smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000408908341	570071595	/nfs/dbraw/zinc/07/15/95/570071595.db2.gz	BUEQZBDMCQRPRE-RUDMXATFSA-N	-2	1	490.275	1.410	40	10		JDCBML
CN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)[O-])c(Br)c2)C(=O)[N-]C1=S	ZINC000408914919	570074801	/nfs/dbraw/zinc/07/48/01/570074801.db2.gz	RSCGIGJWHZRJBR-FARCUNLSSA-N	-2	1	478.118	1.932	40	10		JDCBML
C[C@H]1O[C@@H](c2ccc3c(c2[O-])C(=O)c2ccc(C[C@@](C)(O)CC(=O)[O-])c(O)c2C3=O)C[C@@H](O)[C@@H]1O	ZINC000014439436	555814553	/nfs/dbraw/zinc/81/45/53/555814553.db2.gz	LKLNNJGYAYDANM-VRSSYPSJSA-N	-2	1	486.473	1.213	40	10	biogenic,in-vitro	JDCBML
Cc1cccc(-n2c([O-])c(C=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)c(=O)[nH]c2=O)c1	ZINC000100925620	569776066	/nfs/dbraw/zinc/77/60/66/569776066.db2.gz	HACIQUIAIOHEQM-GDNBJRDFSA-N	-2	1	466.837	1.860	40	10		JDCBML
O=c1[n-]c(C=Cc2cc([N+](=O)[O-])c(N3CCOCC3)cc2N2CCOCC2)nc([O-])c1[N+](=O)[O-]	ZINC000408603275	569969862	/nfs/dbraw/zinc/96/98/62/569969862.db2.gz	FLMQGLCWXGAQMN-OWOJBTEDSA-N	-2	1	474.430	1.548	40	10		JDCBML
COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000408914943	570074916	/nfs/dbraw/zinc/07/49/16/570074916.db2.gz	SDPGTIFYKAOEBS-FPYGCLRLSA-N	-2	1	476.248	1.020	40	10		JDCBML