smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([N-]c2ncnc([N-]c3ccccn3)c2[N+](=O)[O-])no1	ZINC000040582188	183105019	/nfs/dbraw/zinc/10/50/19/183105019.db2.gz	UVFVETYRCPJNJR-UHFFFAOYSA-N	-2	1	313.277	2.563	10	5		DFBEML
O=[N+]([O-])c1c([N-]c2nccs2)ncnc1[N-]c1ccccn1	ZINC000040646798	183113647	/nfs/dbraw/zinc/11/36/47/183113647.db2.gz	WERZAIDQVARNQS-UHFFFAOYSA-N	-2	1	315.318	2.724	10	5		DFBEML
Cc1cccnc1[N-]c1ncnc([N-]c2ccccn2)c1[N+](=O)[O-]	ZINC000040625753	183111048	/nfs/dbraw/zinc/11/10/48/183111048.db2.gz	RTCYIVIJXLXXGE-UHFFFAOYSA-N	-2	1	323.316	2.970	10	5		DFBEML
O=c1cccc2oc3cc4c(c([O-])c3c([O-])c1-2)[C@H]1C=CO[C@H]1O4	ZINC000014715640	560224866	/nfs/dbraw/zinc/22/48/66/560224866.db2.gz	CWYJYLXZMAUSNI-GJEGPGMTSA-N	-2	1	310.261	2.703	10	5	in-vitro	DFBEML
O=c1c2c(cc3oc4cccc([O-])c4c([O-])c1-3)O[C@@H]1OC=C[C@H]21	ZINC000014715640	560224867	/nfs/dbraw/zinc/22/48/67/560224867.db2.gz	CWYJYLXZMAUSNI-GJEGPGMTSA-N	-2	1	310.261	2.703	10	5	in-vitro	DFBEML
O=c1cccc2oc3cc4c(c([O-])c3c([O-])c1-2)[C@H]1C=CO[C@@H]1O4	ZINC000014715642	560224895	/nfs/dbraw/zinc/22/48/95/560224895.db2.gz	CWYJYLXZMAUSNI-IWEMQMMOSA-N	-2	1	310.261	2.703	10	5	in-vitro	DFBEML
O=c1c2c(cc3oc4cccc([O-])c4c([O-])c1-3)O[C@H]1OC=C[C@H]21	ZINC000014715642	560224897	/nfs/dbraw/zinc/22/48/97/560224897.db2.gz	CWYJYLXZMAUSNI-IWEMQMMOSA-N	-2	1	310.261	2.703	10	5	in-vitro	DFBEML