smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1c(=O)c(C(=O)/C=C/c2ccc(O)cc2[O-])c([O-])c2ccccc21	ZINC000100192684	495064219	/nfs/dbraw/zinc/06/42/19/495064219.db2.gz	BBBQNAWCTJKPKW-CSKARUKUSA-N	-2	3	351.358	3.034	40	30		FGEBHL
Cc1ccc(O)c(/C(CCCCCCCCC(=O)NCC(=O)[O-])=N/[O-])c1	ZINC000006189436	525332595	/nfs/dbraw/zinc/33/25/95/525332595.db2.gz	FLWYGPZJEAWAET-LTGZKZEYSA-N	-2	3	364.442	3.201	40	30		FGEBHL
CCCc1nc(SC(=Cc2cn(CC#N)c3ccccc23)C(=O)[O-])n[n-]1	ZINC000213386190	571311323	/nfs/dbraw/zinc/31/13/23/571311323.db2.gz	XSBMJLSLDRUVTH-GDNBJRDFSA-N	-2	3	367.434	3.453	40	30		FGEBHL
CCc1nc(SC(=Cc2cn(CC#N)c3ccccc23)C(=O)[O-])n[n-]1	ZINC000213406664	571311350	/nfs/dbraw/zinc/31/13/50/571311350.db2.gz	SXMZEINHVSFACU-ZROIWOOFSA-N	-2	3	353.407	3.063	40	30		FGEBHL
Cc1ccnc([N-]S(=O)(=O)c2ccc(/N=C\c3ccccc3[O-])cc2)n1	ZINC000104306482	525695792	/nfs/dbraw/zinc/69/57/92/525695792.db2.gz	YAPHCRLOBQDWOD-NDENLUEZSA-N	-2	3	368.418	3.042	40	30		FGEBHL
Cc1ccnc([N-]S(=O)(=O)c2ccc(/N=C/c3ccccc3[O-])cc2)n1	ZINC000015778047	494368023	/nfs/dbraw/zinc/36/80/23/494368023.db2.gz	YAPHCRLOBQDWOD-UDWIEESQSA-N	-2	3	368.418	3.042	40	30		FGEBHL
O=C([O-])c1ccccc1/N=C/c1cc(I)ccc1[O-]	ZINC000101572101	222278131	/nfs/dbraw/zinc/27/81/31/222278131.db2.gz	JPXUDWRFRZGUON-LZYBPNLTSA-N	-2	3	367.142	3.446	40	30		FGEBHL
CCOc1cc(C=Nn2c(CC)n[n-]c2=S)cc(Br)c1[O-]	ZINC000006451325	207140198	/nfs/dbraw/zinc/14/01/98/207140198.db2.gz	ZKAITRNSDOUTFQ-VIZOYTHASA-N	-2	3	371.260	3.252	40	30		FGEBHL
COc1cc(Br)cc(/C=N/c2ccc(C(=O)[O-])c(O)c2)c1[O-]	ZINC000002756604	493818146	/nfs/dbraw/zinc/81/81/46/493818146.db2.gz	KAPNFEXILQAEFZ-REZTVBANSA-N	-2	3	366.167	3.318	40	30		FGEBHL
O=S(=O)([N-]c1nccs1)c1ccc(/N=C\c2ccccc2[O-])cc1	ZINC000100457166	495065294	/nfs/dbraw/zinc/06/52/94/495065294.db2.gz	PKSKCTXKJQWASO-WQRHYEAKSA-N	-2	3	359.432	3.400	40	30		FGEBHL
O=S(=O)([N-]c1cccnc1)c1ccc(/N=C/c2ccccc2[O-])cc1	ZINC000020060618	263377609	/nfs/dbraw/zinc/37/76/09/263377609.db2.gz	SIUNGHNIDISYTE-UDWIEESQSA-N	-2	3	353.403	3.339	40	30		FGEBHL