smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H]([NH+](C)C)[C@H]3[C@H](O)[C@H]21	ZINC000011592655	556342439	/nfs/dbraw/zinc/34/24/39/556342439.db2.gz	JBIWCJUYHHGXTC-ACFMPZSDSA-N	0	2	444.440	-0.348	10	30		IBEELN
C[C@H]1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@@H]21	ZINC000013783291	563006918	/nfs/dbraw/zinc/00/69/18/563006918.db2.gz	JBIWCJUYHHGXTC-NLJUDYQYSA-N	0	2	444.440	-0.348	10	30		IBEELN
C[NH+](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	522034908	/nfs/dbraw/zinc/03/49/08/522034908.db2.gz	UNWRIWATQPEZLL-UVPAEMEASA-N	0	2	429.429	-0.297	10	30	in-vitro	IBEELN
C[C@H]1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@H](O)[C@@H]21	ZINC000028713783	569587316	/nfs/dbraw/zinc/58/73/16/569587316.db2.gz	JBIWCJUYHHGXTC-UGYUZMHCSA-N	0	2	444.440	-0.348	10	30		IBEELN
C[C@H]1c2cccc(O)c2C(O)=C2C(=O)[C@@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H]([NH+](C)C)[C@H]3[C@@H](O)[C@@H]21	ZINC000036377967	525117752	/nfs/dbraw/zinc/11/77/52/525117752.db2.gz	JBIWCJUYHHGXTC-WUKKRUQFSA-N	0	2	444.440	-0.348	10	30		IBEELN
C[C@H]1c2cccc(O)c2C(O)=C2C(=O)[C@@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]3[C@@H](O)[C@@H]21	ZINC000036379569	525118091	/nfs/dbraw/zinc/11/80/91/525118091.db2.gz	JBIWCJUYHHGXTC-IQSWXOMWSA-N	0	2	444.440	-0.348	10	30		IBEELN
C[C@H]1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@@H]21	ZINC000100611210	556631366	/nfs/dbraw/zinc/63/13/66/556631366.db2.gz	UEVKMCOZLJYVNG-JTIRNPJKSA-N	0	2	444.440	-0.504	10	30	biogenic,in-vitro	IBEELN
C[C@@H]1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H]([NH+](C)C)[C@@H]3[C@H](O)[C@@H]21	ZINC000138347537	568951799	/nfs/dbraw/zinc/95/17/99/568951799.db2.gz	UEVKMCOZLJYVNG-DIYAVIASSA-N	0	2	444.440	-0.504	10	30		IBEELN
C[C@@H]1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H]([NH+](C)C)[C@@H]3[C@H](O)[C@H]21	ZINC000138347755	568951871	/nfs/dbraw/zinc/95/18/71/568951871.db2.gz	UEVKMCOZLJYVNG-RIKDGNKSSA-N	0	2	444.440	-0.504	10	30		IBEELN
C[C@@H]1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@H]21	ZINC000256003947	569300742	/nfs/dbraw/zinc/30/07/42/569300742.db2.gz	UEVKMCOZLJYVNG-DYCSESSTSA-N	0	2	444.440	-0.504	10	30		IBEELN
C[C@@H]1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@@H]21	ZINC000256003948	569300726	/nfs/dbraw/zinc/30/07/26/569300726.db2.gz	UEVKMCOZLJYVNG-JALZVVOVSA-N	0	2	444.440	-0.504	10	30		IBEELN