smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])C[C@@H](NC(=O)CNC(=O)CCCNc1ccccn1)c1cccc([N+](=O)[O-])c1	ZINC000013472623	562988026	/nfs/dbraw/zinc/98/80/26/562988026.db2.gz	LXRNNOYGXXYOIM-MRXNPFEDSA-N	-1	0	429.433	1.630	1	5		IDBFRM
O=C([O-])c1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000028953262	563069903	/nfs/dbraw/zinc/06/99/03/563069903.db2.gz	DYBPFBXLALHECC-UHFFFAOYSA-N	-1	0	435.414	1.566	1	5		IDBFRM
Cn1cc([N+](=O)[O-])c(-n2cc(C(=O)[O-])c(=O)c3cc(F)c(N4CCN(C)CC4)cc32)c1	ZINC000027097636	563039578	/nfs/dbraw/zinc/03/95/78/563039578.db2.gz	BDSGNJWAPPQMPB-UHFFFAOYSA-N	-1	0	429.408	1.827	1	5		IDBFRM
O=C([O-])C[C@H](NC(=O)CNC(=O)CCCNc1ccccn1)c1cccc([N+](=O)[O-])c1	ZINC000013472624	562988077	/nfs/dbraw/zinc/98/80/77/562988077.db2.gz	LXRNNOYGXXYOIM-INIZCTEOSA-N	-1	0	429.433	1.630	1	5		IDBFRM
O=C([O-])CCNc1nc(CC2N=NC(=S)N2NC(=O)c2cccc([N+](=O)[O-])c2)cs1	ZINC000028815446	563064469	/nfs/dbraw/zinc/06/44/69/563064469.db2.gz	JQLWLYDYLFJXJO-UHFFFAOYSA-N	-1	0	449.474	1.793	1	5		IDBFRM
CCn1c(=O)n(Cc2ccc([N+](=O)[O-])cc2)c(=O)n([C@@H](Cc2ccccc2)C(=O)[O-])c1=O	ZINC000064596910	563156498	/nfs/dbraw/zinc/15/64/98/563156498.db2.gz	CCLINJGMVNJMNW-KRWDZBQOSA-N	-1	0	440.412	1.017	1	5		IDBFRM
Cc1ccc(C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cccc(Cl)c2)C(N)=O)c([N+](=O)[O-])c1[O-]	ZINC000049053160	563137060	/nfs/dbraw/zinc/13/70/60/563137060.db2.gz	VRYIXVCGSCBMRB-NHYWBVRUSA-N	-1	0	448.863	1.593	1	5		IDBFRM
Cn1cc([N+](=O)[O-])cc1-n1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C)CC3)cc21	ZINC000027097961	563039565	/nfs/dbraw/zinc/03/95/65/563039565.db2.gz	QTXXPKPVGQLMPS-UHFFFAOYSA-N	-1	0	429.408	1.827	1	5		IDBFRM
O=C([O-])C1CCN(Cc2cc3[nH]c(=O)c(=O)[nH]c3c([N+](=O)[O-])c2Br)CC1	ZINC000027759097	563046897	/nfs/dbraw/zinc/04/68/97/563046897.db2.gz	AQDIJGGSEGJNHH-UHFFFAOYSA-N	-1	0	427.211	1.596	1	5		IDBFRM
O=c1[n-]/c(=C/c2ccc(OCc3ccccc3)cn2)c(=O)[nH]/c1=C/c1ccc([N+](=O)[O-])cc1	ZINC000005596844	562944359	/nfs/dbraw/zinc/94/43/59/562944359.db2.gz	RSACHGINDYIKER-ADYPVIEZSA-N	-1	0	442.431	1.603	1	5		IDBFRM
CC(C)S(=O)(=O)n1c(N)nc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc21	ZINC000028963420	563070910	/nfs/dbraw/zinc/07/09/10/563070910.db2.gz	CVZHHHMZMUOKBK-UHFFFAOYSA-N	-1	0	439.475	1.914	1	5		IDBFRM
COC(=O)C1=C(C)N2[C@H](C(=O)[O-])CO[C@@]2(C)[C@H](C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000031872584	563083709	/nfs/dbraw/zinc/08/37/09/563083709.db2.gz	XAYUVMLLMIQBLD-PEMDQYIBSA-N	-1	0	434.401	1.430	1	5		IDBFRM
COc1ccc(CCNc2c([N+](=O)[O-])cc(C(=O)[O-])cc2S(N)(=O)=O)cc1OC	ZINC000028818155	563064970	/nfs/dbraw/zinc/06/49/70/563064970.db2.gz	MVDGTXRZTZNCEM-UHFFFAOYSA-N	-1	0	425.419	1.612	1	5		IDBFRM
COc1cc(CCNc2c([N+](=O)[O-])cc(C(=O)[O-])cc2S(N)(=O)=O)cc(OC)c1	ZINC000073220638	563170555	/nfs/dbraw/zinc/17/05/55/563170555.db2.gz	PXXITMDWKHAAQS-UHFFFAOYSA-N	-1	0	425.419	1.612	1	5		IDBFRM