smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@H](O)[C@H]3C[C@@H]12	ZINC000004215546	562942780	/nfs/dbraw/zinc/94/27/80/562942780.db2.gz	JCSGAUKCDAVARS-SOUFLCLCSA-N	-2	3	430.413	-0.389	10	30	in-man	IBEEHL
CN(C)[C@@H]1C(=O)C(C(N)=O)=C([O-])[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@H](O)[C@H]3C[C@@H]12	ZINC000004215546	562942779	/nfs/dbraw/zinc/94/27/79/562942779.db2.gz	JCSGAUKCDAVARS-SOUFLCLCSA-N	-2	3	430.413	-0.389	10	30	in-man	IBEEHL
C[C@@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C([O-])=C(C(N)=O)C(=O)[C@H](N(C)C)[C@H]3[C@H](O)[C@H]21	ZINC000011592655	556342442	/nfs/dbraw/zinc/34/24/42/556342442.db2.gz	JBIWCJUYHHGXTC-ACFMPZSDSA-N	-2	3	444.440	-0.348	10	30		IBEEHL
C[C@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C([O-])=C(C(N)=O)C(=O)[C@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21	ZINC000013783291	563006919	/nfs/dbraw/zinc/00/69/19/563006919.db2.gz	JBIWCJUYHHGXTC-NLJUDYQYSA-N	-2	3	444.440	-0.348	10	30		IBEEHL
CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@@H]3C[C@@H]12	ZINC000014879978	563015082	/nfs/dbraw/zinc/01/50/82/563015082.db2.gz	OFVLGDICTFRJMM-XPDFQGOQSA-N	-2	3	444.440	-0.214	10	30		IBEEHL
CN(C)[C@@H]1C(=O)C(C(N)=O)=C([O-])[C@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@@H]3C[C@@H]12	ZINC000014879978	563015081	/nfs/dbraw/zinc/01/50/81/563015081.db2.gz	OFVLGDICTFRJMM-XPDFQGOQSA-N	-2	3	444.440	-0.214	10	30		IBEEHL
CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)ccc(N)c4C[C@H]3C[C@@H]12	ZINC000022057128	522034926	/nfs/dbraw/zinc/03/49/26/522034926.db2.gz	UNWRIWATQPEZLL-UVPAEMEASA-N	-2	3	429.429	-0.297	10	30	in-vitro	IBEEHL
CN(C)[C@@H]1C(=O)C(C(N)=O)=C([O-])[C@@]2(O)C(=O)C3=C([O-])c4c(O)ccc(N)c4C[C@H]3C[C@@H]12	ZINC000022057128	522034919	/nfs/dbraw/zinc/03/49/19/522034919.db2.gz	UNWRIWATQPEZLL-UVPAEMEASA-N	-2	3	429.429	-0.297	10	30	in-vitro	IBEEHL
CN(C)[C@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000028630680	563059768	/nfs/dbraw/zinc/05/97/68/563059768.db2.gz	OFVLGDICTFRJMM-REQQFZRASA-N	-2	3	444.440	-0.214	10	30		IBEEHL
CN(C)[C@H]1C(=O)C(C(N)=O)=C([O-])[C@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000028630680	563059767	/nfs/dbraw/zinc/05/97/67/563059767.db2.gz	OFVLGDICTFRJMM-REQQFZRASA-N	-2	3	444.440	-0.214	10	30		IBEEHL
C[C@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C([O-])=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@H](O)[C@@H]21	ZINC000028713783	569587317	/nfs/dbraw/zinc/58/73/17/569587317.db2.gz	JBIWCJUYHHGXTC-UGYUZMHCSA-N	-2	3	444.440	-0.348	10	30		IBEEHL
C[C@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@@]3(O)C([O-])=C(C(N)=O)C(=O)[C@H](N(C)C)[C@H]3[C@@H](O)[C@@H]21	ZINC000036377967	525117757	/nfs/dbraw/zinc/11/77/57/525117757.db2.gz	JBIWCJUYHHGXTC-WUKKRUQFSA-N	-2	3	444.440	-0.348	10	30		IBEEHL
