smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccccc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1	ZINC000000136164	257211435	/nfs/dbraw/zinc/21/14/35/257211435.db2.gz	CLYZFUXGMYSAGC-UHFFFAOYSA-N	-1	3	324.383	5.183	40	0		DKABHM
O=C(Nc1ccc(Cl)c(Cl)c1)Sc1ccc([O-])cc1	ZINC000001560657	568412198	/nfs/dbraw/zinc/41/21/98/568412198.db2.gz	FZNPDAMPJYRLMU-UHFFFAOYSA-N	-1	3	314.193	5.023	40	0		DKABHM
[O-]c1ccc2ccccc2c1Sc1ccc2ccccc2c1	ZINC000001651934	180884411	/nfs/dbraw/zinc/88/44/11/180884411.db2.gz	KHVFDMVQUMLJPQ-UHFFFAOYSA-N	-1	3	302.398	5.850	40	0		DKABHM
O=C(CCCCCc1ccccc1)c1ccc2ccccc2c1[O-]	ZINC000001661481	563289869	/nfs/dbraw/zinc/28/98/69/563289869.db2.gz	JKIIDDHAVAYIOJ-UHFFFAOYSA-N	-1	3	318.416	5.531	40	0		DKABHM
CC(C)(C)c1ccc([O-])c(Cc2cc(C(C)(C)C)ccc2O)c1	ZINC000001679635	563290351	/nfs/dbraw/zinc/29/03/51/563290351.db2.gz	RXAGDDKHRDAVLM-UHFFFAOYSA-N	-1	3	312.453	5.284	40	0		DKABHM
CC(C)c1cc2c(cc1[O-])[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O	ZINC000001711825	563866142	/nfs/dbraw/zinc/86/61/42/563866142.db2.gz	IPEHJNRNYPOFII-AZUAARDMSA-N	-1	3	300.442	5.186	40	0	endogenous,in-man	DKABHM
[O-]c1ccc(C2=Cc3ccccc3[C@@H](c3ccccc3)O2)cc1	ZINC000003847953	181049367	/nfs/dbraw/zinc/04/93/67/181049367.db2.gz	BKLRFTSMPICWKP-OAQYLSRUSA-N	-1	3	300.357	5.010	40	0		DKABHM
[O-]c1ccc(C2=Cc3ccccc3[C@H](c3ccccc3)O2)cc1	ZINC000003847954	181049400	/nfs/dbraw/zinc/04/94/00/181049400.db2.gz	BKLRFTSMPICWKP-NRFANRHFSA-N	-1	3	300.357	5.010	40	0		DKABHM
S=c1nc2ccccc2c(Nc2cccc3ccccc32)[n-]1	ZINC000003851497	181049933	/nfs/dbraw/zinc/04/99/33/181049933.db2.gz	OHINBLHJFOXSPQ-UHFFFAOYSA-N	-1	3	303.390	5.189	40	0		DKABHM
O=[P@@]1(Cc2ccccc2)C(c2ccccc2)=C([O-])[C@H]2CCC[C@H]21	ZINC000005340483	181231875	/nfs/dbraw/zinc/23/18/75/181231875.db2.gz	XKIFXNUSVOUXOU-YZZKKUAISA-N	-1	3	324.360	5.659	40	0		DKABHM
O=[P@]1(Cc2ccccc2)C(c2ccccc2)=C([O-])[C@H]2CCC[C@H]21	ZINC000005340485	181231616	/nfs/dbraw/zinc/23/16/16/181231616.db2.gz	XKIFXNUSVOUXOU-IXFSTUDKSA-N	-1	3	324.360	5.659	40	0		DKABHM
O=[P@@]1(Cc2ccccc2)C(c2ccccc2)=C([O-])[C@H]2CCC[C@@H]21	ZINC000005340486	181231846	/nfs/dbraw/zinc/23/18/46/181231846.db2.gz	XKIFXNUSVOUXOU-IUKKYPGJSA-N	-1	3	324.360	5.659	40	0		DKABHM
O=[P@]1(Cc2ccccc2)C(c2ccccc2)=C([O-])[C@H]2CCC[C@@H]21	ZINC000005340489	181231861	/nfs/dbraw/zinc/23/18/61/181231861.db2.gz	XKIFXNUSVOUXOU-BSRJHKFKSA-N	-1	3	324.360	5.659	40	0		DKABHM
