smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1C(=O)[O-]	ZINC000100149492	426481151	/nfs/dbraw/zinc/48/11/51/426481151.db2.gz	BLZHUECAIOIEOD-CYVLTUHYSA-N	-2	0	322.324	2.575	50	30		DFEARL
COc1cc(C=N[N-]c2nc3ccccc3o2)cc(OC)c1[O-]	ZINC000254400863	427220210	/nfs/dbraw/zinc/22/02/10/427220210.db2.gz	QAPALEQOVQGNRY-UHFFFAOYSA-N	-2	0	313.313	2.997	50	30		DFEARL
COc1cccc(/C=N/[O-])c1OCc1ccc(C(=O)[O-])cc1	ZINC000004739719	181145138	/nfs/dbraw/zinc/14/51/38/181145138.db2.gz	ASSDOGWYUZXXPJ-RQZCQDPDSA-N	-2	0	301.298	2.781	50	30		DFEARL
O=[N+]([O-])c1ccc([O-])c(/C=N/c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000020458955	182220219	/nfs/dbraw/zinc/22/02/19/182220219.db2.gz	JPGDTQYFKRXXJL-VGOFMYFVSA-N	-2	0	303.230	2.665	50	30		DFEARL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1C(=O)[O-]	ZINC000100005532	426480330	/nfs/dbraw/zinc/48/03/30/426480330.db2.gz	BLZHUECAIOIEOD-XDJHFCHBSA-N	-2	0	322.324	2.575	50	30		DFEARL
O=C([O-])[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1	ZINC000003125078	425610369	/nfs/dbraw/zinc/61/03/69/425610369.db2.gz	AVJQKGCBGLHFRI-FSEGOYHTSA-N	-2	0	300.270	2.545	50	30		DFEARL
O=C([O-])c1ccc([O-])c(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1	ZINC000008048264	425659857	/nfs/dbraw/zinc/65/98/57/425659857.db2.gz	HGIDWNJAAWSESJ-XVNBXDOJSA-N	-2	0	313.265	2.895	50	30		DFEARL
[O-]/N=C(/c1nonc1/C(=N/[O-])c1ccccc1)c1ccccc1	ZINC000004535791	181120692	/nfs/dbraw/zinc/12/06/92/181120692.db2.gz	KRWKSVJLWIAYIS-HBKJEHTGSA-N	-2	0	308.297	2.523	50	30		DFEARL
O=C([O-])c1ccc(C/N=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000004690767	181137041	/nfs/dbraw/zinc/13/70/41/181137041.db2.gz	RDZIONMOXNVTBX-CXUHLZMHSA-N	-2	0	300.270	2.618	50	30		DFEARL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000012412986	425724863	/nfs/dbraw/zinc/72/48/63/425724863.db2.gz	GLCXXXSRMOJDKZ-CYVLTUHYSA-N	-2	0	322.324	2.575	50	30		DFEARL
C#Cc1cccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1	ZINC000037238923	425847786	/nfs/dbraw/zinc/84/77/86/425847786.db2.gz	WGUBAGIJLRBDGS-UHFFFAOYSA-N	-2	0	321.379	2.537	50	30		DFEARL
O=[N+]([O-])c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c([O-])c1	ZINC000005568338	181258461	/nfs/dbraw/zinc/25/84/61/181258461.db2.gz	BUIYECCAUPUSOV-VGOFMYFVSA-N	-2	0	303.230	2.665	50	30		DFEARL
O=C([O-])[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1	ZINC000104200976	257273050	/nfs/dbraw/zinc/27/30/50/257273050.db2.gz	AVJQKGCBGLHFRI-SLVCOGOPSA-N	-2	0	300.270	2.545	50	30		DFEARL
O=C([O-])C(CCCC(F)(F)C(F)(F)C(F)(F)F)C(=O)[O-]	ZINC000002386469	425593303	/nfs/dbraw/zinc/59/33/03/425593303.db2.gz	CGCPPBXAEGMASM-UHFFFAOYSA-N	-2	0	314.153	2.775	50	30		DFEARL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000100005550	426480160	/nfs/dbraw/zinc/48/01/60/426480160.db2.gz	GLCXXXSRMOJDKZ-XDJHFCHBSA-N	-2	0	322.324	2.575	50	30		DFEARL
Cc1oc(/N=C/c2cc([N+](=O)[O-])c([O-])cc2[O-])c(C#N)c1C	ZINC000005792535	302867697	/nfs/dbraw/zinc/86/76/97/302867697.db2.gz	SVUVMESFPUMFTM-OMCISZLKSA-N	-2	0	301.258	2.838	50	30		DFEARL
O=[N+]([O-])c1ccc(/C=N/c2ccc([N+](=O)[O-])cc2[O-])c([O-])c1	ZINC000100456781	426482076	/nfs/dbraw/zinc/48/20/76/426482076.db2.gz	IFMFRKOABPCSRY-VGOFMYFVSA-N	-2	0	303.230	2.665	50	30		DFEARL
CCCCCCCCCCCC(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000028540190	425822093	/nfs/dbraw/zinc/82/20/93/425822093.db2.gz	VCRXMSMANOGRCM-CYBMUJFWSA-N	-2	0	315.410	2.951	50	30		DFEARL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc(C(=O)[O-])c1	ZINC000100005548	426480553	/nfs/dbraw/zinc/48/05/53/426480553.db2.gz	CAPPTUWDNDBPSY-XDJHFCHBSA-N	-2	0	322.324	2.575	50	30		DFEARL
CCCCCCCOc1ccc(S(=O)(=O)[O-])cc1C(=O)[O-]	ZINC000102069769	256571222	/nfs/dbraw/zinc/57/12/22/256571222.db2.gz	OPSUOSKJINYJDB-UHFFFAOYSA-N	-2	0	316.375	2.981	50	30		DFEARL
O=C([O-])[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1	ZINC000104200971	257272947	/nfs/dbraw/zinc/27/29/47/257272947.db2.gz	AVJQKGCBGLHFRI-CIKBWMHTSA-N	-2	0	300.270	2.545	50	30		DFEARL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc(C(=O)[O-])c1	ZINC000100149824	426481201	/nfs/dbraw/zinc/48/12/01/426481201.db2.gz	CAPPTUWDNDBPSY-CYVLTUHYSA-N	-2	0	322.324	2.575	50	30		DFEARL
O=C([O-])[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1	ZINC000003125080	180983654	/nfs/dbraw/zinc/98/36/54/180983654.db2.gz	AVJQKGCBGLHFRI-BRYYZUPOSA-N	-2	0	300.270	2.545	50	30		DFEARL
Cc1cc([N+](=O)[O-])cc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1[O-]	ZINC000102417427	425921426	/nfs/dbraw/zinc/92/14/26/425921426.db2.gz	HHJZIOXTBGIFTQ-VIZOYTHASA-N	-2	0	317.257	2.973	50	30		DFEARL
CCCCCCCCCCCC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000028539157	425822141	/nfs/dbraw/zinc/82/21/41/425822141.db2.gz	VCRXMSMANOGRCM-ZDUSSCGKSA-N	-2	0	315.410	2.951	50	30		DFEARL
O=C([O-])c1ccccc1C=Nn1c(=S)[n-]nc1-c1ccco1	ZINC000001301805	425576124	/nfs/dbraw/zinc/57/61/24/425576124.db2.gz	UFKFGVMOCORGKS-OVCLIPMQSA-N	-2	0	314.326	2.781	50	30		DFEARL