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=NNc2nc([O-])c(CC(=O)[O-])s2)cc1OCc1ccc(Cl)cc1	ZINC000008683264	562961924	/nfs/dbraw/zinc/96/19/24/562961924.db2.gz	STVUQYNUZOQKKO-MMXTWKRJSA-N	-2	1	447.900	3.324	50	30		IGEAML
O=C([O-])Cc1sc(NN=Cc2ccc(OCc3c(F)cccc3Cl)cc2)nc1[O-]	ZINC000006974281	556112218	/nfs/dbraw/zinc/11/22/18/556112218.db2.gz	PXJORQUMWIHSDB-QPCOYWRUSA-N	-2	1	435.864	3.454	50	30		IGEAML
COc1ccc(C=NNc2nc([O-])c(CC(=O)[O-])s2)cc1OCc1ccccc1Cl	ZINC000008683266	562961956	/nfs/dbraw/zinc/96/19/56/562961956.db2.gz	UDKPBBQVEDZQNJ-MMXTWKRJSA-N	-2	1	447.900	3.324	50	30		IGEAML
COc1ccc(C=NNc2nc([O-])c(CC(=O)[O-])s2)cc1OCc1ccc(Cl)cc1	ZINC000008683263	562961937	/nfs/dbraw/zinc/96/19/37/562961937.db2.gz	STVUQYNUZOQKKO-KQFRHJRUSA-N	-2	1	447.900	3.324	50	30		IGEAML
CCCc1cc(-c2nc(C)c(C(C)=NNc3nc([O-])c(CC(=O)[O-])s3)s2)ccn1	ZINC000013607555	521341539	/nfs/dbraw/zinc/34/15/39/521341539.db2.gz	OLPNFBZWAHORCC-BMYBCIMUSA-N	-2	1	431.543	3.252	50	30		IGEAML
COc1ccc(C=NNc2nc([O-])c(CC(=O)[O-])s2)cc1OCc1ccccc1Cl	ZINC000008683265	562961942	/nfs/dbraw/zinc/96/19/42/562961942.db2.gz	UDKPBBQVEDZQNJ-KQFRHJRUSA-N	-2	1	447.900	3.324	50	30		IGEAML
COc1cc(C=NNc2nc([O-])c(CC(=O)[O-])s2)ccc1OCc1ccc(Cl)cc1	ZINC000006624797	556098812	/nfs/dbraw/zinc/09/88/12/556098812.db2.gz	FPVWONMODUMUJO-MMXTWKRJSA-N	-2	1	447.900	3.324	50	30		IGEAML
C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)[O-])c3)c2C)C(=O)[N-]C1=S	ZINC000012362840	518832702	/nfs/dbraw/zinc/83/27/02/518832702.db2.gz	FVJTUCPRIJCHIP-SXGWCWSVSA-N	-2	1	443.912	3.258	50	30		IGEAML
CN(Cc1ccc(C#N)cc1)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000072311856	556591515	/nfs/dbraw/zinc/59/15/15/556591515.db2.gz	FVUSJVJJCJIUIT-UHFFFAOYSA-N	-2	1	427.507	3.398	50	30		IGEAML
CCCc1cc(-c2nc(C)c(C(C)=NNc3nc([O-])c(CC(=O)[O-])s3)s2)ccn1	ZINC000013607552	521341721	/nfs/dbraw/zinc/34/17/21/521341721.db2.gz	OLPNFBZWAHORCC-YTRQYYDFSA-N	-2	1	431.543	3.252	50	30		IGEAML
O=C([O-])COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccnc2)cc1	ZINC000008846465	569479107	/nfs/dbraw/zinc/47/91/07/569479107.db2.gz	KPEYDTZZKRDUDS-OAQYLSRUSA-N	-2	1	430.416	3.328	50	30		IGEAML
O=C([O-])COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccnc2)cc1	ZINC000008846466	569479081	/nfs/dbraw/zinc/47/90/81/569479081.db2.gz	KPEYDTZZKRDUDS-NRFANRHFSA-N	-2	1	430.416	3.328	50	30		IGEAML