smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(C(=O)c2ccccc2)c(=O)c1C(c1c(C)[n-]n(C(=O)c2ccccc2)c1=O)c1ccccc1	ZINC000109417457	569860563	/nfs/dbraw/zinc/86/05/63/569860563.db2.gz	XAMCGKYCQITGPK-ZEQRLZLVSA-N	-2	1	492.535	4.120	10	0		JIAEML
COc1c(C)c(O)c(Cc2c([O-])c(C)c(OC)c(C(=O)C(C)C)c2O)c([O-])c1C(=O)C(C)C	ZINC000000900220	560179569	/nfs/dbraw/zinc/17/95/69/560179569.db2.gz	KPKGKOASFCAMGD-UHFFFAOYSA-N	-2	1	460.523	4.411	10	0	in-vitro	JIAEML
O=C([O-])c1ccc(F)cc1[N-]S(=O)(=O)c1cccc(-c2cnn(Cc3ccccc3)c2)c1	ZINC000045318239	563187739	/nfs/dbraw/zinc/18/77/39/563187739.db2.gz	GXYXASQXUQIUBR-UHFFFAOYSA-N	-2	1	451.479	4.237	10	0		JIAEML
Cc1cccc(N2CCN(c3ncc([N-]S(=O)(=O)c4cc(F)ccc4C)cc3C(=O)[O-])C[C@@H]2C)c1	ZINC000021883381	524561834	/nfs/dbraw/zinc/56/18/34/524561834.db2.gz	CGYWUILRWLFLSW-SFHVURJKSA-N	-2	1	498.580	4.052	10	0		JIAEML
Cc1[n-]n(C(=O)c2ccccc2)c(=O)c1C(c1c(C)[n-]n(C(=O)c2ccccc2)c1=O)c1ccccc1	ZINC000032106866	556418221	/nfs/dbraw/zinc/41/82/21/556418221.db2.gz	XAMCGKYCQITGPK-DNQXCXABSA-N	-2	1	492.535	4.120	10	0		JIAEML
O=C([O-])[C@H](CCc1cc(=O)oc2cc([O-])ccc12)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000095642932	569728374	/nfs/dbraw/zinc/72/83/74/569728374.db2.gz	HMNHMSKPYZLLBU-DEOSSOPVSA-N	-2	1	485.492	4.423	10	0		JIAEML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2)cnc1N1CCC(Cc2ccccc2)CC1	ZINC000035397240	569687877	/nfs/dbraw/zinc/68/78/77/569687877.db2.gz	FKCLJNZTRMDHOK-UHFFFAOYSA-N	-2	1	469.538	4.179	10	0		JIAEML
O=C([O-])c1ccc(N2CCN(c3ccc(Cl)cc3)CC2)c([N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000032961825	556579097	/nfs/dbraw/zinc/57/90/97/556579097.db2.gz	NOYRMBSDHQELQE-UHFFFAOYSA-N	-2	1	489.956	4.305	10	0		JIAEML