smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccc(OC(C)C)cc1	ZINC000218109586	568925740	/nfs/dbraw/zinc/92/57/40/568925740.db2.gz	WXZBMTRLSOLZAN-MRXNPFEDSA-N	-1	0	422.433	4.238	50	70		HIIARM
O=S(=O)([N-]c1ccsc1-c1nc(C2CC2)no1)c1cccc(C(F)(F)F)c1	ZINC000217286877	568868481	/nfs/dbraw/zinc/86/84/81/568868481.db2.gz	FSPMXQJSHKGKMO-UHFFFAOYSA-N	-1	0	415.418	4.495	50	70		HIIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccc(OC(C)C)cc1	ZINC000218109529	568925757	/nfs/dbraw/zinc/92/57/57/568925757.db2.gz	WXZBMTRLSOLZAN-INIZCTEOSA-N	-1	0	422.433	4.238	50	70		HIIARM
Cc1nc2sc([C@H](c3ccc(Br)s3)N3CCCCC3)c([O-])n2n1	ZINC000218562598	568481751	/nfs/dbraw/zinc/48/17/51/568481751.db2.gz	JNOHXCPBSMQISI-LBPRGKRZSA-N	-1	0	413.366	4.204	50	70		HIIARM
CSc1ccc([C@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)cc1	ZINC000217738658	568908937	/nfs/dbraw/zinc/90/89/37/568908937.db2.gz	XVVLUQAGFSFORG-CQSZACIVSA-N	-1	0	410.447	4.173	50	70		HIIARM
Cc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)cc5)oc4c32)o1	ZINC000217753936	568910409	/nfs/dbraw/zinc/91/04/09/568910409.db2.gz	QKTJRTNWJYZTDF-CQSZACIVSA-N	-1	0	404.374	4.214	50	70		HIIARM
O=C1C[C@@H](c2ccsc2)c2c(cc([O-])c3c(=O)cc(-c4ccc(O)cc4)oc32)O1	ZINC000217904543	568919121	/nfs/dbraw/zinc/91/91/21/568919121.db2.gz	DMCUXZAQEDFNHP-AWEZNQCLSA-N	-1	0	406.415	4.374	50	70		HIIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccc(F)c(Cl)c1	ZINC000217981178	568921760	/nfs/dbraw/zinc/92/17/60/568921760.db2.gz	AJVWDEKYVMDHKV-LLVKDONJSA-N	-1	0	416.788	4.243	50	70		HIIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccc(F)c(Cl)c1	ZINC000217981093	568921783	/nfs/dbraw/zinc/92/17/83/568921783.db2.gz	AJVWDEKYVMDHKV-NSHDSACASA-N	-1	0	416.788	4.243	50	70		HIIARM
O=c1cc(-c2ccc(O)cc2)oc2c1c([O-])cc1c2[C@H](c2ccc(O)cc2)CC(=O)O1	ZINC000217923800	568919908	/nfs/dbraw/zinc/91/99/08/568919908.db2.gz	SGXPMELNLKOHJQ-INIZCTEOSA-N	-1	0	416.385	4.018	50	70		HIIARM
O=c1cc(-c2ccc(O)cc2)oc2c1c([O-])cc1c2[C@@H](c2ccc(O)cc2)CC(=O)O1	ZINC000217923714	568919951	/nfs/dbraw/zinc/91/99/51/568919951.db2.gz	SGXPMELNLKOHJQ-MRXNPFEDSA-N	-1	0	416.385	4.018	50	70		HIIARM
O=C1C[C@H](c2ccsc2)c2c(cc([O-])c3c(=O)cc(-c4ccc(O)cc4)oc32)O1	ZINC000217904607	568918995	/nfs/dbraw/zinc/91/89/95/568918995.db2.gz	DMCUXZAQEDFNHP-CQSZACIVSA-N	-1	0	406.415	4.374	50	70		HIIARM
CSc1ccc([C@@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)cc1	ZINC000217738583	568908985	/nfs/dbraw/zinc/90/89/85/568908985.db2.gz	XVVLUQAGFSFORG-AWEZNQCLSA-N	-1	0	410.447	4.173	50	70		HIIARM
Cc1nc2sc([C@@H](c3ccc(Br)s3)N3CCCCC3)c([O-])n2n1	ZINC000218562524	568481805	/nfs/dbraw/zinc/48/18/05/568481805.db2.gz	JNOHXCPBSMQISI-GFCCVEGCSA-N	-1	0	413.366	4.204	50	70		HIIARM
Cc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)cc5)oc4c32)o1	ZINC000217753851	568910420	/nfs/dbraw/zinc/91/04/20/568910420.db2.gz	QKTJRTNWJYZTDF-AWEZNQCLSA-N	-1	0	404.374	4.214	50	70		HIIARM