smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccccc4F)C3=O)o2)cc1C(=O)[O-]	ZINC000059105249	569458976	/nfs/dbraw/zinc/45/89/76/569458976.db2.gz	FKAKXBHRGMNFJR-LFIBNONCSA-N	-1	2	434.379	4.599	50	10		IJCALM
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2=O)c1	ZINC000008768605	132293702	/nfs/dbraw/zinc/29/37/02/132293702.db2.gz	GKYUOSALODTUOW-XDHOZWIPSA-N	-1	2	430.416	4.768	50	10		IJCALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C)c(C(=O)[O-])c4)o3)C2=O)cc1	ZINC000017145782	569174589	/nfs/dbraw/zinc/17/45/89/569174589.db2.gz	ZLOKXVIDHXNMJU-XDHOZWIPSA-N	-1	2	430.416	4.768	50	10		IJCALM
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)c1	ZINC000008914922	132297960	/nfs/dbraw/zinc/29/79/60/132297960.db2.gz	HAZBRBLEPNPFPL-UNOMPAQXSA-N	-1	2	430.416	4.768	50	10		IJCALM
O=C([O-])c1cc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccccc4)C3=O)o2)ccc1Cl	ZINC000018193766	557247315	/nfs/dbraw/zinc/24/73/15/557247315.db2.gz	FHAGMIYIEXIYSY-LFIBNONCSA-N	-1	2	436.807	4.805	50	10		IJCALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C2=O)cc1	ZINC000015745861	556547905	/nfs/dbraw/zinc/54/79/05/556547905.db2.gz	VKLQENKPIXWDGP-XDHOZWIPSA-N	-1	2	430.416	4.768	50	10		IJCALM
CC[C@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c([O-])c(Cl)c3)C2=O)cc1	ZINC000012285192	522036566	/nfs/dbraw/zinc/03/65/66/522036566.db2.gz	QJVJQIMFLLKVTC-LWHXSLQUSA-N	-1	2	433.291	4.879	50	10		IJCALM
Cc1cc(C(=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)o1	ZINC000016182832	557470504	/nfs/dbraw/zinc/47/05/04/557470504.db2.gz	NFWQSKBWNQUKIA-LFIBNONCSA-N	-1	2	434.379	4.599	50	10		IJCALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C2=O)cc1	ZINC000016995504	569169983	/nfs/dbraw/zinc/16/99/83/569169983.db2.gz	VKLQENKPIXWDGP-UNOMPAQXSA-N	-1	2	430.416	4.768	50	10		IJCALM
O=C([O-])c1cccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)c1	ZINC000013893279	132355217	/nfs/dbraw/zinc/35/52/17/132355217.db2.gz	SBYZFWUWMLXMCF-GZTJUZNOSA-N	-1	2	436.807	4.805	50	10		IJCALM
Cc1cc(C(=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)o1	ZINC000013940425	132355430	/nfs/dbraw/zinc/35/54/30/132355430.db2.gz	NFWQSKBWNQUKIA-WJDWOHSUSA-N	-1	2	434.379	4.599	50	10		IJCALM
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=O)cc1	ZINC000013685522	132353491	/nfs/dbraw/zinc/35/34/91/132353491.db2.gz	JMVLAYXITOQORQ-UYRXBGFRSA-N	-1	2	430.416	4.714	50	10		IJCALM
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c([O-])c(Cl)c3)C2=O)cc1	ZINC000012285191	522426289	/nfs/dbraw/zinc/42/62/89/522426289.db2.gz	QJVJQIMFLLKVTC-SHLUWWQESA-N	-1	2	433.291	4.879	50	10		IJCALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2=O)cc1C	ZINC000096562516	569401186	/nfs/dbraw/zinc/40/11/86/569401186.db2.gz	PNSLVYZQBRGPIT-XDHOZWIPSA-N	-1	2	430.416	4.768	50	10		IJCALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C2=O)cc1	ZINC000013943908	556341098	/nfs/dbraw/zinc/34/10/98/556341098.db2.gz	QROWPEYGIUVPOC-XDHOZWIPSA-N	-1	2	430.416	4.768	50	10		IJCALM
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)cc1	ZINC000020171736	556994805	/nfs/dbraw/zinc/99/48/05/556994805.db2.gz	ZAOPLYDDMFMYON-UYRXBGFRSA-N	-1	2	430.416	4.714	50	10		IJCALM
CC1=NN(c2cc(Cl)c(S(=O)(=O)[O-])cc2Cl)C(=O)C1=NNc1ccccc1	ZINC000101147767	557283586	/nfs/dbraw/zinc/28/35/86/557283586.db2.gz	YMXFMCLSMMNPAB-VXPUYCOJSA-N	-1	2	427.269	4.855	50	10		IJCALM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2=O)cc1	ZINC000033343659	557122278	/nfs/dbraw/zinc/12/22/78/557122278.db2.gz	BJNJUMDPLDXLBZ-UYRXBGFRSA-N	-1	2	446.415	4.550	50	10		IJCALM