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-])C[C@@H]1C(=O)C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21	ZINC000103540105	560052299	/nfs/dbraw/zinc/05/22/99/560052299.db2.gz	URLHMGRLORNLMZ-VIFPVBQESA-N	-1	0	346.291	2.387	1	10	biogenic,in-vitro	EECFRM
COc1ccc(O)c([C@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2C)c1	ZINC000004563839	295168884	/nfs/dbraw/zinc/16/88/84/295168884.db2.gz	VBXYARLHJFDHPV-HOTGVXAUSA-N	-1	0	327.336	2.396	1	10		EECFRM
COc1ccc(/C=C2\C(=O)[N-]N(c3ccc(F)cc3)C2=O)cc1O	ZINC000040892004	213396898	/nfs/dbraw/zinc/39/68/98/213396898.db2.gz	JBRAZUFBCCEPGR-MDWZMJQESA-N	-1	0	328.299	2.001	1	10		EECFRM
CC(=O)N1CCC(c2[n-][nH]c(=O)c2N=Nc2ccc(F)cc2F)CC1	ZINC000102639090	219216775	/nfs/dbraw/zinc/21/67/75/219216775.db2.gz	LHMJRAAQHHRNBB-DSGGYQJVSA-N	-1	0	349.341	2.161	1	10		EECFRM
CCOCc1c([O-])cc2c(c1O)C(=O)c1ccc(OC)c(O)c1C2=O	ZINC000014758506	560225508	/nfs/dbraw/zinc/22/55/08/560225508.db2.gz	XTXAOKFDPSACFJ-UHFFFAOYSA-N	-1	0	344.319	2.124	1	10	biogenic,in-vitro	EECFRM
CC(=O)N1CCC(c2[n-][nH]c(=O)c2N=Nc2ccc(F)cc2F)CC1	ZINC000102639096	219216912	/nfs/dbraw/zinc/21/69/12/219216912.db2.gz	LHMJRAAQHHRNBB-AYAKEVCGSA-N	-1	0	349.341	2.161	1	10		EECFRM
O=C([O-])[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)cc1	ZINC000013526420	560218625	/nfs/dbraw/zinc/21/86/25/560218625.db2.gz	KIMHJUCTTIEANQ-KZJSRBBCSA-N	-1	0	344.319	2.056	1	10	in-vitro	EECFRM
COc1ccc(O)c([C@@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2C)c1	ZINC000004563834	295167270	/nfs/dbraw/zinc/16/72/70/295167270.db2.gz	VBXYARLHJFDHPV-HZPDHXFCSA-N	-1	0	327.336	2.396	1	10		EECFRM
COc1ccc(O)c([C@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2C)c1	ZINC000004563836	210222241	/nfs/dbraw/zinc/22/22/41/210222241.db2.gz	VBXYARLHJFDHPV-CVEARBPZSA-N	-1	0	327.336	2.396	1	10		EECFRM
COc1ccc(O)c([C@@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2C)c1	ZINC000004563838	210222389	/nfs/dbraw/zinc/22/23/89/210222389.db2.gz	VBXYARLHJFDHPV-JKSUJKDBSA-N	-1	0	327.336	2.396	1	10		EECFRM
COc1ccc(OC)c2c1C(=O)c1cc(C(=O)[O-])cc(OC)c1C2=O	ZINC000003810502	210074634	/nfs/dbraw/zinc/07/46/34/210074634.db2.gz	JWPHKMAIBMGJKV-UHFFFAOYSA-N	-1	0	342.303	2.186	1	10		EECFRM
CS(=O)(=O)c1ccc(/C(=C\c2ccc(O)c(O)c2)C(=O)[O-])cc1	ZINC000095590996	218443101	/nfs/dbraw/zinc/44/31/01/218443101.db2.gz	LUPLIYDMXAVKQH-MDWZMJQESA-N	-1	0	334.349	2.127	1	10		EECFRM
