smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(OC)c(NN=C2C=CC([O-])=CC2=O)c1	ZINC000095562206	185009307	/nfs/dbraw/zinc/00/93/07/185009307.db2.gz	UYPYULYCVXPIPY-FOCLMDBBSA-N	-1	0	274.276	3.530	1	10		CHCFRM
O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3C[C@@H]1CC=C[C@@H]21	ZINC000005580353	136394686	/nfs/dbraw/zinc/39/46/86/136394686.db2.gz	IMJRVLOUNFCYRI-NZBPQXDJSA-N	-1	0	293.366	3.538	1	10		CHCFRM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C)cc1	ZINC000102813883	185792020	/nfs/dbraw/zinc/79/20/20/185792020.db2.gz	MZPVWOCTNZRDJS-NXDJFEHLSA-N	-1	0	292.342	3.870	1	10		CHCFRM
CCC[C@H]1Nc2ccc(C(=O)[O-])cc2[C@@H]2C=CC[C@H]21	ZINC000013554740	170561924	/nfs/dbraw/zinc/56/19/24/170561924.db2.gz	XFIGYHUNCNSWNJ-YRGRVCCFSA-N	-1	0	257.333	3.639	1	10		CHCFRM
CN(CC(=O)[O-])c1ccc(/C=C2\C=Cc3ccccc32)cc1	ZINC000072134953	176322133	/nfs/dbraw/zinc/32/21/33/176322133.db2.gz	TVEQNPWARFOQHF-FOWTUZBSSA-N	-1	0	291.350	3.775	1	10		CHCFRM
CC(C)(C)[C@H]1Nc2ccc(C(=O)[O-])cc2[C@@H]2C=CC[C@@H]21	ZINC000049112608	518982814	/nfs/dbraw/zinc/98/28/14/518982814.db2.gz	XHHXQMOUIXCSIU-XUJVJEKNSA-N	-1	0	271.360	3.885	1	10		CHCFRM
O=C([O-])[C@H]1Nc2c(Cl)cc(Cl)cc2[C@@H]2C=CC[C@H]21	ZINC000006057276	170172929	/nfs/dbraw/zinc/17/29/29/170172929.db2.gz	CBSRXMMJHDMLKI-RWYTXXIDSA-N	-1	0	284.142	3.532	1	10		CHCFRM
COc1ccc(Nc2ccc(Cl)cc2)c(C(=O)[O-])c1	ZINC000004019194	184528420	/nfs/dbraw/zinc/52/84/20/184528420.db2.gz	OBTPMTAGDXEDIG-UHFFFAOYSA-N	-1	0	277.707	3.790	3	10		CHCFRM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccncc1)N2	ZINC000013151548	567865089	/nfs/dbraw/zinc/86/50/89/567865089.db2.gz	KRECIDINTYZSHC-GRDNDAEWSA-N	-1	0	292.338	3.606	1	10		CHCFRM
COc1cc(NN=C2C=CC([O-])=CC2=O)cc(OC)c1	ZINC000095559071	185008852	/nfs/dbraw/zinc/00/88/52/185008852.db2.gz	NCSDTAMIRRHEQY-FOCLMDBBSA-N	-1	0	274.276	3.530	1	10		CHCFRM