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-])[C@H](Cc1ccccc1)NC=C1C(=O)[N-]C(=S)NC1=O	ZINC001602655562	1018036449	/nfs/dbraw/zinc/03/64/49/1018036449.db2.gz	DWRFXDFEBLHAMA-JTQLQIEISA-N	-2	1	319.342	-0.313	20	10		DBCDML
O=C([O-])[C@@H](Cc1ccccc1)NC=C1C(=O)[N-]C(=S)NC1=O	ZINC001602655563	1018035993	/nfs/dbraw/zinc/03/59/93/1018035993.db2.gz	DWRFXDFEBLHAMA-SNVBAGLBSA-N	-2	1	319.342	-0.313	20	10		DBCDML
C[C@H](NC(=O)[C@H](C)NC(=O)c1c([O-])c(O)ccc1F)C(=O)[O-]	ZINC001607458216	1019014834	/nfs/dbraw/zinc/01/48/34/1019014834.db2.gz	DKBPKBGQDTZPOW-WDSKDSINSA-N	-2	1	314.269	-0.056	20	10		DBCDML
O=C(NCS(=O)(=O)[O-])c1cc2cc(O)c([O-])cc2oc1=O	ZINC001155234030	831923426	/nfs/dbraw/zinc/92/34/26/831923426.db2.gz	IZNHBDWSLYMADG-UHFFFAOYSA-N	-2	1	315.259	-0.221	20	10		DBCDML
O=C(N[C@@H]1CO[N-]C1=O)c1cc2cc(O)c([O-])cc2oc1=O	ZINC001155233002	831923446	/nfs/dbraw/zinc/92/34/46/831923446.db2.gz	YTUDJTUXJKTYEV-SSDOTTSWSA-N	-2	1	306.230	-0.636	20	10		DBCDML
O=C(Cn1nn[n-]c1=S)NCC(=O)c1ccc([O-])c(O)c1	ZINC001177741947	833480944	/nfs/dbraw/zinc/48/09/44/833480944.db2.gz	AYCALAMQBAYCSS-UHFFFAOYSA-N	-2	1	309.307	-0.628	20	10		DBCDML