smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1nc2c(nc(C)cc2C)n1Cc1cc(I)c(O)c([N+](=O)[O-])c1	ZINC000026250959	563024428	/nfs/dbraw/zinc/02/44/28/563024428.db2.gz	KMUZFDHGOAAEKG-UHFFFAOYSA-N	0	2	452.252	3.877	1	5		JHBFLN
C[N@@H+]1CCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)[O-])cn3C(C)(C)C)C[C@H]1c1ccccc1	ZINC000040873743	563151759	/nfs/dbraw/zinc/15/17/59/563151759.db2.gz	LUOMPYBVTBJNHU-QFIPXVFZSA-N	0	2	464.522	3.856	1	5		JHBFLN
C[N@H+]1CCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)[O-])cn3C(C)(C)C)C[C@H]1c1ccccc1	ZINC000040873743	563151760	/nfs/dbraw/zinc/15/17/60/563151760.db2.gz	LUOMPYBVTBJNHU-QFIPXVFZSA-N	0	2	464.522	3.856	1	5		JHBFLN
COc1c(N2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(F)c([N+](=O)[O-])c2c(=O)c(C(=O)[O-])cn(C3CC3)c12	ZINC000029123288	563094173	/nfs/dbraw/zinc/09/41/73/563094173.db2.gz	ZVIOKVGCHJVQNZ-QGZVFWFLSA-N	0	2	496.495	3.584	1	5		JHBFLN
COc1c(N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(F)c([N+](=O)[O-])c2c(=O)c(C(=O)[O-])cn(C3CC3)c12	ZINC000029123288	563094174	/nfs/dbraw/zinc/09/41/74/563094174.db2.gz	ZVIOKVGCHJVQNZ-QGZVFWFLSA-N	0	2	496.495	3.584	1	5		JHBFLN
Nc1nc(N)c2c(n1)nc1cc(Cl)ccc1c2Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	ZINC000028366737	563062038	/nfs/dbraw/zinc/06/20/38/563062038.db2.gz	AAZDCXNYBYSZSQ-UHFFFAOYSA-N	0	2	492.952	3.935	1	5		JHBFLN
COc1c(N2CCc3sc([N+](=O)[O-])cc3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c21	ZINC000028821932	563080844	/nfs/dbraw/zinc/08/08/44/563080844.db2.gz	WMVKZDWTFBCLTC-UHFFFAOYSA-N	0	2	459.455	3.715	1	5		JHBFLN
Cc1ccc(N2CCN(c3ccc4c(ncc5c4c(=O)c(C(=O)O)cn5C)c3F)CC2)cc1F	ZINC000028762582	563078391	/nfs/dbraw/zinc/07/83/91/563078391.db2.gz	OSVDJKIMCZAGPP-UHFFFAOYSA-N	0	2	464.472	3.698	1	5		JHBFLN