smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1CNCCNc1ccc([N+](=O)[O-])cc1Cl	ZINC000016362701	333199535	/nfs/dbraw/zinc/19/95/35/333199535.db2.gz	GUOLRSXPMKLXGI-UHFFFAOYSA-N	0	3	319.792	3.758	40	5		DHBBHN
O=[N+]([O-])c1ccc2c(c1)[N+](=O)C(c1cccc3ccccc31)=C2[O-]	ZINC000003844826	181048259	/nfs/dbraw/zinc/04/82/59/181048259.db2.gz	GPEZUKVHAWQPFY-UHFFFAOYSA-N	0	3	318.288	3.575	40	5		DHBBHN
Cc1ccc(NCCN(C)C)c2c(=O)c3ccccc3sc12	ZINC000004522686	181119461	/nfs/dbraw/zinc/11/94/61/181119461.db2.gz	SBEJXXYKYPPVSK-UHFFFAOYSA-N	0	3	312.438	3.697	40	5		DHBBHN
c1ccc2cc3c(cc2c1)nccc3NCCCN1CCOCC1	ZINC000002023758	563298634	/nfs/dbraw/zinc/29/86/34/563298634.db2.gz	PUEOFOLGUJMAOV-UHFFFAOYSA-N	0	3	321.424	3.522	40	5		DHBBHN
Cc1ccc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000008550086	333010606	/nfs/dbraw/zinc/01/06/06/333010606.db2.gz	UKQPDLVSJFUBFI-UHFFFAOYSA-N	0	3	319.792	3.758	40	5		DHBBHN
CSc1ccc(CNCCNc2ccc([N+](=O)[O-])cc2)cc1	ZINC000007276708	333003265	/nfs/dbraw/zinc/00/32/65/333003265.db2.gz	WROSWNMILMBMFG-UHFFFAOYSA-N	0	3	317.414	3.518	40	5		DHBBHN
O=[N+]([O-])c1ccccc1CN1CC[C@H](c2nc3ccccc3o2)C1	ZINC000035446536	563867396	/nfs/dbraw/zinc/86/73/96/563867396.db2.gz	ZTRLJWKKWVSSMJ-AWEZNQCLSA-N	0	3	323.352	3.726	40	5	biogenic,in-vitro	DHBBHN
C[C@]12C[C@@H](c3ccccc3)C([N+](=O)[O-])[C@H](O1)c1ccccc1N2	ZINC000003850841	181050194	/nfs/dbraw/zinc/05/01/94/181050194.db2.gz	YIKIVCPEROTXPQ-DZJNRPSUSA-N	0	3	310.353	3.719	40	5		DHBBHN
C[C@]12C[C@H](c3ccccc3)C([N+](=O)[O-])[C@H](O1)c1ccccc1N2	ZINC000005658618	181268767	/nfs/dbraw/zinc/26/87/67/181268767.db2.gz	YIKIVCPEROTXPQ-BZZMCLGOSA-N	0	3	310.353	3.719	40	5		DHBBHN
O=[N+]([O-])c1ccc(NCCNCc2ccccc2F)c(Cl)c1	ZINC000016449668	563877024	/nfs/dbraw/zinc/87/70/24/563877024.db2.gz	WPCUJKLIIWPKIN-UHFFFAOYSA-N	0	3	323.755	3.589	40	5		DHBBHN
CN(C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	ZINC000027987006	563836674	/nfs/dbraw/zinc/83/66/74/563836674.db2.gz	OXNROIWRIKNANM-UHFFFAOYSA-N	0	3	322.368	3.509	40	5		DHBBHN
O=[N+]([O-])c1ccc(NCCNCc2ccc(F)cc2)c(Cl)c1	ZINC000016401586	333204083	/nfs/dbraw/zinc/20/40/83/333204083.db2.gz	ZGJSZCNXPQOOHS-UHFFFAOYSA-N	0	3	323.755	3.589	40	5		DHBBHN
CC(C)(C)OC(=O)N1CCCC([N+](=O)[O-])[C@@H]1c1ccc(F)cc1	ZINC000057774540	563942675	/nfs/dbraw/zinc/94/26/75/563942675.db2.gz	QAPYFCVBMZVWHR-KGLIPLIRSA-N	0	3	324.352	3.543	40	5		DHBBHN
O=[N+]([O-])c1ccc(NCCNCc2cccs2)c(Cl)c1	ZINC000016430617	333204136	/nfs/dbraw/zinc/20/41/36/333204136.db2.gz	AQSXMWPTVMIUDJ-UHFFFAOYSA-N	0	3	311.794	3.511	40	5		DHBBHN