smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CCc1c2ccccc2cc2ccccc21	ZINC000000404529	169632084	/nfs/dbraw/zinc/63/20/84/169632084.db2.gz	BDGMYCZUEIGHJH-UHFFFAOYSA-N	-1	0	250.297	4.010	50	5	in-vitro	CIBARM
O=C([O-])Cc1ccc2ccc3cccc4ccc1c2c34	ZINC000000395527	567828700	/nfs/dbraw/zinc/82/87/00/567828700.db2.gz	SDJCLYBBPUHKCD-UHFFFAOYSA-N	-1	0	260.292	4.211	50	5		CIBARM
O=c1cc(-c2ccc(O)cc2)oc2ccc3ccccc3c12	ZINC000000039305	567901645	/nfs/dbraw/zinc/90/16/45/567901645.db2.gz	AUDZFDILQOXUBT-UHFFFAOYSA-N	-1	0	288.302	4.319	50	5		CIBARM
O=[N+]([O-])c1ccccc1[N-]c1nc2ccc(Cl)cc2o1	ZINC000012546067	570327816	/nfs/dbraw/zinc/32/78/16/570327816.db2.gz	SURIRTNHMHFTOX-UHFFFAOYSA-N	-1	0	289.678	4.133	50	5		CIBARM
CCCCn1c(=O)c2cc3ccccc3cc2[n-]c1=S	ZINC000002974090	567154644	/nfs/dbraw/zinc/15/46/44/567154644.db2.gz	CZKLUWSJQKTBDG-UHFFFAOYSA-N	-1	0	284.384	4.012	50	5		CIBARM
O=c1cc(-c2ccc(O)cc2)oc2c1ccc1ccccc12	ZINC000000039304	567901744	/nfs/dbraw/zinc/90/17/44/567901744.db2.gz	LLWMARJKCJATFA-UHFFFAOYSA-N	-1	0	288.302	4.319	50	5		CIBARM
O=[N+]([O-])c1cc(/C=C\c2ccc3ccccc3n2)ccc1[O-]	ZINC000096766148	185112463	/nfs/dbraw/zinc/11/24/63/185112463.db2.gz	ZLIZPPLWZIPTMS-YVMONPNESA-N	-1	0	292.294	4.019	50	5		CIBARM
O=C([O-])CCCC(=O)c1cc2ccccc2c2ccccc12	ZINC000002378704	169788194	/nfs/dbraw/zinc/78/81/94/169788194.db2.gz	WGZXXRCUASGYGP-UHFFFAOYSA-N	-1	0	292.334	4.431	50	5		CIBARM
O=C([O-])CCC(=O)c1ccc2c(ccc3ccccc32)c1	ZINC000000393051	567054267	/nfs/dbraw/zinc/05/42/67/567054267.db2.gz	VKOKDKOPDJUMAW-UHFFFAOYSA-N	-1	0	278.307	4.041	50	5		CIBARM
O=C(c1cnc2ccc3ccccc3c2c1)c1ccccc1[O-]	ZINC000003338838	567169854	/nfs/dbraw/zinc/16/98/54/567169854.db2.gz	OJIWOFWZUNAKIM-UHFFFAOYSA-N	-1	0	299.329	4.325	50	5		CIBARM
O=[N+]([O-])c1cc(/C=C/c2nc3ccccc3s2)ccc1[O-]	ZINC000034889270	570326189	/nfs/dbraw/zinc/32/61/89/570326189.db2.gz	GCFWGJPCAFDLMA-SOFGYWHQSA-N	-1	0	298.323	4.081	50	5		CIBARM
O=[N+]([O-])c1ccc(Sc2ccc(Cl)cc2)cc1[O-]	ZINC000035571895	172268209	/nfs/dbraw/zinc/26/82/09/172268209.db2.gz	NXAGXBPBECCSSW-UHFFFAOYSA-N	-1	0	281.720	4.105	50	5		CIBARM
CCc1c2ccccc2c2ccccc2c1C(=O)[O-]	ZINC000003157116	567939004	/nfs/dbraw/zinc/93/90/04/567939004.db2.gz	IUBUDWLOZVFLPS-UHFFFAOYSA-N	-1	0	250.297	4.254	50	5		CIBARM
Cc1oc2cc3o/c(=N/[O-])c4ccccc4c3cc2c1C	ZINC000008765160	170354853	/nfs/dbraw/zinc/35/48/53/170354853.db2.gz	JVOCOKMOLIASHK-ISLYRVAYSA-N	-1	0	279.295	4.239	50	5		CIBARM
CC(C)(C)c1ccc(-c2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000004113916	566859933	/nfs/dbraw/zinc/85/99/33/566859933.db2.gz	FHQKHQJIGSENQX-UHFFFAOYSA-N	-1	0	299.326	4.258	50	5		CIBARM
O=C([O-])CCC(=O)c1c2ccccc2cc2ccccc21	ZINC000000392937	567054795	/nfs/dbraw/zinc/05/47/95/567054795.db2.gz	MMYCAOLDTXBHEF-UHFFFAOYSA-N	-1	0	278.307	4.041	50	5		CIBARM
O=C([O-])CCC(=O)c1cc2ccccc2c2ccccc12	ZINC000002378703	567845396	/nfs/dbraw/zinc/84/53/96/567845396.db2.gz	BWHXNHOFULMJFJ-UHFFFAOYSA-N	-1	0	278.307	4.041	50	5		CIBARM
O=[N+]([O-])c1ccccc1[N-]c1nc(-c2ccccc2)cs1	ZINC000005064013	170063029	/nfs/dbraw/zinc/06/30/29/170063029.db2.gz	YJACSSHYOYINSL-UHFFFAOYSA-N	-1	0	297.339	4.462	50	5		CIBARM
O=c1ccc2c(-c3ccccc3)c3ccc([O-])cc3oc-2c1	ZINC000004344383	567047063	/nfs/dbraw/zinc/04/70/63/567047063.db2.gz	IRUMWXSHFZXEDQ-UHFFFAOYSA-N	-1	0	288.302	4.270	50	5		CIBARM
O=C([O-])CSc1c2ccccc2cc2ccccc21	ZINC000000276117	567823668	/nfs/dbraw/zinc/82/36/68/567823668.db2.gz	HJDCPALGGGFNOO-UHFFFAOYSA-N	-1	0	268.337	4.170	50	5		CIBARM
CC(=O)c1cc([N+](=O)[O-])c(Nc2ccc(Cl)cc2)s1	ZINC000004363230	567863879	/nfs/dbraw/zinc/86/38/79/567863879.db2.gz	FNSOPJVKDHURKK-UHFFFAOYSA-N	-1	0	296.735	4.256	50	5		CIBARM
O=C([O-])c1cc(-c2cccc3ccccc32)cc([N+](=O)[O-])c1	ZINC000077031947	177155997	/nfs/dbraw/zinc/15/59/97/177155997.db2.gz	FRPXBPYOTQZIDD-UHFFFAOYSA-N	-1	0	293.278	4.113	50	5		CIBARM
CC(=O)C=C([O-])c1c2ccccc2cc2ccccc21	ZINC000100075257	567912054	/nfs/dbraw/zinc/91/20/54/567912054.db2.gz	HEGRMYBTNIGYIV-UHFFFAOYSA-N	-1	0	262.308	4.155	50	5		CIBARM
O=C([O-])CCC(=O)c1ccc2cc3ccccc3cc2c1	ZINC000000392976	567054900	/nfs/dbraw/zinc/05/49/00/567054900.db2.gz	LZMNAKMECLHEQH-UHFFFAOYSA-N	-1	0	278.307	4.041	50	5		CIBARM