smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccccc1Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	ZINC000001884553	210373383	/nfs/dbraw/zinc/37/33/83/210373383.db2.gz	QMVZPHXBSXJWRB-UHFFFAOYSA-N	-1	3	358.435	6.452	10	0		FKAEHM
Cc1cc(NC2CCCCCCCCCCC2)c2ccc(C(=O)[O-])cc2n1	ZINC000004226545	204127394	/nfs/dbraw/zinc/12/73/94/204127394.db2.gz	WWGJZDRQPGAXGW-UHFFFAOYSA-N	-1	3	368.521	6.327	10	0		FKAEHM
Cc1cc(NC2CCCCCCCCCCC2)c2cccc(C(=O)[O-])c2n1	ZINC000004226601	204127423	/nfs/dbraw/zinc/12/74/23/204127423.db2.gz	SMLMWMSJIUOMDA-UHFFFAOYSA-N	-1	3	368.521	6.327	10	0		FKAEHM
[O-]c1ccc(/C(=C(/Br)c2ccccc2)c2ccccc2)cc1	ZINC000006095542	207129150	/nfs/dbraw/zinc/12/91/50/207129150.db2.gz	XUBABWJOIJRXNS-FMQUCBEESA-N	-1	3	351.243	5.704	10	0	in-vitro	FKAEHM
O=C([N-]c1c2ccccc2oc1C(=O)c1cccs1)c1cccs1	ZINC000006752151	204266843	/nfs/dbraw/zinc/26/68/43/204266843.db2.gz	ZPHCPBYZRZEMNZ-UHFFFAOYSA-N	-1	3	353.424	5.039	10	0		FKAEHM
O=c1[nH]c(C(Cl)=Cc2cc(Cl)ccc2[O-])nc2cc(Cl)ccc12	ZINC000008693829	207241187	/nfs/dbraw/zinc/24/11/87/207241187.db2.gz	FDEKBBCTVHRYLB-SDQBBNPISA-N	-1	3	367.619	5.085	10	0		FKAEHM
CCCc1c(-c2ccc(F)cc2[O-])c([C@H](C)O)c(C(C)C)nc1C(C)C	ZINC000013860562	571323138	/nfs/dbraw/zinc/32/31/38/571323138.db2.gz	WPUCRISSEKWRQP-AWEZNQCLSA-N	-1	3	359.485	5.846	10	0		FKAEHM
COc1cc2[nH]c3c(ccc([O-])c3C/C=C(\C)CCC=C(C)C)c2cc1C	ZINC000015206004	206313936	/nfs/dbraw/zinc/31/39/36/206313936.db2.gz	RTEIBQDXHHQYRJ-CXUHLZMHSA-N	-1	3	363.501	6.579	10	0	endogenous,in-man	FKAEHM
COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2cc3ccccc3o2)c([O-])c1	ZINC000018209073	220227761	/nfs/dbraw/zinc/22/77/61/220227761.db2.gz	LWKCIPORVGAZTO-UHFFFAOYSA-N	-1	3	374.318	5.223	10	0		FKAEHM
CCC(CC)c1nnc([N-]C(=O)c2ccc(-c3ccccc3F)o2)s1	ZINC000032502359	206754915	/nfs/dbraw/zinc/75/49/15/206754915.db2.gz	XJOAGFBRUFLHKB-UHFFFAOYSA-N	-1	3	359.426	5.093	10	0		FKAEHM
Cc1ccccc1-n1c(COc2ccc(-c3ccccc3)cc2)n[n-]c1=S	ZINC000033857940	210246567	/nfs/dbraw/zinc/24/65/67/210246567.db2.gz	IEJWHJMHMBJJBJ-UHFFFAOYSA-N	-1	3	373.481	5.110	10	0		FKAEHM
O=C([O-])[C@H](c1ccccc1)[C@H](NCc1ccccc1)c1ccc(Cl)cc1	ZINC000053995115	221048951	/nfs/dbraw/zinc/04/89/51/221048951.db2.gz	MDSVSJKJAFJCIT-NHCUHLMSSA-N	-1	3	365.860	5.039	10	0		FKAEHM
O=C([O-])[C@@H](c1ccccc1)[C@@H](NCc1ccccc1)c1ccc(Cl)cc1	ZINC000053995116	205197413	/nfs/dbraw/zinc/19/74/13/205197413.db2.gz	MDSVSJKJAFJCIT-SFTDATJTSA-N	-1	3	365.860	5.039	10	0		FKAEHM
O=C([O-])[C@@H](c1ccccc1)[C@H](NCc1ccccc1)c1ccc(Cl)cc1	ZINC000053995117	208451409	/nfs/dbraw/zinc/45/14/09/208451409.db2.gz	MDSVSJKJAFJCIT-LEWJYISDSA-N	-1	3	365.860	5.039	10	0		FKAEHM
[O-]c1cc(Br)cc(-c2ccccc2OCc2ccccc2)c1	ZINC000065343963	205338806	/nfs/dbraw/zinc/33/88/06/205338806.db2.gz	RVJNAWZREPGEES-UHFFFAOYSA-N	-1	3	355.231	5.401	10	0		FKAEHM
[O-]c1cc(Br)cc(-c2cccc(OCc3ccccc3)c2)c1	ZINC000065343964	221201006	/nfs/dbraw/zinc/20/10/06/221201006.db2.gz	PXSISBRLWXVZQX-UHFFFAOYSA-N	-1	3	355.231	5.401	10	0		FKAEHM
O=C1[N-]C(=O)C(=Cc2ccc(OCCC3CCCCC3)c(Cl)c2)S1	ZINC000077285616	571320915	/nfs/dbraw/zinc/32/09/15/571320915.db2.gz	DBBGLVJTGXKCHY-LFIBNONCSA-N	-1	3	365.882	5.013	10	0	in-vitro	FKAEHM
O=C(Nc1ccccc1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1	ZINC000118416140	209347967	/nfs/dbraw/zinc/34/79/67/209347967.db2.gz	HKRMPJVDMMMYOC-UHFFFAOYSA-N	-1	3	361.426	5.313	10	0		FKAEHM
Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1[O-]	ZINC000226242572	209365849	/nfs/dbraw/zinc/36/58/49/209365849.db2.gz	BKAOEHQGWNYOSA-UHFFFAOYSA-N	-1	3	362.267	5.013	10	0		FKAEHM