smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C([O-])=CC(=O)c2cc3ccoc3cc2[O-])cc1OC	ZINC000101418969	204006322	/nfs/dbraw/zinc/00/63/22/204006322.db2.gz	NYFYCUOXUVYYGK-ZROIWOOFSA-N	-2	0	340.331	3.937	1	30		EHEFRL
C=C(C)CCCc1c(=O)cc([O-])c2c(O)c3ccc([O-])c(O)c3oc1-2	ZINC000059587688	560082775	/nfs/dbraw/zinc/08/27/75/560082775.db2.gz	IBKFXCFBLZDABS-UHFFFAOYSA-N	-2	0	342.347	3.667	1	30	biogenic,in-vitro	EHEFRL
N#[N+][N-][C@H]1CC[C@@H](N=[N+]=[N-])c2ccc(C([O-])=CC(=O)C(=O)[O-])cc21	ZINC000100990360	204000179	/nfs/dbraw/zinc/00/01/79/204000179.db2.gz	CRQXKCSCNKMHHH-HPTVMLIKSA-N	-2	0	328.288	3.736	1	30		EHEFRL
N#[N+][N-][C@H]1CC[C@H](N=[N+]=[N-])c2cc(C([O-])=CC(=O)C(=O)[O-])ccc21	ZINC000100990353	204000418	/nfs/dbraw/zinc/00/04/18/204000418.db2.gz	CRQXKCSCNKMHHH-NYDONADRSA-N	-2	0	328.288	3.736	1	30		EHEFRL
N#[N+][N-][C@@H]1CC[C@@H](N=[N+]=[N-])c2cc(C([O-])=CC(=O)C(=O)[O-])ccc21	ZINC000100990356	219112932	/nfs/dbraw/zinc/11/29/32/219112932.db2.gz	CRQXKCSCNKMHHH-ZOINEBSPSA-N	-2	0	328.288	3.736	1	30		EHEFRL
COc1ccc(/C=C/C(=O)c2cc(Cl)c([O-])cc2[O-])c(OC)c1	ZINC000103233007	219273622	/nfs/dbraw/zinc/27/36/22/219273622.db2.gz	DMQWKMIYLFYRSB-GQCTYLIASA-N	-2	0	334.755	3.665	1	30		EHEFRL
CC1=C([O-])C(CC2=C([O-])C(C)(C)C([O-])=C(C)C2=O)C(=O)C(C)(C)C1=O	ZINC000100003050	560053910	/nfs/dbraw/zinc/05/39/10/560053910.db2.gz	QGDUKLFBMFNGDC-UHFFFAOYSA-N	-3	0	348.395	3.883	1	30	biogenic,in-vitro	EHEFRL
CC=C1C(=O)c2c(O)c3c(cc2C(=O)C1C)C(C)(C)C([O-])=C(C)C3=O	ZINC000101164599	219118210	/nfs/dbraw/zinc/11/82/10/219118210.db2.gz	CXDZOCPWVKOLAD-UHFFFAOYSA-N	-2	0	340.375	3.804	1	30	in-vivo	EHEFRL
N#[N+][N-][C@H]1CC[C@@H](N=[N+]=[N-])c2cc(C([O-])=CC(=O)C(=O)[O-])ccc21	ZINC000100990350	219112942	/nfs/dbraw/zinc/11/29/42/219112942.db2.gz	CRQXKCSCNKMHHH-GNAUDSRASA-N	-2	0	328.288	3.736	1	30		EHEFRL