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([O-])c1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)c1	ZINC000013058464	558509172	/nfs/dbraw/zinc/50/91/72/558509172.db2.gz	KCROZWIHMZKPHI-VGOFMYFVSA-N	-1	0	410.303	5.097	10	10		HKCERM
CC(C)=CCc1cc(-c2cc(=O)c3c(O)cc([O-])c(CC=C(C)C)c3o2)cc(O)c1O	ZINC000014727566	291287140	/nfs/dbraw/zinc/28/71/40/291287140.db2.gz	QLZMBCVLWOJASJ-UHFFFAOYSA-N	-1	0	422.477	5.300	10	10		HKCERM
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2ccc(/N=N/c3ccccc3)cc2)c2nonc21	ZINC000020508934	558381717	/nfs/dbraw/zinc/38/17/17/558381717.db2.gz	SLKPKBPBHGAQRT-QZQOTICOSA-N	-1	0	405.330	5.198	10	10		HKCERM
O=C([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1cccc(Br)c1)N2	ZINC000020598185	526370127	/nfs/dbraw/zinc/37/01/27/526370127.db2.gz	UPZQBMUNPBQUAC-AHIWAGSCSA-N	-1	0	404.691	5.627	10	10		HKCERM
O=C([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N2	ZINC000020598186	526370156	/nfs/dbraw/zinc/37/01/56/526370156.db2.gz	UPZQBMUNPBQUAC-DCGLDWPTSA-N	-1	0	404.691	5.627	10	10		HKCERM
Nc1ccc(Oc2ccc3c(c2)oc2cc(=O)ccc-2c3-c2ccccc2C(=O)[O-])cc1	ZINC000022309208	558477419	/nfs/dbraw/zinc/47/74/19/558477419.db2.gz	GIERQYKZWFLVGR-UHFFFAOYSA-N	-1	0	423.424	5.638	10	10		HKCERM
O=C([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2	ZINC000032192950	526369986	/nfs/dbraw/zinc/36/99/86/526369986.db2.gz	DVJSXCPNEHBBTO-AHIWAGSCSA-N	-1	0	404.691	5.627	10	10		HKCERM
O=C([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2	ZINC000032192952	526369829	/nfs/dbraw/zinc/36/98/29/526369829.db2.gz	DVJSXCPNEHBBTO-DCGLDWPTSA-N	-1	0	404.691	5.627	10	10		HKCERM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cccc(Oc4ccccc4)c3)C2=O)c1	ZINC000033379006	132789561	/nfs/dbraw/zinc/78/95/61/132789561.db2.gz	VTSRVEFOMDGZOE-JCMHNJIXSA-N	-1	0	412.445	5.602	10	10		HKCERM