smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(N=Cc1ccc(-c2nn[n-]n2)o1)C(N)=O	ZINC000826004273	608475239	/nfs/dbraw/zinc/47/52/39/608475239.db2.gz	QJLIQBWTZWQWQJ-UHFFFAOYSA-N	-1	1	235.207	-0.196	20	50		BBGDMM
CN(N=Cc1ccc(-c2nnn[n-]2)o1)C(N)=O	ZINC000826004273	608475238	/nfs/dbraw/zinc/47/52/38/608475238.db2.gz	QJLIQBWTZWQWQJ-UHFFFAOYSA-N	-1	1	235.207	-0.196	20	50		BBGDMM
CN(C)C1(C(=O)NNC(=O)[O-])CCC1	ZINC000828001534	604278149	/nfs/dbraw/zinc/27/81/49/604278149.db2.gz	SBWXUUWJOGGBPX-UHFFFAOYSA-N	-1	1	201.226	-0.231	20	50		BBGDMM
Cc1n[nH]c(SCC(=O)NNC(=O)[O-])n1	ZINC000830679457	603631153	/nfs/dbraw/zinc/63/11/53/603631153.db2.gz	WLQCGYFDSKYJHC-UHFFFAOYSA-N	-1	1	231.237	-0.496	20	50		BBGDMM
Cc1nnc(SCC(=O)NNC(=O)[O-])[nH]1	ZINC000830679457	603631148	/nfs/dbraw/zinc/63/11/48/603631148.db2.gz	WLQCGYFDSKYJHC-UHFFFAOYSA-N	-1	1	231.237	-0.496	20	50		BBGDMM
Cc1nnc(SCCC(=O)NNC(=O)[O-])[nH]1	ZINC000830893540	603628564	/nfs/dbraw/zinc/62/85/64/603628564.db2.gz	NBBXBXPSLZXSKC-UHFFFAOYSA-N	-1	1	245.264	-0.106	20	50		BBGDMM
Cc1ccoc1C(=O)NNC(=O)CNC(=O)[O-]	ZINC000833911636	605464824	/nfs/dbraw/zinc/46/48/24/605464824.db2.gz	WDYPSPDCWGRWFV-UHFFFAOYSA-N	-1	1	241.203	-0.383	20	50		BBGDMM
Cc1nc[nH]c1C=NNC(=O)CNC(=O)[O-]	ZINC000833914951	605385439	/nfs/dbraw/zinc/38/54/39/605385439.db2.gz	HGWIOJRRSRIDLG-UHFFFAOYSA-N	-1	1	225.208	-0.564	20	50		BBGDMM
Cc1nc[nH]c1C=NNC(=O)CCNC(=O)[O-]	ZINC000833916191	605748624	/nfs/dbraw/zinc/74/86/24/605748624.db2.gz	VUWAJJUCFVKGNX-UHFFFAOYSA-N	-1	1	239.235	-0.174	20	50		BBGDMM
O=C([O-])NCC(=O)NN=C1CCN2CCC[C@H]12	ZINC000834199844	605383837	/nfs/dbraw/zinc/38/38/37/605383837.db2.gz	PRLBCLNEOODYFO-MRVPVSSYSA-N	-1	1	240.263	-0.406	20	50		BBGDMM
O=C([O-])NCC(=O)NN=C1CCN2CCC[C@@H]12	ZINC000834199845	605383786	/nfs/dbraw/zinc/38/37/86/605383786.db2.gz	PRLBCLNEOODYFO-QMMMGPOBSA-N	-1	1	240.263	-0.406	20	50		BBGDMM
O=C([O-])NNC(=O)C(F)(F)C1(O)CCC1	ZINC000834251008	605810929	/nfs/dbraw/zinc/81/09/29/605810929.db2.gz	QKOBXGBDEALMNL-UHFFFAOYSA-N	-1	1	224.163	-0.165	20	50		BBGDMM