smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(F)cc2)ccc1Cl	ZINC000008715739	557801252	/nfs/dbraw/zinc/80/12/52/557801252.db2.gz	RFERSWYZIZEOCQ-OAQYLSRUSA-N	-1	1	421.855	5.570	10	30		HKEEMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)ccc1Cl	ZINC000008715739	557801253	/nfs/dbraw/zinc/80/12/53/557801253.db2.gz	RFERSWYZIZEOCQ-OAQYLSRUSA-N	-1	1	421.855	5.570	10	30		HKEEMM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(F)cc2)ccc1Cl	ZINC000008715744	557801367	/nfs/dbraw/zinc/80/13/67/557801367.db2.gz	RFERSWYZIZEOCQ-NRFANRHFSA-N	-1	1	421.855	5.570	10	30		HKEEMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)ccc1Cl	ZINC000008715744	557801370	/nfs/dbraw/zinc/80/13/70/557801370.db2.gz	RFERSWYZIZEOCQ-NRFANRHFSA-N	-1	1	421.855	5.570	10	30		HKEEMM
C=CC(C)(C)c1c(OC)cc(O)c2c(=O)c3c(cc([O-])c(O)c3CC=C(C)C)oc21	ZINC000013411981	291283071	/nfs/dbraw/zinc/28/30/71/291283071.db2.gz	UIIGEZZURHDEDK-UHFFFAOYSA-N	-1	1	410.466	5.044	10	30	biogenic,in-vivo	HKEEMM
COc1cc(C=Nn2c(C)n[n-]c2=S)ccc1OCc1c(Cl)cccc1Cl	ZINC000033283725	522010604	/nfs/dbraw/zinc/01/06/04/522010604.db2.gz	UJSBBUHCFSIYBT-NKVSQWTQSA-N	-1	1	423.325	5.026	10	30		HKEEMM
COc1cc(C=Nn2c(C)n[n-]c2=S)ccc1OCc1ccc(Cl)cc1Cl	ZINC000033343417	522011543	/nfs/dbraw/zinc/01/15/43/522011543.db2.gz	YSTPGDFRTUEONT-NKVSQWTQSA-N	-1	1	423.325	5.026	10	30		HKEEMM
CCOc1cc(/C=C\C(=O)c2ccc([O-])cc2)ccc1OCc1ccccc1Cl	ZINC000033414276	520636930	/nfs/dbraw/zinc/63/69/30/520636930.db2.gz	SHQNMRFFPKWQOY-QPEQYQDCSA-N	-1	1	408.881	5.919	10	30		HKEEMM
CC(C)=CC[C@H]1C(=O)C(=C([O-])CC(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O	ZINC000100772688	571816373	/nfs/dbraw/zinc/81/63/73/571816373.db2.gz	WYJNATSMJAUNMZ-FQEVSTJZSA-N	-1	1	414.586	6.237	10	30	endogenous,in-man	HKEEMM
CC(C)=CC[C@@H]1C(=O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C1[O-]	ZINC000100772688	571816375	/nfs/dbraw/zinc/81/63/75/571816375.db2.gz	WYJNATSMJAUNMZ-FQEVSTJZSA-N	-1	1	414.586	6.237	10	30	endogenous,in-man	HKEEMM
CC(C)=CC[C@@H]1C(=O)C(=C([O-])CC(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O	ZINC000100772689	571816346	/nfs/dbraw/zinc/81/63/46/571816346.db2.gz	WYJNATSMJAUNMZ-HXUWFJFHSA-N	-1	1	414.586	6.237	10	30	endogenous,in-man	HKEEMM
CC(C)=CC[C@H]1C(=O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C1[O-]	ZINC000100772689	571816350	/nfs/dbraw/zinc/81/63/50/571816350.db2.gz	WYJNATSMJAUNMZ-HXUWFJFHSA-N	-1	1	414.586	6.237	10	30	endogenous,in-man	HKEEMM