COc1ccc(-c2oc3cc([O-])c(O)c(O)c3c(=O)c2OC)cc1O	ZINC000014436868	560221360	/nfs/dbraw/zinc/22/13/60/560221360.db2.gz	LIIZTGPIKLYGNT-UHFFFAOYSA-N	-1	0	346.291	2.300	1	10	biogenic,in-vitro	EECFRM
O=C([O-])c1cc(Cc2ccc(O)c(O)c2)c2cc(O)c(=O)cc-2[nH]1	ZINC000013490175	211567302	/nfs/dbraw/zinc/56/73/02/211567302.db2.gz	AJWXUVRPFWMLEJ-UHFFFAOYSA-N	-1	0	327.292	2.346	1	10		EECFRM
O=C([O-])Cc1cccc(NC(=O)CCc2cc(O)c(O)c(O)c2)c1	ZINC000035274849	213017414	/nfs/dbraw/zinc/01/74/14/213017414.db2.gz	AFZJAEOZRFMRRE-UHFFFAOYSA-N	-1	0	331.324	2.002	1	10		EECFRM
COCCN1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@H]1c1ccccc1O	ZINC000020583501	212149782	/nfs/dbraw/zinc/14/97/82/212149782.db2.gz	YVOYHYMDEFXRBI-DLBZAZTESA-N	-1	0	341.363	2.404	1	10		EECFRM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(Br)cc1	ZINC000102607618	219214140	/nfs/dbraw/zinc/21/41/40/219214140.db2.gz	RAGLNOYYHRUCBP-IRUFBXEESA-N	-1	0	340.206	2.363	1	10		EECFRM
O=C([O-])c1ccc2ccc(C(=O)Nc3ccc(O)c(O)c3)nc2c1O	ZINC000026498189	202144267	/nfs/dbraw/zinc/14/42/67/202144267.db2.gz	FAEJJAIMPDXNDF-UHFFFAOYSA-N	-1	0	340.291	2.302	1	10		EECFRM
O=c1cc(C=Cc2cc(O)c(O)c(O)c2)oc2cc([O-])cc(O)c12	ZINC000103175719	204065190	/nfs/dbraw/zinc/06/51/90/204065190.db2.gz	VWZZNVCSKHLBPY-OWOJBTEDSA-N	-1	0	328.276	2.491	1	10		EECFRM
O=c1cc(O)n(-c2cn3c(-c4ccc(Cl)cc4)csc3n2)[n-]1	ZINC000103259614	204069907	/nfs/dbraw/zinc/06/99/07/204069907.db2.gz	SQRZBYOXRVIMFX-UHFFFAOYSA-N	-1	0	332.772	2.484	1	10		EECFRM
CC1(C)OC(=O)C(C=Nc2ccc(C(=O)[O-])c(Cl)c2)C(=O)O1	ZINC000101983720	219178722	/nfs/dbraw/zinc/17/87/22/219178722.db2.gz	NNWZLYNIRJITIZ-UHFFFAOYSA-N	-1	0	325.704	2.170	1	10		EECFRM
COCCN1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@@H]1c1ccccc1O	ZINC000020583503	212150281	/nfs/dbraw/zinc/15/02/81/212150281.db2.gz	YVOYHYMDEFXRBI-SJORKVTESA-N	-1	0	341.363	2.404	1	10		EECFRM
O=C([O-])/C=C/c1ccc2c(c1)O[C@@H](CO)[C@H](c1ccc(O)c(O)c1)O2	ZINC000103281673	219282543	/nfs/dbraw/zinc/28/25/43/219282543.db2.gz	FFMAMRFQOOHFDW-SOPWNFQTSA-N	-1	0	344.319	2.069	1	10		EECFRM
COCCN1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@@H]1c1ccccc1O	ZINC000020583497	212149971	/nfs/dbraw/zinc/14/99/71/212149971.db2.gz	YVOYHYMDEFXRBI-IRXDYDNUSA-N	-1	0	341.363	2.404	1	10		EECFRM
