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-])c1ccccc1-c1ccc(C=C2SC(=S)[N-]C2=O)o1	ZINC000000970452	304266488	/nfs/dbraw/zinc/26/64/88/304266488.db2.gz	OTBNRWGTJUMXPA-KPKJPENVSA-N	-2	1	331.374	3.134	50	10		EGCAML
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1cccc(C(=O)[O-])c1	ZINC000015134082	453558745	/nfs/dbraw/zinc/55/87/45/453558745.db2.gz	COIGNWCPPHUXBG-BOPFTXTBSA-N	-2	1	335.363	3.412	50	10		EGCAML
O=C([O-])c1ccc(-c2ccc(/C=C3/SC(=S)[N-]C3=O)o2)cc1	ZINC000000974967	452639439	/nfs/dbraw/zinc/63/94/39/452639439.db2.gz	XXOSNTFGLAKMFZ-KPKJPENVSA-N	-2	1	331.374	3.134	50	10		EGCAML
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000004117508	210123732	/nfs/dbraw/zinc/12/37/32/210123732.db2.gz	HUPZMPORJIMUGA-ZSOIEALJSA-N	-2	1	342.376	3.116	50	10		EGCAML
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1cccc(C(=O)[O-])c1	ZINC000015930684	453589700	/nfs/dbraw/zinc/58/97/00/453589700.db2.gz	DXNOKQRWUGTDMH-YBEGLDIGSA-N	-2	1	339.326	3.242	50	10		EGCAML
Cc1ccc(C(=O)[O-])cc1-c1ccc(C=C2SC(=S)[N-]C2=O)o1	ZINC000001107156	452646000	/nfs/dbraw/zinc/64/60/00/452646000.db2.gz	JAHOUDQARBXBMK-QPEQYQDCSA-N	-2	1	345.401	3.442	50	10		EGCAML
Cc1c(C(=O)[O-])cccc1-c1ccc(C=C2SC(=O)[N-]C2=O)o1	ZINC000004680649	210246418	/nfs/dbraw/zinc/24/64/18/210246418.db2.gz	QDSSPOBUWOXOBT-QPEQYQDCSA-N	-2	1	329.333	3.277	50	10		EGCAML
O=S(=O)([N-]c1ccc([O-])c(Br)c1)c1cccs1	ZINC000000073730	258047603	/nfs/dbraw/zinc/04/76/03/258047603.db2.gz	QTQBUEYNRHGFAF-UHFFFAOYSA-N	-2	1	334.216	3.017	50	10		EGCAML
O=C([O-])c1ccccc1-c1ccc(/C=C2\SC(=S)[N-]C2=O)o1	ZINC000015230466	453562086	/nfs/dbraw/zinc/56/20/86/453562086.db2.gz	OTBNRWGTJUMXPA-GHXNOFRVSA-N	-2	1	331.374	3.134	50	10		EGCAML
Cc1ccc(C(=O)[O-])cc1-c1ccc(C=C2SC(=O)[N-]C2=O)o1	ZINC000004350102	452799719	/nfs/dbraw/zinc/79/97/19/452799719.db2.gz	CAVSNCNEUYETHB-NTUHNPAUSA-N	-2	1	329.333	3.277	50	10		EGCAML
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000001186812	301035383	/nfs/dbraw/zinc/03/53/83/301035383.db2.gz	XDRGDNNFODLFNL-ZSOIEALJSA-N	-2	1	342.376	3.116	50	10		EGCAML
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1cccc(C(=O)[O-])c1	ZINC000100040997	219088868	/nfs/dbraw/zinc/08/88/68/219088868.db2.gz	COIGNWCPPHUXBG-GZTJUZNOSA-N	-2	1	335.363	3.412	50	10		EGCAML
Cc1cc(C(=O)[O-])ccc1-c1ccc(C=C2SC(=S)[N-]C2=O)o1	ZINC000001180460	452646138	/nfs/dbraw/zinc/64/61/38/452646138.db2.gz	OYNKFXBZEGBQQM-NTUHNPAUSA-N	-2	1	345.401	3.442	50	10		EGCAML
O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=S)[N-]C3=O)o2)cc1	ZINC000013457874	453464985	/nfs/dbraw/zinc/46/49/85/453464985.db2.gz	XXOSNTFGLAKMFZ-GHXNOFRVSA-N	-2	1	331.374	3.134	50	10		EGCAML
O=C([O-])c1cccc(-c2ccc(/C=C3/SC(=S)[N-]C3=O)o2)c1	ZINC000003023843	452740218	/nfs/dbraw/zinc/74/02/18/452740218.db2.gz	BHFPIPOWNHCUDR-KPKJPENVSA-N	-2	1	331.374	3.134	50	10		EGCAML
O=C1C=CC(=NNc2cc(Cl)cc(S(=O)(=O)[O-])c2O)C([O-])=C1	ZINC000004946103	210336342	/nfs/dbraw/zinc/33/63/42/210336342.db2.gz	OTKYOGBGHUUFPC-CCEZHUSRSA-N	-2	1	344.732	3.119	50	10		EGCAML
O=C([O-])c1cc([N-]S(=O)(=O)c2cccc3ccccc32)ccc1O	ZINC000000572784	452627326	/nfs/dbraw/zinc/62/73/26/452627326.db2.gz	XAABHYRVSYKXSV-UHFFFAOYSA-N	-2	1	343.360	3.044	50	10		EGCAML