smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc([O-])c2c(c1)C(=O)C1=CC(C)CC(O)=C1C2=O	ZINC000103538754	290842809	/nfs/dbraw/zinc/84/28/09/290842809.db2.gz	GDKCLRVMYLLXBX-ZANVPECISA-N	-1	1	286.283	2.414	1	10	biogenic,in-vitro	CECFMM
O=C1C[C@H](c2ccc(O)c(O)c2)Oc2cc([O-])c(O)cc21	ZINC000014728364	290848142	/nfs/dbraw/zinc/84/81/42/290848142.db2.gz	ZIKILYZOICUSQT-CQSZACIVSA-N	-1	1	288.255	2.216	1	10	biogenic,in-vitro	CECFMM
O=C1COc2cc(O)ccc2-c2cc([O-])c(O)cc21	ZINC000095558584	185009361	/nfs/dbraw/zinc/00/93/61/185009361.db2.gz	ZAOGOJVQXXXNAU-UHFFFAOYSA-N	-1	1	258.229	2.046	1	10		CECFMM
COn1c(C[N-]C(=S)SC)cc2ccccc21	ZINC000038247466	174138068	/nfs/dbraw/zinc/13/80/68/174138068.db2.gz	NNEJHKNYIVHPTC-UHFFFAOYSA-N	-1	1	266.391	2.437	1	10		CECFMM
CCOc1ccc(C(=O)c2ccc(O)c(O)c2[O-])cc1	ZINC000003203922	560188875	/nfs/dbraw/zinc/18/88/75/560188875.db2.gz	VYIBOCHDJVESIU-UHFFFAOYSA-N	-1	1	274.272	2.433	3	10	in-vitro	CECFMM
O=c1cc(-c2ccc(O)c(O)c2)c2c([O-])cc(O)cc2o1	ZINC000013340142	560214649	/nfs/dbraw/zinc/21/46/49/560214649.db2.gz	MTPPEXKSTZLWHU-UHFFFAOYSA-N	-1	1	286.239	2.282	1	10	biogenic,in-vitro	CECFMM
COc1cc(O)c2c(=O)oc3cc([O-])c(O)cc3c2c1	ZINC000045347761	175361676	/nfs/dbraw/zinc/36/16/76/175361676.db2.gz	CBQSPNLMOXKZHJ-UHFFFAOYSA-N	-1	1	274.228	2.072	1	10		CECFMM
COc1cc2c(cc1[O-])C(=O)c1c(O)c(C)ccc1C2=O	ZINC000014814393	290843540	/nfs/dbraw/zinc/84/35/40/290843540.db2.gz	BVNMMZKNCPOEFW-UHFFFAOYSA-N	-1	1	284.267	2.190	1	10	biogenic,in-vitro	CECFMM
COc1cc(O)c2c(=O)oc3c(O)c([O-])cc(C)c3c2c1	ZINC000040938655	277385949	/nfs/dbraw/zinc/38/59/49/277385949.db2.gz	BVYAURIYXKOUPX-UHFFFAOYSA-N	-1	1	288.255	2.380	1	10		CECFMM
COc1c([O-])cc2c(c1OC)C(=O)c1ccc(C)cc1C2=O	ZINC000095559150	185009279	/nfs/dbraw/zinc/00/92/79/185009279.db2.gz	SDORPFNPHNOSFS-UHFFFAOYSA-N	-1	1	298.294	2.493	1	10		CECFMM
O=C(Cn1cnc2ccccc21)c1ccc([O-])c(O)c1	ZINC000045387849	175373997	/nfs/dbraw/zinc/37/39/97/175373997.db2.gz	ILEKMJJREWCPRD-UHFFFAOYSA-N	-1	1	268.272	2.330	1	10		CECFMM
