smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2oc(-c3ccc([O-])c(O)c3)c(OC)c(=O)c2c(OC)c1OC	ZINC000040405395	205069711	/nfs/dbraw/zinc/06/97/11/205069711.db2.gz	GILGMPPUIZRTIR-UHFFFAOYSA-N	-1	3	374.345	2.906	1	10		FFCFHM
O=C(c1nc2cc([O-])c(O)cc2[nH]1)N1CCC(Oc2ccc(F)cc2)CC1	ZINC000036294491	205008857	/nfs/dbraw/zinc/00/88/57/205008857.db2.gz	UXXCDCCXBFKDNG-UHFFFAOYSA-N	-1	3	371.368	2.797	1	10		FFCFHM
O=C(c1nc2cc(O)c([O-])cc2[nH]1)N1CCC(Oc2ccc(F)cc2)CC1	ZINC000036294491	205008860	/nfs/dbraw/zinc/00/88/60/205008860.db2.gz	UXXCDCCXBFKDNG-UHFFFAOYSA-N	-1	3	371.368	2.797	1	10		FFCFHM
O=C1c2ccc([O-])c(O)c2C(=O)N1Cc1c(F)c(F)c(F)c(F)c1F	ZINC000043075097	205099487	/nfs/dbraw/zinc/09/94/87/205099487.db2.gz	MARLTZRHLVAOFM-UHFFFAOYSA-N	-1	3	359.206	2.590	1	10		FFCFHM
O=C1c2ccc([O-])c(O)c2C(=O)N1Cc1ccc(F)c(Br)c1	ZINC000043077144	208300457	/nfs/dbraw/zinc/30/04/57/208300457.db2.gz	BHKHSUNLTOLTSK-UHFFFAOYSA-N	-1	3	366.142	2.796	1	10		FFCFHM
NC(=O)N[C@H]1CCCOc2cc3c(c([O-])c21)C(=O)C[C@@H](c1ccccc1)O3	ZINC000013385548	291064275	/nfs/dbraw/zinc/06/42/75/291064275.db2.gz	GGHPIOMRAOLYGI-JSGCOSHPSA-N	-1	3	368.389	2.981	1	10	biogenic,in-vitro	FFCFHM
CCOC(=O)CCCn1cc(Br)c2cc([O-])c(O)cc2c1=O	ZINC000013800919	211060150	/nfs/dbraw/zinc/06/01/50/211060150.db2.gz	QJWJIDZOQONWRO-UHFFFAOYSA-N	-1	3	370.199	2.519	1	10		FFCFHM
CCCOc1ccc(N(C)C)cc1-c1nc2c(c(C)nn2CC)c(=O)[n-]1	ZINC000013755576	211058524	/nfs/dbraw/zinc/05/85/24/211058524.db2.gz	ALYKWZQKEAKZMJ-UHFFFAOYSA-N	-1	3	355.442	2.970	1	10		FFCFHM
COc1cc(OC)c2c(=O)c(OC)c(-c3ccc([O-])c(O)c3)oc2c1OC	ZINC000040918286	211764778	/nfs/dbraw/zinc/76/47/78/211764778.db2.gz	LKKLVMXAJXQJNO-UHFFFAOYSA-N	-1	3	374.345	2.906	1	10		FFCFHM
COc1cc2oc(-c3ccc([O-])c(O)c3)c(OC)c(=O)c2c(OC)c1O	ZINC000014436902	220124557	/nfs/dbraw/zinc/12/45/57/220124557.db2.gz	GQZQQAWVTXTUJX-UHFFFAOYSA-N	-1	3	360.318	2.603	1	10		FFCFHM
COc1ccc(-c2cc([O-])c3c(=O)c(O)c(OC)c(OC)c-3o2)cc1OC	ZINC000014437306	571705704	/nfs/dbraw/zinc/70/57/04/571705704.db2.gz	AREVFHPDZQHBHI-UHFFFAOYSA-N	-1	3	374.345	2.906	1	10	endogenous,in-man	FFCFHM
COc1ccc(-c2cc(=O)c3c([O-])c(O)c(OC)c(OC)c3o2)cc1OC	ZINC000014437306	571705708	/nfs/dbraw/zinc/70/57/08/571705708.db2.gz	AREVFHPDZQHBHI-UHFFFAOYSA-N	-1	3	374.345	2.906	1	10	endogenous,in-man	FFCFHM
CCCc1c(C)c(=O)[n-]c2c1C(=O)c1c(CCC)c(C)c(=O)[nH]c1C2=O	ZINC000017192538	220209897	/nfs/dbraw/zinc/20/98/97/220209897.db2.gz	WZZGVUSWZMBPPL-UHFFFAOYSA-N	-1	3	354.406	2.773	1	10	in-vitro	FFCFHM
COc1c(O)cccc1-c1coc2c(OC)c(OC)c(O)c(=O)c-2c1[O-]	ZINC000095486255	291061298	/nfs/dbraw/zinc/06/12/98/291061298.db2.gz	XHVDAXKBRMJMAY-UHFFFAOYSA-N	-1	3	360.318	2.603	1	10	biogenic,in-vitro	FFCFHM
COc1c(O)cccc1-c1coc2c(OC)c(OC)c(O)c([O-])c2c1=O	ZINC000095486255	291061300	/nfs/dbraw/zinc/06/13/00/291061300.db2.gz	XHVDAXKBRMJMAY-UHFFFAOYSA-N	-1	3	360.318	2.603	1	10	biogenic,in-vitro	FFCFHM