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([N-]C(F)(F)F)N1CCCC1	217266800	573273035	/nfs/dbraw/zinc/27/30/35/573273035.db2.gz	HMPVOEXFATXKCH-UHFFFAOYSA-N	-1	3	182.145	1.312	10	70		ADIEHM
CC(C)NC(=O)[N-]C(F)(F)F	217266596	573230661	/nfs/dbraw/zinc/23/06/61/573230661.db2.gz	DOFRIONTBIYBTB-UHFFFAOYSA-N	-1	3	170.134	1.214	10	70		ADIEHM
O=C1Nc2cccc([O-])c2C12CC2	217624567	169390879	/nfs/dbraw/zinc/39/08/79/169390879.db2.gz	SKVZYUIDTIEVAT-UHFFFAOYSA-N	-1	3	175.187	1.376	10	70		ADIEHM
CN(C)Cc1cc([O-])cc(F)c1	159968906	344155488	/nfs/dbraw/zinc/15/54/88/344155488.db2.gz	SFAARZJZFCJUNI-UHFFFAOYSA-N	-1	3	169.199	1.593	10	70		ADIEHM
[O-]c1cc(F)cc(CNO)c1	159610286	344149172	/nfs/dbraw/zinc/14/91/72/344149172.db2.gz	MKYURTNGVYCBEJ-UHFFFAOYSA-N	-1	3	157.144	1.010	10	70		ADIEHM
COC(=N)c1cc([O-])cc(F)c1	159769969	344151850	/nfs/dbraw/zinc/15/18/50/344151850.db2.gz	VGZNRTDVNDSGQY-UHFFFAOYSA-N	-1	3	169.155	1.503	10	70		ADIEHM
O=C1N[C@H](c2cc([O-])cc(F)c2)CO1	159788583	344152236	/nfs/dbraw/zinc/15/22/36/344152236.db2.gz	OJADQPYQKGVRSS-QMMMGPOBSA-N	-1	3	197.165	1.312	10	70		ADIEHM
O=C1N[C@@H](c2cc([O-])cc(F)c2)CO1	159788709	344152262	/nfs/dbraw/zinc/15/22/62/344152262.db2.gz	OJADQPYQKGVRSS-MRVPVSSYSA-N	-1	3	197.165	1.312	10	70		ADIEHM
Cc1occc1-c1nccc(=O)[n-]1	160405311	344165206	/nfs/dbraw/zinc/16/52/06/344165206.db2.gz	JAOYQYJMPMYJBR-UHFFFAOYSA-N	-1	3	176.175	1.338	10	70		ADIEHM
[O-]c1cnc(OCC2CC2)c(F)c1	217045495	344400249	/nfs/dbraw/zinc/40/02/49/344400249.db2.gz	VTRYDAKUMYYLKH-UHFFFAOYSA-N	-1	3	183.182	1.715	10	70		ADIEHM
CCOC(=O)c1ccc(F)[n-]1	217908837	344407989	/nfs/dbraw/zinc/40/79/89/344407989.db2.gz	JDFYESBVZXTWGF-UHFFFAOYSA-N	-1	3	157.144	1.331	10	70		ADIEHM
CC(=O)N[C@@H](C)c1ccc([O-])c(F)c1	218078532	344409597	/nfs/dbraw/zinc/40/95/97/344409597.db2.gz	IRUBZYYUXNIGIN-LURJTMIESA-N	-1	3	197.209	1.728	10	70		ADIEHM
CC(=O)N[C@H](C)c1ccc([O-])c(F)c1	218078616	344409902	/nfs/dbraw/zinc/40/99/02/344409902.db2.gz	IRUBZYYUXNIGIN-ZCFIWIBFSA-N	-1	3	197.209	1.728	10	70		ADIEHM