smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-n2[n-]c(C)c(C=Nc3cccc(C(=O)[O-])c3)c2=O)cc1	ZINC000016160820	494380861	/nfs/dbraw/zinc/38/08/61/494380861.db2.gz	YGBLGHPLTGTECW-BOPFTXTBSA-N	-2	1	351.362	3.112	40	10		FGCBML
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc([O-])c(Cl)c2)C1=O	ZINC000006479393	263345326	/nfs/dbraw/zinc/34/53/26/263345326.db2.gz	MDZJRJZGQIHSMV-XYOKQWHBSA-N	-2	1	356.765	3.020	40	10		FGCBML
O=C([O-])c1cc(/C=C2\SC(=S)[N-]C2=O)ccc1OCc1ccccc1	ZINC000408532375	499591580	/nfs/dbraw/zinc/59/15/80/499591580.db2.gz	UQFNEJSUYLHFAJ-DHDCSXOGSA-N	-2	1	371.439	3.453	40	10		FGCBML
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000408820533	499595265	/nfs/dbraw/zinc/59/52/65/499595265.db2.gz	YISXSSUKQWOKJM-NVNXTCNLSA-N	-2	1	356.403	3.425	40	10		FGCBML
O=C([O-])c1ccc(COc2cccc(/C=C3\SC(=S)[N-]C3=O)c2)cc1	ZINC000408530467	499591703	/nfs/dbraw/zinc/59/17/03/499591703.db2.gz	LXJWPUADZJNNOW-DHDCSXOGSA-N	-2	1	371.439	3.453	40	10		FGCBML
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c(Cl)c3)C2=O)cc1C	ZINC000408785996	499594879	/nfs/dbraw/zinc/59/48/79/499594879.db2.gz	DJTGPONPKXTWSI-RIYZIHGNSA-N	-2	1	370.792	3.329	40	10		FGCBML
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000005571088	493935292	/nfs/dbraw/zinc/93/52/92/493935292.db2.gz	MOUCTFQOWSJBKV-NVNXTCNLSA-N	-2	1	356.403	3.425	40	10		FGCBML
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c(Cl)c3)C2=O)cc1	ZINC000408778899	499594912	/nfs/dbraw/zinc/59/49/12/499594912.db2.gz	ZJVJDRJTNURWQS-NTEUORMPSA-N	-2	1	370.792	3.274	40	10		FGCBML
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409002206	570711025	/nfs/dbraw/zinc/71/10/25/570711025.db2.gz	ZAPGVKIHTXEPCX-ZSOIEALJSA-N	-2	1	358.444	3.281	40	10		FGCBML
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c(Cl)c3)C2=O)c1	ZINC000408786620	499594731	/nfs/dbraw/zinc/59/47/31/499594731.db2.gz	SXLPCQLGZQYHMA-RIYZIHGNSA-N	-2	1	370.792	3.329	40	10		FGCBML
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000408994808	499595545	/nfs/dbraw/zinc/59/55/45/499595545.db2.gz	JKCONQREJJZXII-ZSOIEALJSA-N	-2	1	358.444	3.281	40	10		FGCBML
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c(Cl)c3)C2=O)c1C	ZINC000408785426	499594905	/nfs/dbraw/zinc/59/49/05/499594905.db2.gz	YVSQZWBQUCYKNW-MDWZMJQESA-N	-2	1	370.792	3.329	40	10		FGCBML
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1	ZINC000004976929	493904992	/nfs/dbraw/zinc/90/49/92/493904992.db2.gz	WQFOKEUAYINDNF-UHFFFAOYSA-N	-2	1	363.178	3.408	40	10		FGCBML
O=C([O-])c1ccc(COc2ccc(/C=C3\SC(=S)[N-]C3=O)cc2)cc1	ZINC000408529975	499591449	/nfs/dbraw/zinc/59/14/49/499591449.db2.gz	JVJWYLVTVWLTSE-DHDCSXOGSA-N	-2	1	371.439	3.453	40	10		FGCBML
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000408995495	499595473	/nfs/dbraw/zinc/59/54/73/499595473.db2.gz	AOPASUTXEABQIZ-ZSOIEALJSA-N	-2	1	358.444	3.281	40	10		FGCBML