCBU-UHFFFAOYSA-N	0	0	301.233	2.641	30	5		DFBCRN
COC(=O)C(C)(C)Nc1ccc(Br)cc1[N+](=O)[O-]	ZINC000098209815	426480165	/nfs/dbraw/zinc/48/01/65/426480165.db2.gz	JQJJCBSZZGLUIU-UHFFFAOYSA-N	0	0	317.139	2.721	30	5		DFBCRN
COc1ccc(C(=O)Nc2cccc([C@@H](C)O)c2)cc1[N+](=O)[O-]	ZINC000226274656	426618519	/nfs/dbraw/zinc/61/85/19/426618519.db2.gz	ODLHIEDWRIUCKJ-SNVBAGLBSA-N	0	0	316.313	2.909	30	5		DFBCRN
C[C@H](O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1	ZINC000226273982	201770864	/nfs/dbraw/zinc/77/08/64/201770864.db2.gz	UVIUPXFJHJUNSM-NSHDSACASA-N	0	0	300.314	2.829	30	5		DFBCRN
Cc1ccc(C(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)cc1	ZINC000073642278	191334696	/nfs/dbraw/zinc/33/46/96/191334696.db2.gz	QGDXJTBGIXUCIK-UHFFFAOYSA-N	0	0	309.325	2.983	30	5		DFBCRN
Cc1cn2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)sc2n1	ZINC000089702193	426303345	/nfs/dbraw/zinc/30/33/45/426303345.db2.gz	SJKGCFZHSFFKKZ-UHFFFAOYSA-N	0	0	302.315	2.865	30	5		DFBCRN
NC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccc(F)cc3)oc21	ZINC000073641885	283368186	/nfs/dbraw/zinc/36/81/86/283368186.db2.gz	ATRVPIUJXFCHBJ-UHFFFAOYSA-N	0	0	301.233	2.641	30	5		DFBCRN
CN(c1ccccc1)c1c2nonc2c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000005319633	542416658	/nfs/dbraw/zinc/41/66/58/542416658.db2.gz	ZAQBNVOTFNDEKR-UHFFFAOYSA-N	0	0	315.245	2.807	30	5		DFBCRN
Cc1ccccc1C(=O)N1CCN=Cc2cc([N+](=O)[O-])ccc21	ZINC000073642274	426029234	/nfs/dbraw/zinc/02/92/34/426029234.db2.gz	TVHFDZGHDYXLMM-UHFFFAOYSA-N	0	0	309.325	2.983	30	5		DFBCRN
COC1CCC(N(C)C(=O)CCc2cccc([N+](=O)[O-])c2)CC1	ZINC000087298205	426270236	/nfs/dbraw/zinc/27/02/36/426270236.db2.gz	CGAHXXPQULJPBT-UHFFFAOYSA-N	0	0	320.389	2.943	30	5		DFBCRN
Cc1cc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)no1	ZINC000058863700	425898301	/nfs/dbraw/zinc/89/83/01/425898301.db2.gz	OAVTXBHTBYYECZ-UHFFFAOYSA-N	0	0	323.264	2.845	30	5		DFBCRN
COC(=O)COc1c(Cl)cc([N+](=O)[O-])cc1Br	ZINC000226241233	426618934	/nfs/dbraw/zinc/61/89/34/426618934.db2.gz	BZLYKTNUPLEXOS-UHFFFAOYSA-N	0	0	324.514	2.563	30	5		DFBCRN
CCOc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)NC(C)=O)o1	ZINC000085346803	192494409	/nfs/dbraw/zinc/49/44/09/192494409.db2.gz	XCTNJMQZDCZMRG-UHFFFAOYSA-N	0	0	318.285	2.530	30	5		DFBCRN
CCOC(=O)Oc1c(Cl)cc2sc(=O)oc2c1[N+](=O)[O-]	ZINC000005869940	181291764	/nfs/dbraw/zinc/29/17/64/181291764.db2.gz	ARDBIVWNOKBERC-UHFFFAOYSA-N	0	0	319.678	2.951	30	5		DFBCRN
COc1ccc(C(=O)Nc2ccc([C@H](C)O)cc2)cc1[N+](=O)[O-]	ZINC000226273546	426617782	/nfs/dbraw/zinc/61/77/82/426617782.db2.gz	WOJNLQQMNABJHT-JTQLQIEISA-N	0	0	316.313	2.909	30	5		DFBCRN
NC(=O)c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1	ZINC000073640475	283369022	/nfs/dbraw/zinc/36/90/22/283369022.db2.gz	GXHMQARSOSAQRV-UHFFFAOYSA-N	0	0	311.091	2.716	30	5		DFBCRN
NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000073640123	283369286	/nfs/dbraw/zinc/36/92/86/283369286.db2.gz	UKRMRMXCUVMFQP-UHFFFAOYSA-N	0	0	311.091	2.716	30	5		DFBCRN
Cn1ccnc1COc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000096009515	193489061	/nfs/dbraw/zinc/48/90/61/193489061.db2.gz	JETHESYHVVQLKI-UHFFFAOYSA-N	0	0	301.224	2.926	30	5		DFBCRN
