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([O-])c1ccccc1C(=O)c1ccc2ccc3cccc4ccc1c2c34	ZINC000000431782	219304713	/nfs/dbraw/zinc/30/47/13/219304713.db2.gz	ZHLRVLFGKHXZQH-UHFFFAOYSA-N	-1	0	350.373	5.513	50	5		FKBARM
O=C([O-])c1cc(-c2ccc3ccccc3n2)nc2ccc3ccccc3c21	ZINC000000494051	210249882	/nfs/dbraw/zinc/24/98/82/210249882.db2.gz	XATJBJBVCNFNDV-UHFFFAOYSA-N	-1	0	350.377	5.301	50	5		FKBARM
CCOc1cc(-c2cc(C(=O)[O-])c3c(ccc4ccccc43)n2)ccc1OC	ZINC000000678008	210261832	/nfs/dbraw/zinc/26/18/32/210261832.db2.gz	ZDUGMWKHCCALDW-UHFFFAOYSA-N	-1	0	373.408	5.161	50	5		FKBARM
CC(C)Oc1ccccc1-c1cc(C(=O)[O-])c2c(ccc3ccccc32)n1	ZINC000000680569	570448627	/nfs/dbraw/zinc/44/86/27/570448627.db2.gz	QVILPYHESIBNGW-UHFFFAOYSA-N	-1	0	357.409	5.540	50	5		FKBARM
O=[N+]([O-])c1ccc([O-])c(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1	ZINC000000845967	568657909	/nfs/dbraw/zinc/65/79/09/568657909.db2.gz	IGNUHLTVZXYZIG-UHFFFAOYSA-N	-1	0	357.369	5.025	50	5		FKBARM
O=C([O-])c1cc(-c2c[nH]nc2-c2ccccc2)nc2ccc3ccccc3c21	ZINC000001066554	571069331	/nfs/dbraw/zinc/06/93/31/571069331.db2.gz	FCEHJUUFYHMNLR-UHFFFAOYSA-N	-1	0	365.392	5.143	50	5		FKBARM
O=[N+]([O-])c1ccc([O-])c(-c2nc(-c3cccs3)c(-c3cccs3)[nH]2)c1	ZINC000001156676	571148415	/nfs/dbraw/zinc/14/84/15/571148415.db2.gz	ADPUVVDJMCNLDC-UHFFFAOYSA-N	-1	0	369.427	5.148	50	5		FKBARM
CC(C)(C)c1ccc(-c2cc(C(=O)[O-])c3c(ccc4ccccc43)n2)cc1	ZINC000002189309	571283194	/nfs/dbraw/zinc/28/31/94/571283194.db2.gz	BRUZRTVSHUBISK-UHFFFAOYSA-N	-1	0	355.437	6.051	50	5		FKBARM
O=C([O-])CCCCCCCCCc1ccc2ccc3cccc4ccc1c2c34	ZINC000002516257	206919679	/nfs/dbraw/zinc/91/96/79/206919679.db2.gz	PIMKEUIWMFJVNB-UHFFFAOYSA-N	-1	0	372.508	7.332	50	5		FKBARM
Cc1ccccc1-c1c(=O)c2ccc([O-])cc2oc1-c1ccc([N+](=O)[O-])cc1	ZINC000002576212	570525772	/nfs/dbraw/zinc/52/57/72/570525772.db2.gz	MBKDFFZSXMJGAI-UHFFFAOYSA-N	-1	0	373.364	5.049	50	5		FKBARM
O=c1c2cc3ccccc3cc2[n-]c(=S)n1CCc1ccccc1Cl	ZINC000002974089	571343099	/nfs/dbraw/zinc/34/30/99/571343099.db2.gz	CMSZSBAKIPBFIG-UHFFFAOYSA-N	-1	0	366.873	5.108	50	5		FKBARM
O=C([O-])c1ccccc1Sc1ccccc1-c1ccccc1[N+](=O)[O-]	ZINC000004342991	570749093	/nfs/dbraw/zinc/74/90/93/570749093.db2.gz	IVXIHUHIWRBRAP-UHFFFAOYSA-N	-1	0	351.383	5.111	50	5		FKBARM
O=c1c2ccc3oc4ccccc4c4ccc(c([O-])c1-c1ccccc1)c2c34	ZINC000004577672	207028828	/nfs/dbraw/zinc/02/88/28/207028828.db2.gz	FNDLHGVNELJUOG-UHFFFAOYSA-N	-1	0	362.384	6.063	50	5		FKBARM
