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@H](C)NCc2cc(F)ccc2Br)c([O-])c1	ZINC000038039032	204786279	/nfs/dbraw/zinc/78/62/79/204786279.db2.gz	YMWXXJQJGNEZQT-JTQLQIEISA-N	-1	3	354.219	4.153	10	10		FICEHM
O=[N+]([O-])c1ccc(/N=N/c2cc3c(c4cccc([O-])c24)NC[C@@H](O)C3)cc1	ZINC000038646713	205042181	/nfs/dbraw/zinc/04/21/81/205042181.db2.gz	WVJOJDCLAFKLPC-OXBTWTFQSA-N	-1	3	364.361	4.198	10	10		FICEHM
COc1ccc([C@H](N[C@H](C)c2cc(Cl)ccc2[O-])c2nccn2C)cc1	ZINC000184960655	1101683922	/nfs/dbraw/zinc/68/39/22/1101683922.db2.gz	RGPONRWVCQIDLY-YJYMSZOUSA-N	-1	3	371.868	4.228	10	10		FICEHM
O=[N+]([O-])c1ccc(/N=N\c2cc3c(c4cccc([O-])c24)NC[C@H](O)C3)cc1	ZINC000100354471	209213381	/nfs/dbraw/zinc/21/33/81/209213381.db2.gz	WVJOJDCLAFKLPC-NAJQJYEQSA-N	-1	3	364.361	4.198	10	10		FICEHM
COc1ccc([C@@H](N[C@H](C)c2cc(Cl)ccc2[O-])c2nccn2C)cc1	ZINC000184960690	1101683850	/nfs/dbraw/zinc/68/38/50/1101683850.db2.gz	RGPONRWVCQIDLY-BFUOFWGJSA-N	-1	3	371.868	4.228	10	10		FICEHM
O=[N+]([O-])c1ccc(/N=N\c2cc3c(c4cccc([O-])c24)NC[C@@H](O)C3)cc1	ZINC000100354464	209214033	/nfs/dbraw/zinc/21/40/33/209214033.db2.gz	WVJOJDCLAFKLPC-MOHKDSSBSA-N	-1	3	364.361	4.198	10	10		FICEHM
COc1ccc([C@H](N[C@@H](C)c2cc(Cl)ccc2[O-])c2nccn2C)cc1	ZINC000184960637	1101683178	/nfs/dbraw/zinc/68/31/78/1101683178.db2.gz	RGPONRWVCQIDLY-DJJJIMSYSA-N	-1	3	371.868	4.228	10	10		FICEHM
COc1ccc([C@@H](N[C@@H](C)c2cc(Cl)ccc2[O-])c2nccn2C)cc1	ZINC000184960673	1101684275	/nfs/dbraw/zinc/68/42/75/1101684275.db2.gz	RGPONRWVCQIDLY-ORAYPTAESA-N	-1	3	371.868	4.228	10	10		FICEHM
O=C(N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21)c1cccnc1	ZINC000003070883	210080141	/nfs/dbraw/zinc/08/01/41/210080141.db2.gz	XTCYQMRBXGOWRR-QFIPXVFZSA-N	-1	3	354.409	4.460	10	10		FICEHM
COc1cccc([O-])c1CN(Cc1ccncc1)Cc1ccc(F)cc1	ZINC000055073881	571116167	/nfs/dbraw/zinc/11/61/67/571116167.db2.gz	DWSASOMTFXEFFF-UHFFFAOYSA-N	-1	3	352.409	4.137	10	10		FICEHM
C[C@H](Nc1cccc(I)c1)c1ccc(F)cc1[O-]	ZINC000062745526	221140456	/nfs/dbraw/zinc/14/04/56/221140456.db2.gz	NCSJRBCJKOPJDV-VIFPVBQESA-N	-1	3	357.166	4.309	10	10		FICEHM
O=c1c(C=Nc2cccc(C(F)(F)F)c2)c[n-]n1-c1cccc(Cl)n1	ZINC000100408037	222243490	/nfs/dbraw/zinc/24/34/90/222243490.db2.gz	QYLKJUWLDZNZML-CSKARUKUSA-N	-1	3	366.730	4.082	10	10		FICEHM
C[C@@H](Nc1cccc(I)c1)c1ccc(F)cc1[O-]	ZINC000062745527	221140651	/nfs/dbraw/zinc/14/06/51/221140651.db2.gz	NCSJRBCJKOPJDV-SECBINFHSA-N	-1	3	357.166	4.309	10	10		FICEHM