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([N-]n1c(=O)c2ccccc2nc1-c1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000001635927	203916176	/nfs/dbraw/zinc/91/61/76/203916176.db2.gz	NYEGPZCFMPCJMW-UHFFFAOYSA-N	-1	3	386.367	3.356	1	5		GGBFHM
COc1cc2c(c3oc4c(OC)c(OC)cc(=O)c-4c([O-])c13)[C@@H]1C=CO[C@@H]1O2	ZINC000014715702	571721556	/nfs/dbraw/zinc/72/15/56/571721556.db2.gz	RSPJLZQIZABVSE-FFVOIRBGSA-N	-1	3	384.340	3.024	1	5	endogenous,in-man	GGBFHM
COc1cc2c(c3oc4c(OC)c(OC)cc([O-])c4c(=O)c13)[C@@H]1C=CO[C@@H]1O2	ZINC000014715702	571721559	/nfs/dbraw/zinc/72/15/59/571721559.db2.gz	RSPJLZQIZABVSE-FFVOIRBGSA-N	-1	3	384.340	3.024	1	5	endogenous,in-man	GGBFHM
O=C1[N-]C(=O)c2c1c1c3ccccc3[nH]c1c1c2c2cccc3c2n1C[C@@H](CO)C3	ZINC000014945597	210130481	/nfs/dbraw/zinc/13/04/81/210130481.db2.gz	WIDVEFIISQZZDC-NSHDSACASA-N	-1	3	395.418	3.477	1	5		GGBFHM
Cn1ccc2ccc3c4[nH]c5c(cccc5CCO)c4c4c(c3c21)C(=O)[N-]C4=O	ZINC000013535009	210065287	/nfs/dbraw/zinc/06/52/87/210065287.db2.gz	YTULSWGTQZHYAW-UHFFFAOYSA-N	-1	3	383.407	3.384	1	5		GGBFHM
COc1cc2c(c3oc4c(OC)c(OC)cc(=O)c-4c([O-])c13)[C@H]1C=CO[C@H]1O2	ZINC000014715696	571721437	/nfs/dbraw/zinc/72/14/37/571721437.db2.gz	RSPJLZQIZABVSE-SQFXPLBJSA-N	-1	3	384.340	3.024	1	5	endogenous,in-man	GGBFHM
COc1cc2c(c3oc4c(OC)c(OC)cc([O-])c4c(=O)c13)[C@H]1C=CO[C@H]1O2	ZINC000014715696	571721440	/nfs/dbraw/zinc/72/14/40/571721440.db2.gz	RSPJLZQIZABVSE-SQFXPLBJSA-N	-1	3	384.340	3.024	1	5	endogenous,in-man	GGBFHM
COc1cc2c(c3oc4c(OC)c(OC)cc(=O)c-4c([O-])c13)[C@H]1C=CO[C@@H]1O2	ZINC000014715698	571721601	/nfs/dbraw/zinc/72/16/01/571721601.db2.gz	RSPJLZQIZABVSE-ZPWHCFADSA-N	-1	3	384.340	3.024	1	5	endogenous,in-man	GGBFHM
COc1cc2c(c3oc4c(OC)c(OC)cc([O-])c4c(=O)c13)[C@H]1C=CO[C@@H]1O2	ZINC000014715698	571721603	/nfs/dbraw/zinc/72/16/03/571721603.db2.gz	RSPJLZQIZABVSE-ZPWHCFADSA-N	-1	3	384.340	3.024	1	5	endogenous,in-man	GGBFHM
COc1ccc(S(=O)(=O)[N-]c2ccc3nc4cc[nH]cc-4c3c2)cc1[N+](=O)[O-]	ZINC000064548883	222074114	/nfs/dbraw/zinc/07/41/14/222074114.db2.gz	LJATVBGWIKATEM-UHFFFAOYSA-N	-1	3	398.400	3.434	1	5		GGBFHM
COc1cc2c(c3oc4c(OC)c(OC)cc(=O)c-4c([O-])c13)[C@@H]1C=CO[C@H]1O2	ZINC000014715700	571721540	/nfs/dbraw/zinc/72/15/40/571721540.db2.gz	RSPJLZQIZABVSE-FHZGZLOMSA-N	-1	3	384.340	3.024	1	5	endogenous,in-man	GGBFHM
COc1cc2c(c3oc4c(OC)c(OC)cc([O-])c4c(=O)c13)[C@@H]1C=CO[C@H]1O2	ZINC000014715700	571721543	/nfs/dbraw/zinc/72/15/43/571721543.db2.gz	RSPJLZQIZABVSE-FHZGZLOMSA-N	-1	3	384.340	3.024	1	5	endogenous,in-man	GGBFHM
Nn1c2ccc(F)cc2c2c3c(c4c5cc(F)ccc5[nH]c4c21)C(=O)[N-]C3=O	ZINC000029390724	207360773	/nfs/dbraw/zinc/36/07/73/207360773.db2.gz	AHIXUMLEIKRMJO-UHFFFAOYSA-N	-1	3	376.322	3.305	1	5		GGBFHM
O=C1[N-]C(=O)c2c1c1c3ccccc3[nH]c1c1c2c2cccc3c2n1C[C@H](CO)C3	ZINC000014945596	210130958	/nfs/dbraw/zinc/13/09/58/210130958.db2.gz	WIDVEFIISQZZDC-LLVKDONJSA-N	-1	3	395.418	3.477	1	5		GGBFHM
O=C(Cc1ccc([N+](=O)[O-])cc1)C1c2cccc([O-])c2C(=O)c2c(O)cccc21	ZINC000013732214	210085692	/nfs/dbraw/zinc/08/56/92/210085692.db2.gz	FTMIEKKGADRIGC-UHFFFAOYSA-N	-1	3	389.363	3.494	1	5		GGBFHM