CCCCc1ccc(NC(=O)c2cc3ccccc3cc2[O-])c([N+](=O)[O-])c1	ZINC000004603731	204150761	/nfs/dbraw/zinc/15/07/61/204150761.db2.gz	NOUUKKFMJGUMLW-UHFFFAOYSA-N	-1	0	364.401	5.049	50	5		FKBARM
Cc1ccc(-c2[nH]c(-c3cc([N+](=O)[O-])ccc3[O-])nc2-c2ccccc2)cc1	ZINC000004844941	204169775	/nfs/dbraw/zinc/16/97/75/204169775.db2.gz	YKTXBJONEAZSKZ-UHFFFAOYSA-N	-1	0	371.396	5.333	50	5		FKBARM
O=C(Nc1ccccc1[N+](=O)[O-])c1sc2cc(Cl)ccc2c1Cl	ZINC000004902479	570556764	/nfs/dbraw/zinc/55/67/64/570556764.db2.gz	JMSBHZBDALAOSG-UHFFFAOYSA-N	-1	0	367.213	5.369	50	5		FKBARM
Cc1ccc(C2=Nc3ccccc3[N-]c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1	ZINC000005023312	570575825	/nfs/dbraw/zinc/57/58/25/570575825.db2.gz	UFBTUSNJAOOYDB-UHFFFAOYSA-N	-1	0	374.356	5.038	50	5		FKBARM
Cc1cccc2c(=O)c3c(O)cc(OCc4ccc(Cl)cc4)cc3oc12	ZINC000005241671	204198868	/nfs/dbraw/zinc/19/88/68/204198868.db2.gz	KHPVKPJAQAHRSE-UHFFFAOYSA-N	-1	0	366.800	5.193	50	5		FKBARM
O=[N+]([O-])c1ccc([O-])c(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)c1	ZINC000008577725	204334865	/nfs/dbraw/zinc/33/48/65/204334865.db2.gz	YXKUONDRYNBSNG-UHFFFAOYSA-N	-1	0	363.398	5.086	50	5	aggregator	FKBARM
Cc1cc(C2SCc3cc(C)c(C)cc3CS2)c([O-])c([N+](=O)[O-])c1	ZINC000012445135	571322439	/nfs/dbraw/zinc/32/24/39/571322439.db2.gz	QPRUXZUWBOXDEZ-UHFFFAOYSA-N	-1	0	361.488	5.404	50	5		FKBARM
O=[N+]([O-])c1cc(Cc2ccccc2)cc(-c2nc3ccccc3s2)c1[O-]	ZINC000015009302	570813057	/nfs/dbraw/zinc/81/30/57/570813057.db2.gz	VSCGFOZVDKWDNP-UHFFFAOYSA-N	-1	0	362.410	5.168	50	5		FKBARM
O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1[O-]	ZINC000035354375	571167202	/nfs/dbraw/zinc/16/72/02/571167202.db2.gz	CXOOHFSARKBOJO-UHFFFAOYSA-N	-1	0	357.369	5.025	50	5		FKBARM
O=[N+]([O-])c1ccc([O-])c(-c2nc3ccc4ccccc4c3c3c2CCC3)c1	ZINC000036047475	205001926	/nfs/dbraw/zinc/00/19/26/205001926.db2.gz	AEYYPDZVPRHNLC-UHFFFAOYSA-N	-1	0	356.381	5.158	50	5		FKBARM
CCN(CC)c1ccc(-c2cc(C(=O)[O-])c3c(ccc4ccccc43)n2)cc1	ZINC000058472770	221120062	/nfs/dbraw/zinc/12/00/62/221120062.db2.gz	GDZAYDWWTGFOFO-UHFFFAOYSA-N	-1	0	370.452	5.599	50	5		FKBARM
O=C([O-])CCCCCCCCCc1cc2cccc3ccc4cccc1c4c32	ZINC000113969640	570966716	/nfs/dbraw/zinc/96/67/16/570966716.db2.gz	KALWPWSSDPKDLE-UHFFFAOYSA-N	-1	0	372.508	7.332	50	5		FKBARM