CCOc1cccc(C(=O)c2ccc(O)c(O)c2[O-])c1	ZINC000003978516	560192576	/nfs/dbraw/zinc/19/25/76/560192576.db2.gz	GIPLQLQEWXCSIX-UHFFFAOYSA-N	-1	1	274.272	2.433	3	10	in-vitro	CECFMM
O=C1c2ccc(O)c([O-])c2C(=O)N1[C@@H]1CCc2ccccc21	ZINC000045321673	175359781	/nfs/dbraw/zinc/35/97/81/175359781.db2.gz	ANEUNEGOGJPVGI-GFCCVEGCSA-N	-1	1	295.294	2.381	1	10		CECFMM
O=C(CNc1nc2ccccc2[nH]1)c1ccc([O-])c(O)c1	ZINC000045366638	175363120	/nfs/dbraw/zinc/36/31/20/175363120.db2.gz	ONHOEPQQKCJUSE-UHFFFAOYSA-N	-1	1	283.287	2.269	1	10		CECFMM
CC1C=C2C(=O)c3cccc([O-])c3C(=O)C2=C(O)C1	ZINC000100152937	560052931	/nfs/dbraw/zinc/05/29/31/560052931.db2.gz	RJOOIZGQOJJWMS-ZANVPECISA-N	-1	1	256.257	2.405	1	10	biogenic,in-vitro	CECFMM
Cc1ccc2c(c1)C(=O)c1ccc([O-])c(O)c1C2=O	ZINC000013334364	560214487	/nfs/dbraw/zinc/21/44/87/560214487.db2.gz	QBYMXIKOVUNSHE-UHFFFAOYSA-N	-1	1	254.241	2.182	1	10	biogenic,in-vitro	CECFMM
O=C1c2ccc(O)c([O-])c2C(=O)N1[C@H]1CCc2ccccc21	ZINC000045245930	175336395	/nfs/dbraw/zinc/33/63/95/175336395.db2.gz	ANEUNEGOGJPVGI-LBPRGKRZSA-N	-1	1	295.294	2.381	1	10		CECFMM
COc1c([O-])ccc2c1C(=O)c1c(O)cc(C)cc1C2=O	ZINC000014814143	286187146	/nfs/dbraw/zinc/18/71/46/286187146.db2.gz	OCZOZMSHTPWVFR-UHFFFAOYSA-N	-1	1	284.267	2.190	1	10		CECFMM
COCc1cc2c(cc1[O-])C(=O)c1cc(O)ccc1C2=O	ZINC000013327870	560214449	/nfs/dbraw/zinc/21/44/49/560214449.db2.gz	BTNISWPIOSAYEQ-UHFFFAOYSA-N	-1	1	284.267	2.020	1	10	biogenic,in-vitro	CECFMM
O=C(c1ccc([O-])c(O)c1)c1cc2cccc(O)c2oc1=O	ZINC000096917601	185129890	/nfs/dbraw/zinc/12/98/90/185129890.db2.gz	PEJWUBBGVOXXRH-UHFFFAOYSA-N	-1	1	298.250	2.141	1	10		CECFMM
CC1C=C2C(=O)c3cccc([O-])c3C(=O)C2=C(O)C1	ZINC000005791666	170140496	/nfs/dbraw/zinc/14/04/96/170140496.db2.gz	RJOOIZGQOJJWMS-NOZJJQNGSA-N	-1	1	256.257	2.405	1	10		CECFMM
O=C1[N-]C(=S)C(=Cc2ccc(O)c(O)c2)S1	ZINC000095553349	185008781	/nfs/dbraw/zinc/00/87/81/185008781.db2.gz	QZHOVEUKVHJHAJ-YWEYNIOJSA-N	-1	1	253.304	2.223	1	10		CECFMM
O=C1[N-]C(=S)SC1=Cc1ccc(O)c(O)c1O	ZINC000049113543	527515247	/nfs/dbraw/zinc/51/52/47/527515247.db2.gz	IFRZEGIVAJENFR-UTCJRWHESA-N	-1	1	269.303	2.133	1	10		CECFMM