smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)Cc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000002858785	203969716	/nfs/dbraw/zinc/96/97/16/203969716.db2.gz	HOAZZUZMYJWWAW-UHFFFAOYSA-N	0	3	393.281	4.778	50	5		GJBAHN
CCN(CC)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccsc1	ZINC000058161487	205166338	/nfs/dbraw/zinc/16/63/38/205166338.db2.gz	JDNRMFYXPZSAHY-INIZCTEOSA-N	0	3	396.900	4.514	50	5		GJBAHN
Cc1nc2c(c3nc4ccccc4nc3n2-c2ccc3ccccc3c2)c(=N)o1	ZINC000003854978	204021575	/nfs/dbraw/zinc/02/15/75/204021575.db2.gz	WYQUSEYUNMHIKQ-UHFFFAOYSA-N	0	3	377.407	4.656	50	5		GJBAHN
COc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cn1cccn1	ZINC000170591544	570849484	/nfs/dbraw/zinc/84/94/84/570849484.db2.gz	WPGBHWHZIQRRHD-SJORKVTESA-N	0	3	394.475	4.568	50	5		GJBAHN
O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)C([N+](=O)[O-])[C@H]2C=Cc3ccccc3N21	ZINC000229884396	570574644	/nfs/dbraw/zinc/57/46/44/570574644.db2.gz	QFIBSOSDWWBSFK-LWSSLDFYSA-N	0	3	396.446	4.583	50	5		GJBAHN
COc1ccc([C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cn1cccn1	ZINC000170591542	570849488	/nfs/dbraw/zinc/84/94/88/570849488.db2.gz	WPGBHWHZIQRRHD-IRXDYDNUSA-N	0	3	394.475	4.568	50	5		GJBAHN
COc1ccc([C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cn1cccn1	ZINC000170591543	208748271	/nfs/dbraw/zinc/74/82/71/208748271.db2.gz	WPGBHWHZIQRRHD-IAGOWNOFSA-N	0	3	394.475	4.568	50	5		GJBAHN
CCOc1c(Cl)cc(Cl)cc1CNCCNc1ccc([N+](=O)[O-])cc1	ZINC000006870202	570652902	/nfs/dbraw/zinc/65/29/02/570652902.db2.gz	AGYMQSWFWLHKRB-UHFFFAOYSA-N	0	3	384.263	4.502	50	5		GJBAHN
O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccccc2)cc1	ZINC000005014011	570395069	/nfs/dbraw/zinc/39/50/69/570395069.db2.gz	XUXSEQFVLUALKN-UHFFFAOYSA-N	0	3	384.439	4.737	50	5		GJBAHN
O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)C([N+](=O)[O-])[C@H]2C=Cc3ccccc3N21	ZINC000101870231	208398243	/nfs/dbraw/zinc/39/82/43/208398243.db2.gz	QFIBSOSDWWBSFK-YCAMKHIRSA-N	0	3	396.446	4.583	50	5		GJBAHN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC1CCN(Cc2ccccc2)CC1	ZINC000004347635	570675629	/nfs/dbraw/zinc/67/56/29/570675629.db2.gz	MRYOCASAWVRIGX-UHFFFAOYSA-N	0	3	379.382	4.690	50	5		GJBAHN
c1cnc(N2CCN(Cc3ccc4ccc5cccc6ccc3c4c56)CC2)nc1	ZINC000019632935	207144569	/nfs/dbraw/zinc/14/45/69/207144569.db2.gz	JTPHVCGJUNKECK-UHFFFAOYSA-N	0	3	378.479	4.696	50	5		GJBAHN
O=[N+]([O-])c1cccc(-c2nn(-c3ccccc3)cc2CNCc2ccccc2)c1	ZINC000005013923	570394926	/nfs/dbraw/zinc/39/49/26/570394926.db2.gz	VBDNJSZNSIFUAV-UHFFFAOYSA-N	0	3	384.439	4.737	50	5		GJBAHN
O=[N+]([O-])c1ccc(N2CCN(CC(c3ccccc3)c3ccccc3)CC2)cc1	ZINC000004980854	206579522	/nfs/dbraw/zinc/57/95/22/206579522.db2.gz	BUWYCNKFVRERHI-UHFFFAOYSA-N	0	3	387.483	4.549	50	5		GJBAHN
COc1ccc([C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cn1cccn1	ZINC000170591541	570849444	/nfs/dbraw/zinc/84/94/44/570849444.db2.gz	WPGBHWHZIQRRHD-DLBZAZTESA-N	0	3	394.475	4.568	50	5		GJBAHN
CCCCCN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1	ZINC000006050960	570228619	/nfs/dbraw/zinc/22/86/19/570228619.db2.gz	JUWXXQLGJTWQGP-GOSISDBHSA-N	0	3	375.856	4.708	50	5		GJBAHN
CCCCCN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1	ZINC000006050959	570228782	/nfs/dbraw/zinc/22/87/82/570228782.db2.gz	JUWXXQLGJTWQGP-SFHVURJKSA-N	0	3	375.856	4.708	50	5		GJBAHN