smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c(=O)c3c(O)c(OC)c(O)cc3oc2cc1[O-]	ZINC000003782686	560189444	/nfs/dbraw/zinc/18/94/44/560189444.db2.gz	MEDZADGBRDMLGM-UHFFFAOYSA-N	-1	1	304.254	2.080	1	5	biogenic,in-vitro	DEBFMM
CCCCCC[C@H]([C@H](C)O)[N@@+]1([O-])C(=O)[N-]c2c1ncnc2N	ZINC000253752302	717168247	/nfs/dbraw/zinc/16/82/47/717168247.db2.gz	KQLKDNMOHIBDED-DQPNGWRMSA-N	-1	1	309.370	2.129	1	5		DEBFMM
CCCCCC[C@@H]([C@H](C)O)[N+]1([O-])C(=O)[N-]c2c1ncnc2N	ZINC000169714033	717157022	/nfs/dbraw/zinc/15/70/22/717157022.db2.gz	KQLKDNMOHIBDED-MOUQWJFJSA-N	-1	1	309.370	2.143	1	5		DEBFMM
CCCCCC[C@H]([C@H](C)O)[N@+]1([O-])C(=O)[N-]c2c1ncnc2N	ZINC000253752309	717168383	/nfs/dbraw/zinc/16/83/83/717168383.db2.gz	KQLKDNMOHIBDED-QHJCOXKOSA-N	-1	1	309.370	2.129	1	5		DEBFMM
O=C1[N-]C(=O)C(=Cc2coc3ccc([N+](=O)[O-])cc3c2=O)S1	ZINC000040846524	183140808	/nfs/dbraw/zinc/14/08/08/183140808.db2.gz	XPIVKSRUOHPCIX-XCVCLJGOSA-N	-1	1	318.266	2.025	1	5		DEBFMM
CCCCCC[C@H]([C@H](C)O)[N+]1([O-])C(=O)[N-]c2c1ncnc2N	ZINC000027216249	581093452	/nfs/dbraw/zinc/09/34/52/581093452.db2.gz	KQLKDNMOHIBDED-LIHPQCKMSA-N	-1	1	309.370	2.129	1	5		DEBFMM
CCCCCC[C@@H]([C@@H](C)O)[N+]1([O-])C(=O)[N-]c2c1ncnc2N	ZINC000169714031	717157139	/nfs/dbraw/zinc/15/71/39/717157139.db2.gz	KQLKDNMOHIBDED-VWTUNWRZSA-N	-1	1	309.370	2.143	1	5		DEBFMM
COc1ccc2nc3c4c[nH][nH]c4c4c(c3c2c1)C(=O)[N-]C4=O	ZINC000084669718	192453206	/nfs/dbraw/zinc/45/32/06/192453206.db2.gz	CKGKPUXJRNHXBS-UHFFFAOYSA-N	-1	1	306.281	2.090	1	5		DEBFMM
CCCCCC[C@H]([C@@H](C)O)[N+]1([O-])C(=O)[N-]c2c1ncnc2N	ZINC000169714032	717157213	/nfs/dbraw/zinc/15/72/13/717157213.db2.gz	KQLKDNMOHIBDED-XWVIHRIXSA-N	-1	1	309.370	2.143	1	5		DEBFMM