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-])N[C@H](CC(=O)NN=c1[n-]c(C(F)(F)F)cs1)c1ccccc1	ZINC000834128046	605631768	/nfs/dbraw/zinc/63/17/68/605631768.db2.gz	SFAAJPGWUNGRRL-SECBINFHSA-N	-2	0	374.344	3.004	20	50		FGGDRL
O=C([O-])N1CCC[C@@H]1[C@@H]1CCCC1=NNC(=O)c1ccc([O-])c(Cl)c1	ZINC000834045456	605724813	/nfs/dbraw/zinc/72/48/13/605724813.db2.gz	OISLOWJSRGZKMS-BXUZGUMPSA-N	-2	0	365.817	3.074	20	50		FGGDRL
O=C([O-])N1CCC[C@H]1[C@@H]1CCCC1=NNC(=O)c1ccc([O-])c(Cl)c1	ZINC000834045458	605724429	/nfs/dbraw/zinc/72/44/29/605724429.db2.gz	OISLOWJSRGZKMS-RISCZKNCSA-N	-2	0	365.817	3.074	20	50		FGGDRL
O=C([O-])N1CCCc2cccc(C=NNC(=O)c3ccc([O-])c(Cl)c3)c21	ZINC000831736465	604828117	/nfs/dbraw/zinc/82/81/17/604828117.db2.gz	MNJHNLPDFOGESI-UHFFFAOYSA-N	-2	0	373.796	3.240	20	50		FGGDRL
Cc1cc(C(=O)NN=c2[n-]c(C(F)(F)F)cs2)ccc1NC(=O)[O-]	ZINC000829962243	605326407	/nfs/dbraw/zinc/32/64/07/605326407.db2.gz	YQLCJJLBGKRFKN-UHFFFAOYSA-N	-2	0	360.317	3.317	20	50		FGGDRL
O=C([O-])c1csc([N-]S(=O)(=O)c2ccc(CCCCl)cc2)c1	ZINC000833343777	602116678	/nfs/dbraw/zinc/11/66/78/602116678.db2.gz	NUGCLJGIQXOZLG-UHFFFAOYSA-N	-2	0	359.856	3.419	20	50		FGGDRL
O=C([O-])N[C@@H](CC(=O)NN=c1[n-]c(C(F)(F)F)cs1)c1ccccc1	ZINC000834128047	605631969	/nfs/dbraw/zinc/63/19/69/605631969.db2.gz	SFAAJPGWUNGRRL-VIFPVBQESA-N	-2	0	374.344	3.004	20	50		FGGDRL
O=C([O-])Nc1ccc(C(=O)N[N-]C(=O)c2cc3ccccc3o2)c(Cl)c1	ZINC000832838975	603498386	/nfs/dbraw/zinc/49/83/86/603498386.db2.gz	OIEABQRZLPMGHK-UHFFFAOYSA-N	-2	0	373.752	3.251	20	50		FGGDRL
O=C([O-])N1CCC[C@H]1[C@H]1CCCC1=NNC(=O)c1ccc([O-])c(Cl)c1	ZINC000834045457	605724571	/nfs/dbraw/zinc/72/45/71/605724571.db2.gz	OISLOWJSRGZKMS-FZMZJTMJSA-N	-2	0	365.817	3.074	20	50		FGGDRL
O=C([O-])Nc1cc(C(=O)NN=c2[n-]c(C(F)(F)F)cs2)ccc1F	ZINC000832821186	603483315	/nfs/dbraw/zinc/48/33/15/603483315.db2.gz	WNBPSOLAUDMNOB-UHFFFAOYSA-N	-2	0	364.280	3.148	20	50		FGGDRL
O=C([O-])N1CCC[C@@H]1[C@H]1CCCC1=NNC(=O)c1ccc([O-])c(Cl)c1	ZINC000834045460	605724892	/nfs/dbraw/zinc/72/48/92/605724892.db2.gz	OISLOWJSRGZKMS-SMDDNHRTSA-N	-2	0	365.817	3.074	20	50		FGGDRL
Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc(CCCl)cc1	ZINC000833741349	605126428	/nfs/dbraw/zinc/12/64/28/605126428.db2.gz	IUNBBHWQMNRJOE-UHFFFAOYSA-N	-2	0	359.856	3.337	20	50		FGGDRL