C[C@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@@]3(O)C([O-])=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@H]3[C@@H](O)[C@@H]21	ZINC000036379569	525118099	/nfs/dbraw/zinc/11/80/99/525118099.db2.gz	JBIWCJUYHHGXTC-IQSWXOMWSA-N	-2	3	444.440	-0.348	10	30		IBEEHL
C[C@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21	ZINC000100611210	556631372	/nfs/dbraw/zinc/63/13/72/556631372.db2.gz	UEVKMCOZLJYVNG-JTIRNPJKSA-N	-2	3	444.440	-0.504	10	30	biogenic,in-vitro	IBEEHL
C[C@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C([O-])=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21	ZINC000100611210	556631369	/nfs/dbraw/zinc/63/13/69/556631369.db2.gz	UEVKMCOZLJYVNG-JTIRNPJKSA-N	-2	3	444.440	-0.504	10	30	biogenic,in-vitro	IBEEHL
C[C@@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H](N(C)C)[C@@H]3[C@H](O)[C@@H]21	ZINC000138347537	568951802	/nfs/dbraw/zinc/95/18/02/568951802.db2.gz	UEVKMCOZLJYVNG-DIYAVIASSA-N	-2	3	444.440	-0.504	10	30		IBEEHL
C[C@@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C([O-])=C(C(N)=O)C(=O)[C@H](N(C)C)[C@@H]3[C@H](O)[C@@H]21	ZINC000138347537	568951801	/nfs/dbraw/zinc/95/18/01/568951801.db2.gz	UEVKMCOZLJYVNG-DIYAVIASSA-N	-2	3	444.440	-0.504	10	30		IBEEHL
C[C@@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H](N(C)C)[C@@H]3[C@H](O)[C@H]21	ZINC000138347755	568951875	/nfs/dbraw/zinc/95/18/75/568951875.db2.gz	UEVKMCOZLJYVNG-RIKDGNKSSA-N	-2	3	444.440	-0.504	10	30		IBEEHL
C[C@@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C([O-])=C(C(N)=O)C(=O)[C@H](N(C)C)[C@@H]3[C@H](O)[C@H]21	ZINC000138347755	568951873	/nfs/dbraw/zinc/95/18/73/568951873.db2.gz	UEVKMCOZLJYVNG-RIKDGNKSSA-N	-2	3	444.440	-0.504	10	30		IBEEHL
C[C@@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H](N(C)C)[C@@H]3[C@@H](O)[C@H]21	ZINC000256003947	569300746	/nfs/dbraw/zinc/30/07/46/569300746.db2.gz	UEVKMCOZLJYVNG-DYCSESSTSA-N	-2	3	444.440	-0.504	10	30		IBEEHL
C[C@@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C([O-])=C(C(N)=O)C(=O)[C@H](N(C)C)[C@@H]3[C@@H](O)[C@H]21	ZINC000256003947	569300744	/nfs/dbraw/zinc/30/07/44/569300744.db2.gz	UEVKMCOZLJYVNG-DYCSESSTSA-N	-2	3	444.440	-0.504	10	30		IBEEHL
C[C@@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21	ZINC000256003948	569300729	/nfs/dbraw/zinc/30/07/29/569300729.db2.gz	UEVKMCOZLJYVNG-JALZVVOVSA-N	-2	3	444.440	-0.504	10	30		IBEEHL
C[C@@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C([O-])=C(C(N)=O)C(=O)[C@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21	ZINC000256003948	569300728	/nfs/dbraw/zinc/30/07/28/569300728.db2.gz	UEVKMCOZLJYVNG-JALZVVOVSA-N	-2	3	444.440	-0.504	10	30		IBEEHL