smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1nc2nc3[nH]cccc3nc2c(=O)[nH]1	ZINC000095936257	384413922	/nfs/dbraw/zinc/41/39/22/384413922.db2.gz	VIEARDLYLGLTPE-UHFFFAOYSA-N	0	2	215.172	-0.445	10	5		BBBELN
NC(=O)[C@@H]1C(OC2CC2)=CC=NC1[N+](=O)[O-]	ZINC000103637329	181266701	/nfs/dbraw/zinc/26/67/01/181266701.db2.gz	NYHUNUQAQANIAD-IONNQARKSA-N	0	2	225.204	-0.162	10	5		BBBELN
NC(=O)[C@@H]1C(OC2CC2)=CC=N[C@@H]1[N+](=O)[O-]	ZINC000103637329	181266699	/nfs/dbraw/zinc/26/66/99/181266699.db2.gz	NYHUNUQAQANIAD-IONNQARKSA-N	0	2	225.204	-0.162	10	5		BBBELN
NC(=O)[C@@H]1C(OC2CC2)=CC=NC1[N+](=O)[O-]	ZINC000103637331	181266161	/nfs/dbraw/zinc/26/61/61/181266161.db2.gz	NYHUNUQAQANIAD-CBAPKCEASA-N	0	2	225.204	-0.162	10	5		BBBELN
NC(=O)[C@@H]1C(OC2CC2)=CC=N[C@H]1[N+](=O)[O-]	ZINC000103637331	181266159	/nfs/dbraw/zinc/26/61/59/181266159.db2.gz	NYHUNUQAQANIAD-CBAPKCEASA-N	0	2	225.204	-0.162	10	5		BBBELN
NC(=O)[C@H]1C(OC2CC2)=CC=NC1[N+](=O)[O-]	ZINC000103637335	181279050	/nfs/dbraw/zinc/27/90/50/181279050.db2.gz	NYHUNUQAQANIAD-VXNVDRBHSA-N	0	2	225.204	-0.162	10	5		BBBELN
NC(=O)[C@H]1C(OC2CC2)=CC=N[C@@H]1[N+](=O)[O-]	ZINC000103637335	181279048	/nfs/dbraw/zinc/27/90/48/181279048.db2.gz	NYHUNUQAQANIAD-VXNVDRBHSA-N	0	2	225.204	-0.162	10	5		BBBELN
NC(=O)[C@H]1C(OC2CC2)=CC=NC1[N+](=O)[O-]	ZINC000103637339	181279730	/nfs/dbraw/zinc/27/97/30/181279730.db2.gz	NYHUNUQAQANIAD-APPZFPTMSA-N	0	2	225.204	-0.162	10	5		BBBELN
NC(=O)[C@H]1C(OC2CC2)=CC=N[C@H]1[N+](=O)[O-]	ZINC000103637339	181279729	/nfs/dbraw/zinc/27/97/29/181279729.db2.gz	NYHUNUQAQANIAD-APPZFPTMSA-N	0	2	225.204	-0.162	10	5		BBBELN