smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccccc1C1=Nc2ccccc2N=C(c2ccc(F)cc2)C1	ZINC000004122082	210126797	/nfs/dbraw/zinc/12/67/97/210126797.db2.gz	AGJRUAINHNBCBE-UHFFFAOYSA-N	-1	1	330.362	5.177	1	0		EKAFMM
CC(C)=CCc1c([O-])c(CC=C(C)C)c(O)c(C(=O)CC(C)C)c1O	ZINC000013435727	291015068	/nfs/dbraw/zinc/01/50/68/291015068.db2.gz	NQYBQBZOHCACCR-UHFFFAOYSA-N	-1	1	346.467	5.050	1	0	endogenous,in-man	EKAFMM
O=C1c2ccc([O-])cc2CC[C@H]1Cc1ccc(-c2ccccc2)cc1	ZINC000013675290	201908028	/nfs/dbraw/zinc/90/80/28/201908028.db2.gz	WSDRZGNMHVUJFX-FQEVSTJZSA-N	-1	1	328.411	5.047	1	0		EKAFMM
CCCCCCC(=O)c1ccc([O-])c(-c2nc3ccc(C)cc3[nH]2)c1	ZINC000026185113	202140626	/nfs/dbraw/zinc/14/06/26/202140626.db2.gz	NRMHXHGWMUBVRJ-UHFFFAOYSA-N	-1	1	336.435	5.397	1	0		EKAFMM
O=C(c1ccccc1)c1cc(Cc2ccccc2)c([O-])c2ccccc12	ZINC000027197046	202152818	/nfs/dbraw/zinc/15/28/18/202152818.db2.gz	ZUFIYCWBWHBUBX-UHFFFAOYSA-N	-1	1	338.406	5.367	1	0		EKAFMM
CC[C@@H](c1ccccc1)c1c([O-])c2c(oc1=O)[C@H](C)CCCCCC2	ZINC000027517953	202156201	/nfs/dbraw/zinc/15/62/01/202156201.db2.gz	URKLLKTVBBRRMX-WBVHZDCISA-N	-1	1	340.463	5.497	1	0		EKAFMM
CC[C@H](c1ccccc1)c1c([O-])c2c(oc1=O)[C@H](C)CCCCCC2	ZINC000027517954	202155932	/nfs/dbraw/zinc/15/59/32/202155932.db2.gz	URKLLKTVBBRRMX-NVXWUHKLSA-N	-1	1	340.463	5.497	1	0		EKAFMM
CC[C@@H](c1ccccc1)c1c([O-])c2c(oc1=O)[C@@H](C)CCCCCC2	ZINC000027517955	202156049	/nfs/dbraw/zinc/15/60/49/202156049.db2.gz	URKLLKTVBBRRMX-RDJZCZTQSA-N	-1	1	340.463	5.497	1	0		EKAFMM
CC[C@H](c1ccccc1)c1c([O-])c2c(oc1=O)[C@@H](C)CCCCCC2	ZINC000027517956	202156721	/nfs/dbraw/zinc/15/67/21/202156721.db2.gz	URKLLKTVBBRRMX-DOTOQJQBSA-N	-1	1	340.463	5.497	1	0		EKAFMM
O=C1[N-]C(=S)SC1=Cc1cccc(Oc2ccc(Cl)cc2)c1	ZINC000028703291	202175975	/nfs/dbraw/zinc/17/59/75/202175975.db2.gz	IYDYEBIGANNFTO-NTEUORMPSA-N	-1	1	347.848	5.461	1	0		EKAFMM
CC(C)=CCC/C(C)=C/CC/C(C)=C/CCCC[P@](=O)([O-])O	ZINC000029552520	202189049	/nfs/dbraw/zinc/18/90/49/202189049.db2.gz	AEYSUBKSILBNEA-CBXDKUCNSA-N	-1	1	328.433	5.754	1	0		EKAFMM
[O-]c1ccc(-c2ccc(-c3cccc(O)c3)s2)cc1C(F)(F)F	ZINC000045291408	213720702	/nfs/dbraw/zinc/72/07/02/213720702.db2.gz	KUUIZFJDYGAKEI-UHFFFAOYSA-N	-1	1	336.334	5.512	1	0		EKAFMM
CCCc1cc(Cl)c([O-])c(-c2cc(CCC)cc(Cl)c2O)c1	ZINC000073296041	216373808	/nfs/dbraw/zinc/37/38/08/216373808.db2.gz	MCLLKFNUWFKZFX-UHFFFAOYSA-N	-1	1	339.262	5.977	1	0		EKAFMM
CCCc1ccc(O)c(-c2cc(CCC)cc(Br)c2[O-])c1	ZINC000073297623	216373673	/nfs/dbraw/zinc/37/36/73/216373673.db2.gz	VNIUZICVAUHSBH-UHFFFAOYSA-N	-1	1	349.268	5.432	1	0		EKAFMM