smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc2cc(-c3ccc([O-])c(O)c3)c(=O)oc12	ZINC000096908580	185128522	/nfs/dbraw/zinc/12/85/22/185128522.db2.gz	NITSFXXTYPFWQT-UHFFFAOYSA-N	-1	3	268.268	3.180	1	10		CGCFHM
Cc1cccc2cc(-c3ccc(O)c([O-])c3)c(=O)oc12	ZINC000096908580	185128524	/nfs/dbraw/zinc/12/85/24/185128524.db2.gz	NITSFXXTYPFWQT-UHFFFAOYSA-N	-1	3	268.268	3.180	1	10		CGCFHM
O=c1cc(N=Nc2ccc(Cl)c(Cl)c2)[nH]c(=O)[n-]1	ZINC000005833662	170145382	/nfs/dbraw/zinc/14/53/82/170145382.db2.gz	NYYDLONKIRRDKD-NXVVXOECSA-N	-1	3	285.090	3.198	1	10		CGCFHM
CC(C)=CC=Cc1cc(O)c2c(c1[O-])C(=O)CCC2=O	ZINC000034124982	560087505	/nfs/dbraw/zinc/08/75/05/560087505.db2.gz	CZGHGTZWEOTTPP-HWKANZROSA-N	-1	3	272.300	3.236	1	10	biogenic,in-vitro	CGCFHM
CC(C)=CC=Cc1cc([O-])c2c(c1O)C(=O)CCC2=O	ZINC000034124982	560087507	/nfs/dbraw/zinc/08/75/07/560087507.db2.gz	CZGHGTZWEOTTPP-HWKANZROSA-N	-1	3	272.300	3.236	1	10	biogenic,in-vitro	CGCFHM
CN1N=C(c2ccc(O)cc2[O-])C[C@H]1c1ccccc1F	ZINC000096921773	185131686	/nfs/dbraw/zinc/13/16/86/185131686.db2.gz	RNLRVCHUYIQEGC-HNNXBMFYSA-N	-1	3	286.306	3.018	1	10		CGCFHM
Cc1ccc2oc(=O)c3c4cc(O)c([O-])cc4oc3c2c1	ZINC000008860379	170357651	/nfs/dbraw/zinc/35/76/51/170357651.db2.gz	GVQPZRCYVSSDEE-UHFFFAOYSA-N	-1	3	282.251	3.412	1	10		CGCFHM
CC(C)=CCCc1cc([O-])c2c(c1O)C(=O)CCC2=O	ZINC000034220087	560087157	/nfs/dbraw/zinc/08/71/57/560087157.db2.gz	CHJBTRRHRZGUGG-UHFFFAOYSA-N	-1	3	274.316	3.156	1	10	biogenic,in-vitro	CGCFHM
Cc1ccccc1[C@H]1CC(c2ccc(O)cc2[O-])=NN1C	ZINC000096921780	185131020	/nfs/dbraw/zinc/13/10/20/185131020.db2.gz	BXCPXQFMCGYSKV-MRXNPFEDSA-N	-1	3	282.343	3.187	1	10		CGCFHM
O=c1ccc2cc(O)c(-c3ccc([O-])c(O)c3)oc-2c1	ZINC000002566205	169810049	/nfs/dbraw/zinc/81/00/49/169810049.db2.gz	ZBGITCYVOHVJEB-UHFFFAOYSA-O	-1	3	271.248	3.203	1	10		CGCFHM
Cc1c2oc3c(c2cc(O)c1[O-])c(=O)oc1ccccc31	ZINC000008679943	170345052	/nfs/dbraw/zinc/34/50/52/170345052.db2.gz	YVPJUHAYXXDOPT-UHFFFAOYSA-N	-1	3	282.251	3.412	1	10		CGCFHM
COc1ccc(-c2cnoc2-c2ccc([O-])c(O)c2)cc1	ZINC000066074323	523156684	/nfs/dbraw/zinc/15/66/84/523156684.db2.gz	RUNRAURYRQUTSU-UHFFFAOYSA-N	-1	3	283.283	3.428	1	10		CGCFHM
Cc1ccc([C@H]2CC(c3ccc(O)cc3[O-])=NN2C)cc1	ZINC000096921784	185131706	/nfs/dbraw/zinc/13/17/06/185131706.db2.gz	NUNCAFOYGRAGIN-MRXNPFEDSA-N	-1	3	282.343	3.187	1	10		CGCFHM
[O-]c1cc2ccoc2cc1CNc1ccccc1CO	ZINC000028007657	171543772	/nfs/dbraw/zinc/54/37/72/171543772.db2.gz	ZCKRVNWVDSBFMV-UHFFFAOYSA-N	-1	3	269.300	3.243	1	10		CGCFHM
CN1N=C(c2ccc(O)cc2[O-])C[C@@H]1c1ccc(F)cc1	ZINC000096921778	185131016	/nfs/dbraw/zinc/13/10/16/185131016.db2.gz	PWCUXLCHLIAMBR-OAHLLOKOSA-N	-1	3	286.306	3.018	1	10		CGCFHM
