smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(=O)c2c([O-])c3cc(OC)c(OC)cc3oc-2c1	ZINC000006483508	560205911	/nfs/dbraw/zinc/20/59/11/560205911.db2.gz	YBXGACGRJWDKHC-UHFFFAOYSA-N	-1	3	302.282	2.678	3	5	biogenic,in-vitro	DFBFHM
COc1cc([O-])c2c(c1)oc1cc(OC)c(OC)cc1c2=O	ZINC000006483508	560205914	/nfs/dbraw/zinc/20/59/14/560205914.db2.gz	YBXGACGRJWDKHC-UHFFFAOYSA-N	-1	3	302.282	2.678	3	5	biogenic,in-vitro	DFBFHM
CN1c2ccccc2[C@H]2c3c(O)ccc([O-])c3C=C([N+](=O)[O-])[C@@H]21	ZINC000005582847	181260660	/nfs/dbraw/zinc/26/06/60/181260660.db2.gz	FBORASWGOQAZHS-IRXDYDNUSA-N	-1	3	310.309	2.679	1	5		DFBFHM
COc1ccc2oc3c(ccc([O-])c3OC)c(=O)c2c1OC	ZINC000014764196	560225757	/nfs/dbraw/zinc/22/57/57/560225757.db2.gz	BKSUQMQAIGVECD-UHFFFAOYSA-N	-1	3	302.282	2.678	1	5	biogenic,in-vitro	DFBFHM
Cn1cc(-c2cnc3ccc4ccc([O-])cc4c(=O)c3c2)cn1	ZINC000072109130	191037749	/nfs/dbraw/zinc/03/77/49/191037749.db2.gz	TUWYKTGWOOZYIM-UHFFFAOYSA-N	-1	3	303.321	2.854	1	5		DFBFHM
COc1cc2n(C)c3cc(Cl)c(N)cc3c([O-])c-2c(=O)c1	ZINC000021994814	182302164	/nfs/dbraw/zinc/30/21/64/182302164.db2.gz	XCGTYNGNMRQWST-UHFFFAOYSA-N	-1	3	304.733	2.642	2	5		DFBFHM
COc1cc([O-])c2c(c1)n(C)c1cc(Cl)c(N)cc1c2=O	ZINC000021994814	182302167	/nfs/dbraw/zinc/30/21/67/182302167.db2.gz	XCGTYNGNMRQWST-UHFFFAOYSA-N	-1	3	304.733	2.642	2	5		DFBFHM
O=[N+]([O-])c1cc2[n-]c(Cl)nc2cc1I	ZINC000005973916	181302834	/nfs/dbraw/zinc/30/28/34/181302834.db2.gz	DQODIHNTPWKHCB-UHFFFAOYSA-N	-1	3	323.477	2.729	1	5		DFBFHM
O=[N+]([O-])c1cc2nc(Cl)[n-]c2cc1I	ZINC000005973916	181302836	/nfs/dbraw/zinc/30/28/36/181302836.db2.gz	DQODIHNTPWKHCB-UHFFFAOYSA-N	-1	3	323.477	2.729	1	5		DFBFHM
CC(C)c1onc(C(=O)[N-]c2ccc3c(c2)OCO3)c1[N+](=O)[O-]	ZINC000004937515	181175836	/nfs/dbraw/zinc/17/58/36/181175836.db2.gz	MMAQPHDTQGYKMZ-UHFFFAOYSA-N	-1	3	319.273	2.687	3	5		DFBFHM