COc1cc([O-])c(O)c2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c12	ZINC000014437008	560221406	/nfs/dbraw/zinc/22/14/06/560221406.db2.gz	KNEPLXVAXBQPGZ-UHFFFAOYSA-N	-1	0	346.291	2.300	1	10	biogenic,in-vitro	EECFRM
Cc1c(NC(=O)CCc2cc(O)c(O)c(O)c2)cccc1C(=O)[O-]	ZINC000035269405	213017479	/nfs/dbraw/zinc/01/74/79/213017479.db2.gz	ZJJCGXHVYXDZNP-UHFFFAOYSA-N	-1	0	331.324	2.381	1	10		EECFRM
COc1ccc(-c2oc3c(O)c([O-])cc(O)c3c(=O)c2OC)cc1O	ZINC000014437006	560221415	/nfs/dbraw/zinc/22/14/15/560221415.db2.gz	PBBXHFKIHMKJCA-UHFFFAOYSA-N	-1	0	346.291	2.300	1	10	biogenic,in-vitro	EECFRM
COCCN1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@H]1c1ccccc1O	ZINC000020583507	202050101	/nfs/dbraw/zinc/05/01/01/202050101.db2.gz	YVOYHYMDEFXRBI-IAGOWNOFSA-N	-1	0	341.363	2.404	1	10		EECFRM
Cc1ccc(C(=O)[O-])cc1NC(=O)CCc1cc(O)c(O)c(O)c1	ZINC000035269403	213017010	/nfs/dbraw/zinc/01/70/10/213017010.db2.gz	GMYGPJIWWTWLKU-UHFFFAOYSA-N	-1	0	331.324	2.381	1	10		EECFRM
COc1cc2c(c(OC)c1[O-])C(=O)c1c(cc(C)c(O)c1OC)C2=O	ZINC000059587344	560082767	/nfs/dbraw/zinc/08/27/67/560082767.db2.gz	LJPSBLQSBSZEGV-UHFFFAOYSA-N	-1	0	344.319	2.207	1	10	biogenic,in-vitro	EECFRM
CC1(C)OC(=O)C(C=Nc2ccc(Cl)c(C(=O)[O-])c2)C(=O)O1	ZINC000101954042	219175275	/nfs/dbraw/zinc/17/52/75/219175275.db2.gz	ANYZADJXMKGAEN-UHFFFAOYSA-N	-1	0	325.704	2.170	1	10		EECFRM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(Br)cc1	ZINC000102607622	219213936	/nfs/dbraw/zinc/21/39/36/219213936.db2.gz	RAGLNOYYHRUCBP-FZPGPQOYSA-N	-1	0	340.206	2.363	1	10		EECFRM
O=C([O-])/C=C/c1ccc2c(c1)O[C@@H](CO)[C@@H](c1ccc(O)c(O)c1)O2	ZINC000103281670	219281913	/nfs/dbraw/zinc/28/19/13/219281913.db2.gz	FFMAMRFQOOHFDW-SEGSCTKESA-N	-1	0	344.319	2.069	1	10		EECFRM
O=c1cc(CCc2ccccc2O)oc2c(O)c([O-])c(O)c(O)c12	ZINC000095918985	290973581	/nfs/dbraw/zinc/97/35/81/290973581.db2.gz	NJTJTTYZOGWTFG-UHFFFAOYSA-N	-1	0	330.292	2.106	1	10	biogenic,in-vitro	EECFRM
O=C([O-])CN1C(=O)/C(=C/c2ccc(F)c(F)c2F)SC1=S	ZINC000049088483	213985079	/nfs/dbraw/zinc/98/50/79/213985079.db2.gz	CRUPMUNQNYSGMN-CLTKARDFSA-N	-1	0	333.312	2.390	1	10		EECFRM
CN(C)c1ccc(-c2nc3cc(C(=O)[O-])ccc3n2CCO)cc1	ZINC000103226376	219272761	/nfs/dbraw/zinc/27/27/61/219272761.db2.gz	BBKXDIXATRWQHC-UHFFFAOYSA-N	-1	0	325.368	2.460	1	10		EECFRM