CN1N=C(c2ccc(O)cc2[O-])C[C@H]1c1cccc(F)c1	ZINC000096921775	185131376	/nfs/dbraw/zinc/13/13/76/185131376.db2.gz	VBXNHXIIDPROQX-HNNXBMFYSA-N	-1	3	286.306	3.018	1	10		CGCFHM
CN1N=C(c2ccc(O)cc2[O-])C[C@@H]1c1cccc(F)c1	ZINC000096921776	185131350	/nfs/dbraw/zinc/13/13/50/185131350.db2.gz	VBXNHXIIDPROQX-OAHLLOKOSA-N	-1	3	286.306	3.018	1	10		CGCFHM
Cc1cccc([C@H]2CC(c3ccc(O)cc3[O-])=NN2C)c1	ZINC000096921782	185131569	/nfs/dbraw/zinc/13/15/69/185131569.db2.gz	XLJJZTFXLAVQNM-MRXNPFEDSA-N	-1	3	282.343	3.187	1	10		CGCFHM
COc1ccc2c(c1)OCc1c3cc(O)c([O-])cc3oc1-2	ZINC000014820617	560226890	/nfs/dbraw/zinc/22/68/90/560226890.db2.gz	FLLWZPMYUAPJEA-UHFFFAOYSA-N	-1	3	284.267	3.412	1	10	biogenic,in-vitro	CGCFHM
Cc1ccc2oc(=O)c(-c3ccc([O-])c(O)c3)cc2c1	ZINC000096908579	185127310	/nfs/dbraw/zinc/12/73/10/185127310.db2.gz	UYGKNIJCEQYOBR-UHFFFAOYSA-N	-1	3	268.268	3.180	1	10		CGCFHM
Cc1ccc2oc(=O)c(-c3ccc(O)c([O-])c3)cc2c1	ZINC000096908579	185127312	/nfs/dbraw/zinc/12/73/12/185127312.db2.gz	UYGKNIJCEQYOBR-UHFFFAOYSA-N	-1	3	268.268	3.180	1	10		CGCFHM
Cc1ccccc1[C@@H]1CC(c2ccc(O)cc2[O-])=NN1C	ZINC000096921779	185130688	/nfs/dbraw/zinc/13/06/88/185130688.db2.gz	BXCPXQFMCGYSKV-INIZCTEOSA-N	-1	3	282.343	3.187	1	10		CGCFHM
CN1N=C(c2ccc(O)cc2[O-])C[C@@H]1c1ccccc1F	ZINC000096921774	185130813	/nfs/dbraw/zinc/13/08/13/185130813.db2.gz	RNLRVCHUYIQEGC-OAHLLOKOSA-N	-1	3	286.306	3.018	1	10		CGCFHM
Cc1cccc([C@@H]2CC(c3ccc(O)cc3[O-])=NN2C)c1	ZINC000096921781	185131139	/nfs/dbraw/zinc/13/11/39/185131139.db2.gz	XLJJZTFXLAVQNM-INIZCTEOSA-N	-1	3	282.343	3.187	1	10		CGCFHM
CN1N=C(c2ccc(O)cc2[O-])C[C@H]1c1ccc(F)cc1	ZINC000096921777	185131065	/nfs/dbraw/zinc/13/10/65/185131065.db2.gz	PWCUXLCHLIAMBR-HNNXBMFYSA-N	-1	3	286.306	3.018	1	10		CGCFHM
[O-]c1c(CN2CCSCC2)cc(Cl)c2cccnc12	ZINC000096916537	185130212	/nfs/dbraw/zinc/13/02/12/185130212.db2.gz	ZYQCQCZKXYWSRP-UHFFFAOYSA-N	-1	3	294.807	3.143	1	10		CGCFHM
O=c1cc(/C=C/c2cc(O)c([O-])c(O)c2)oc2ccccc12	ZINC000103186557	185814879	/nfs/dbraw/zinc/81/48/79/185814879.db2.gz	WDMSBBMICZFBOH-AATRIKPKSA-N	-1	3	296.278	3.080	1	10		CGCFHM
Cc1ccc([C@@H]2CC(c3ccc(O)cc3[O-])=NN2C)cc1	ZINC000096921783	185130898	/nfs/dbraw/zinc/13/08/98/185130898.db2.gz	NUNCAFOYGRAGIN-INIZCTEOSA-N	-1	3	282.343	3.187	1	10		CGCFHM
COc1c2oc3c(c2cc([O-])c1O)c(=O)oc1ccccc31	ZINC000008679936	170345178	/nfs/dbraw/zinc/34/51/78/170345178.db2.gz	ZDSBVGNINXQGCZ-UHFFFAOYSA-N	-1	3	298.250	3.112	1	10		CGCFHM
COc1c2oc3c(c2cc(O)c1[O-])c(=O)oc1ccccc31	ZINC000008679936	170345179	/nfs/dbraw/zinc/34/51/79/170345179.db2.gz	ZDSBVGNINXQGCZ-UHFFFAOYSA-N	-1	3	298.250	3.112	1	10		CGCFHM