COC(=O)COc1c(Br)cc(Cl)cc1[N+](=O)[O-]	ZINC000037250540	425847664	/nfs/dbraw/zinc/84/76/64/425847664.db2.gz	HHZICMNPDJFIFE-UHFFFAOYSA-N	0	0	324.514	2.563	30	5		DFBCRN
CC(=O)NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	ZINC000085346798	426250267	/nfs/dbraw/zinc/25/02/67/426250267.db2.gz	NJLYKNAXJPPESP-UHFFFAOYSA-N	0	0	308.677	2.785	30	5		DFBCRN
CCC1([N+](=O)[O-])COC(c2ccc(Br)o2)OC1	ZINC000003171546	275965983	/nfs/dbraw/zinc/96/59/83/275965983.db2.gz	PLJGZRFOHPTMIR-UHFFFAOYSA-N	0	0	306.112	2.513	30	5		DFBCRN
O=[N+]([O-])c1ccc2nc(N3CCC(n4cncn4)CC3)ccc2c1	ZINC000071899498	426000654	/nfs/dbraw/zinc/00/06/54/426000654.db2.gz	VZPGGBQDGFAZIR-UHFFFAOYSA-N	0	0	324.344	2.576	30	5		DFBCRN
O=C(Cc1ccccc1)N1CCN=Cc2cc([N+](=O)[O-])ccc21	ZINC000073642299	191335420	/nfs/dbraw/zinc/33/54/20/191335420.db2.gz	DAGOTPNOZBXREY-UHFFFAOYSA-N	0	0	309.325	2.603	30	5		DFBCRN
COC(=O)COc1c(Cl)cc(Br)cc1[N+](=O)[O-]	ZINC000147010809	186038256	/nfs/dbraw/zinc/03/82/56/186038256.db2.gz	XBDLEAOXPHXOOV-UHFFFAOYSA-N	0	0	324.514	2.563	30	5		DFBCRN
Cc1cccc(C(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)c1	ZINC000073642276	281190298	/nfs/dbraw/zinc/19/02/98/281190298.db2.gz	MMXBFKPAKQAERQ-UHFFFAOYSA-N	0	0	309.325	2.983	30	5		DFBCRN
CCOc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C\C(N)=O)o1	ZINC000352064359	398637105	/nfs/dbraw/zinc/63/71/05/398637105.db2.gz	VIKSADWNSXPYTC-YVMONPNESA-N	0	0	302.286	2.752	30	5		DFBCRN
NC(=O)c1cc([N+](=O)[O-])cc2nc(-c3cccc(F)c3)oc21	ZINC000073641863	283368063	/nfs/dbraw/zinc/36/80/63/283368063.db2.gz	PSKZWUSPQHQCOP-UHFFFAOYSA-N	0	0	301.233	2.641	30	5		DFBCRN
O=C(c1cccs1)N1CCN=Cc2cc([N+](=O)[O-])ccc21	ZINC000073642337	280217631	/nfs/dbraw/zinc/21/76/31/280217631.db2.gz	SHYJSWHZQPXNEC-UHFFFAOYSA-N	0	0	301.327	2.736	30	5		DFBCRN
C[C@@H](O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1	ZINC000226273974	201771459	/nfs/dbraw/zinc/77/14/59/201771459.db2.gz	UVIUPXFJHJUNSM-LLVKDONJSA-N	0	0	300.314	2.829	30	5		DFBCRN
O=C(C1CCCCC1)N1CCN=Cc2cc([N+](=O)[O-])ccc21	ZINC000073642561	191335545	/nfs/dbraw/zinc/33/55/45/191335545.db2.gz	WHODCUQHRWROPF-UHFFFAOYSA-N	0	0	301.346	2.941	30	5		DFBCRN
CCOc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(N)=O)o1	ZINC000226257782	426618378	/nfs/dbraw/zinc/61/83/78/426618378.db2.gz	VIKSADWNSXPYTC-VMPITWQZSA-N	0	0	302.286	2.752	30	5		DFBCRN
COc1ccc(C(=O)Nc2cccc([C@H](C)O)c2)cc1[N+](=O)[O-]	ZINC000226274666	201771531	/nfs/dbraw/zinc/77/15/31/201771531.db2.gz	ODLHIEDWRIUCKJ-JTQLQIEISA-N	0	0	316.313	2.909	30	5		DFBCRN
COc1ccc(C(=O)Nc2ccc([C@@H](C)O)cc2)cc1[N+](=O)[O-]	ZINC000226273536	201770698	/nfs/dbraw/zinc/77/06/98/201770698.db2.gz	WOJNLQQMNABJHT-SNVBAGLBSA-N	0	0	316.313	2.909	30	5		DFBCRN
COC(=O)C(C)(C)Nc1cc(Br)ccc1[N+](=O)[O-]	ZINC000098210009	426480434	/nfs/dbraw/zinc/48/04/34/426480434.db2.gz	WNPPBFZMLBWOKL-UHFFFAOYSA-N	0	0	317.139	2.721	30	5		DFBCRN
CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])c(F)c2F)CC1	ZINC000095912922	193448879	/nfs/dbraw/zinc/44/88/79/193448879.db2.gz	DFUOSVFYPBYWSA-UHFFFAOYSA-N	0	0	314.288	2.653	30	5		DFBCRN