smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)C(=O)N(CCCN1CCOCC1)Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000040916650	205084916	/nfs/dbraw/zinc/08/49/16/205084916.db2.gz	GAHKCMBXUQQIPH-UHFFFAOYSA-N	-1	0	366.418	1.506	1	10		FDCFRM
O=C1[N-]C(=O)C(=CNNC(=S)Nc2cccc(C(F)(F)F)c2)C(=O)N1	ZINC000096930164	209162986	/nfs/dbraw/zinc/16/29/86/209162986.db2.gz	ZKAWKZGZCNSSGH-UHFFFAOYSA-N	-1	0	373.316	1.587	1	10		FDCFRM
O=C([O-])c1ccc2ccc(C(=O)NCc3ccc(O)c(O)c3O)nc2c1O	ZINC000006525030	207145676	/nfs/dbraw/zinc/14/56/76/207145676.db2.gz	IITSQEXMDOMDMJ-UHFFFAOYSA-N	-1	0	370.317	1.685	1	10		FDCFRM
C/C=C/c1cc2c(c(=O)o1)-c1c(O)c(O)c(OC)c(C(=O)[O-])c1[C@H](O)O2	ZINC000040934216	208275092	/nfs/dbraw/zinc/27/50/92/208275092.db2.gz	ZFHFTSQJDRLEMK-REMYHPOOSA-N	-1	0	362.290	1.841	1	10		FDCFRM
O=C([O-])c1cc(O)c(O)c(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)c1	ZINC000040974847	208279196	/nfs/dbraw/zinc/27/91/96/208279196.db2.gz	GXGHOWIHLLQXIK-UHFFFAOYSA-N	-1	0	374.330	1.811	1	10		FDCFRM
O=C([O-])[C@@H]1/C(=C\c2ccc(O)c(O)c2)C(=O)O[C@H]1c1ccc(O)c(O)c1	ZINC000014650589	211097014	/nfs/dbraw/zinc/09/70/14/211097014.db2.gz	OIVDIVRTEKNHDH-HYWCFLMXSA-N	-1	0	358.302	1.891	1	10		FDCFRM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1c(C)n(C)n(-c2ccccc2)c1=O	ZINC000084459859	221722561	/nfs/dbraw/zinc/72/25/61/221722561.db2.gz	FHFCOSNPTBGCJT-AKDSAVJFSA-N	-1	0	371.426	1.398	1	10		FDCFRM
O=S(=O)([O-])O[C@@H]1Cc2cc(O)cc(O)c2O[C@@H]1c1ccc(O)c(O)c1	ZINC000095617629	571795519	/nfs/dbraw/zinc/79/55/19/571795519.db2.gz	WTXWEAXATVSZQX-UKRRQHHQSA-N	-1	0	370.335	1.373	1	10	endogenous,in-man	FDCFRM
O=C([O-])[C@H](Cc1ccc(O)cc1)NC=C1C(=O)NN=C1c1ccccc1	ZINC000072179102	205501194	/nfs/dbraw/zinc/50/11/94/205501194.db2.gz	XLYRMFKTBOQZCJ-QZFKAFNDSA-N	-1	0	351.362	1.396	1	10		FDCFRM
CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(O)c([O-])c(O)c1-2	ZINC000038494624	208204021	/nfs/dbraw/zinc/20/40/21/208204021.db2.gz	DCGVFOULCIYYQP-ZDUSSCGKSA-N	-1	0	356.378	1.996	1	10		FDCFRM
O=C1CSC(=S)N1c1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000045286151	208329138	/nfs/dbraw/zinc/32/91/38/208329138.db2.gz	GTKMMNYWEVTTPV-UHFFFAOYSA-N	-1	0	366.449	1.642	1	10		FDCFRM
COc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)c(O)c1O	ZINC000096914907	222138447	/nfs/dbraw/zinc/13/84/47/222138447.db2.gz	ZRUFFNZUJSJODW-UHFFFAOYSA-N	-1	0	374.353	1.775	1	10		FDCFRM
CC(C)(O)[C@@H]1Cc2c(c(CO)cc3c2C(=O)c2cccc(O)c2C3=O)O1	ZINC000013383129	291036439	/nfs/dbraw/zinc/03/64/39/291036439.db2.gz	XTQYMYODVMISSX-AWEZNQCLSA-N	-1	0	354.358	1.734	1	10	biogenic,in-vitro	FDCFRM
CC(C)(O)[C@@H]1Oc2c(c3c(cc2CO)C(=O)c2c(O)cccc2C3=O)[C@@H]1O	ZINC000013383128	291036417	/nfs/dbraw/zinc/03/64/17/291036417.db2.gz	PDGGEMXVDWVFTE-PKOBYXMFSA-N	-1	0	370.357	1.225	1	10	biogenic,in-vitro	FDCFRM
O=C([O-])[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\c1ccc(O)c(O)c1	ZINC000013403582	220066897	/nfs/dbraw/zinc/06/68/97/220066897.db2.gz	GPZFXSWMDFBRGS-GCLPIYDQSA-N	-1	0	359.334	1.334	1	10	endogenous,in-man	FDCFRM
Cc1cccc(Cl)c1NC(=S)NNC=C1C(=O)[N-]C(=O)NC1=O	ZINC000096930162	222142379	/nfs/dbraw/zinc/14/23/79/222142379.db2.gz	JDXMZCIREIBEQO-UHFFFAOYSA-N	-1	0	353.791	1.530	1	10		FDCFRM
O=S(=O)([O-])O[C@@H]1Cc2cc(O)cc(O)c2O[C@H]1c1ccc(O)c(O)c1	ZINC000095617630	571795421	/nfs/dbraw/zinc/79/54/21/571795421.db2.gz	WTXWEAXATVSZQX-HIFRSBDPSA-N	-1	0	370.335	1.373	1	10	endogenous,in-man	FDCFRM
O=C([O-])[C@H](O)Cc1ccc(OC(=O)/C=C\c2ccc(O)c(O)c2)c(O)c1	ZINC000033832220	291043533	/nfs/dbraw/zinc/04/35/33/291043533.db2.gz	DXLVFAYCOFIADZ-OMVNSRBRSA-N	-1	0	360.318	1.410	1	10	biogenic,in-vitro	FDCFRM