CCCCCCC(=O)c1cc(CCCCCC)c([O-])cc1O	ZINC000005418471	181241658	/nfs/dbraw/zinc/24/16/58/181241658.db2.gz	GVLDORWDMYXBQY-UHFFFAOYSA-N	-1	3	306.446	5.374	40	0		DKABHM
CCCCCc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1	ZINC000005712462	181275630	/nfs/dbraw/zinc/27/56/30/181275630.db2.gz	GXIHXTPUAYERFV-UHFFFAOYSA-N	-1	3	317.816	5.031	40	0		DKABHM
CSc1ccccc1[N-]C(=O)c1cc2cc(Cl)ccc2o1	ZINC000019199580	563676828	/nfs/dbraw/zinc/67/68/28/563676828.db2.gz	XVGYYIKPXQXUBR-UHFFFAOYSA-N	-1	3	317.797	5.060	40	0		DKABHM
Cc1ccc(C(=O)Nc2cc(C(C)C)c([O-])c(Cl)c2C)cc1	ZINC000026787190	563426817	/nfs/dbraw/zinc/42/68/17/563426817.db2.gz	GEDPWWOKHZAJCV-UHFFFAOYSA-N	-1	3	317.816	5.038	40	0		DKABHM
Cc1ccc(C(=O)Nc2cc(C)c([O-])c(Cl)c2C(C)C)cc1	ZINC000026787219	563426630	/nfs/dbraw/zinc/42/66/30/563426630.db2.gz	DFEWKQLPUZYLHR-UHFFFAOYSA-N	-1	3	317.816	5.038	40	0		DKABHM
CC/C(=C(/CC)c1ccc(OC(C)=O)cc1)c1ccc([O-])cc1	ZINC000077291490	563816595	/nfs/dbraw/zinc/81/65/95/563816595.db2.gz	KRQVPGASQFBKSX-FMQUCBEESA-N	-1	3	310.393	5.048	40	0	in-vitro	DKABHM
Cc1cc(Nc2ccc(C(=O)[O-])cc2)c2cc(C(C)C)ccc2n1	ZINC000078401610	563513206	/nfs/dbraw/zinc/51/32/06/563513206.db2.gz	MQBGVCXRAKZHSM-UHFFFAOYSA-N	-1	3	320.392	5.108	40	0		DKABHM
Cc1cc(Nc2cccc(C(=O)[O-])c2)c2cc(C(C)C)ccc2n1	ZINC000078401612	563513096	/nfs/dbraw/zinc/51/30/96/563513096.db2.gz	FYPHVSIXXKCXEQ-UHFFFAOYSA-N	-1	3	320.392	5.108	40	0		DKABHM
Cc1cc(Nc2ccccc2C(=O)[O-])c2cc(C(C)C)ccc2n1	ZINC000078401614	563513159	/nfs/dbraw/zinc/51/31/59/563513159.db2.gz	XAMNQEDQIARYFF-UHFFFAOYSA-N	-1	3	320.392	5.108	40	0		DKABHM
C[C@H]1C([O-])=C(c2ccccc2)[P@@](=O)(Cc2ccccc2)[C@H]1C	ZINC000104183328	563562969	/nfs/dbraw/zinc/56/29/69/563562969.db2.gz	YNTCRAIMLNJEKF-ZCCHDVMBSA-N	-1	3	312.349	5.515	40	0		DKABHM
C[C@@H]1C([O-])=C(c2ccccc2)[P@@](=O)(Cc2ccccc2)[C@H]1C	ZINC000104183330	563562985	/nfs/dbraw/zinc/56/29/85/563562985.db2.gz	YNTCRAIMLNJEKF-AYSMAOOMSA-N	-1	3	312.349	5.515	40	0		DKABHM
C[C@@H]1[C@@H](C)C([O-])=C(c2ccccc2)[P@@]1(=O)Cc1ccccc1	ZINC000104183334	563562991	/nfs/dbraw/zinc/56/29/91/563562991.db2.gz	YNTCRAIMLNJEKF-DOQJBMMISA-N	-1	3	312.349	5.515	40	0		DKABHM
C[C@@H]1C([O-])=C(c2ccccc2)[P@@](=O)(Cc2ccccc2)[C@@H]1C	ZINC000104183336	563563035	/nfs/dbraw/zinc/56/30/35/563563035.db2.gz	YNTCRAIMLNJEKF-SMASLZHESA-N	-1	3	312.349	5.515	40	0		DKABHM