smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C[C@H](c1ccc(OCCc2ccccc2)c(OC)c1)c1c([O-])c2ccccc2oc1=O	ZINC000217636181	569880795	/nfs/dbraw/zinc/88/07/95/569880795.db2.gz	GPWONJJAENLJCT-OAQYLSRUSA-N	-1	0	474.509	4.824	50	70		JJIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](c2cccc(OC(F)F)c2)CC(=O)O4)cc1O	ZINC000217731696	569881273	/nfs/dbraw/zinc/88/12/73/569881273.db2.gz	QAGUEXRLLNNACK-OAHLLOKOSA-N	-1	0	496.418	4.922	50	70		JJIARM
O=c1cc(-c2ccc(O)cc2)oc2c1c([O-])cc1c2[C@H](C2=Cc3ccccc3OC2)CC(=O)O1	ZINC000217732215	569881247	/nfs/dbraw/zinc/88/12/47/569881247.db2.gz	RUSIXEIDISQBEI-SFHVURJKSA-N	-1	0	454.434	4.740	50	70		JJIARM
COC(=O)C[C@@H](c1ccc(OCCc2ccccc2)c(OC)c1)c1c([O-])c2ccccc2oc1=O	ZINC000217636251	569880805	/nfs/dbraw/zinc/88/08/05/569880805.db2.gz	GPWONJJAENLJCT-NRFANRHFSA-N	-1	0	474.509	4.824	50	70		JJIARM
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc([O-])c1-3)[C@H](c1cc(F)c(F)c(F)c1)CC(=O)O2	ZINC000217642703	569880812	/nfs/dbraw/zinc/88/08/12/569880812.db2.gz	HZTOCWDBUYDPMO-ZDUSSCGKSA-N	-1	0	454.356	4.730	50	70		JJIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](c2ccccc2Cl)CC(=O)O4)cc1O	ZINC000217816768	569881717	/nfs/dbraw/zinc/88/17/17/569881717.db2.gz	MQLAUGAFUJNUMK-CQSZACIVSA-N	-1	0	464.857	4.974	50	70		JJIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](c2ccc3ncccc3c2)CC(=O)O4)cc1O	ZINC000217849464	569881844	/nfs/dbraw/zinc/88/18/44/569881844.db2.gz	ASHOMEIBMBDCGE-KRWDZBQOSA-N	-1	0	481.460	4.869	50	70		JJIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](c2ccc3ncccc3c2)CC(=O)O4)cc1O	ZINC000217849388	569881825	/nfs/dbraw/zinc/88/18/25/569881825.db2.gz	ASHOMEIBMBDCGE-QGZVFWFLSA-N	-1	0	481.460	4.869	50	70		JJIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](c2ccnc3ccccc32)CC(=O)O4)cc1O	ZINC000217919311	569882112	/nfs/dbraw/zinc/88/21/12/569882112.db2.gz	IYDYMABVACHIPF-QGZVFWFLSA-N	-1	0	481.460	4.869	50	70		JJIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](c2ccnc3ccccc32)CC(=O)O4)cc1O	ZINC000217919395	569882121	/nfs/dbraw/zinc/88/21/21/569882121.db2.gz	IYDYMABVACHIPF-KRWDZBQOSA-N	-1	0	481.460	4.869	50	70		JJIARM
COC(=O)C[C@H](c1ccc(OCCc2ccc3c(c2)CCO3)cc1)c1c([O-])c2ccccc2oc1=O	ZINC000217942891	569882221	/nfs/dbraw/zinc/88/22/21/569882221.db2.gz	JUQKCDFUEQLAPV-HSZRJFAPSA-N	-1	0	486.520	4.750	50	70		JJIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](c2cccc(OC(F)F)c2)CC(=O)O4)cc1O	ZINC000217731778	569881238	/nfs/dbraw/zinc/88/12/38/569881238.db2.gz	QAGUEXRLLNNACK-HNNXBMFYSA-N	-1	0	496.418	4.922	50	70		JJIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](C2=Cc3ccccc3OC2)CC(=O)O4)cc1O	ZINC000217596395	569880395	/nfs/dbraw/zinc/88/03/95/569880395.db2.gz	RIPOTKSOUVGDGS-KRWDZBQOSA-N	-1	0	484.460	4.749	50	70		JJIARM
O=C1C[C@@H](c2cccc(OC(F)F)c2)c2c(cc([O-])c3c(=O)cc(-c4ccc(O)cc4)oc32)O1	ZINC000217854432	569881912	/nfs/dbraw/zinc/88/19/12/569881912.db2.gz	GLEGQBGZCGVDTE-INIZCTEOSA-N	-1	0	466.392	4.914	50	70		JJIARM
COC(=O)C[C@@H](c1ccccc1OCCc1ccc(OC)cc1)c1c([O-])c2ccccc2oc1=O	ZINC000217804818	569881733	/nfs/dbraw/zinc/88/17/33/569881733.db2.gz	QFNFCHZRSPCNCP-QFIPXVFZSA-N	-1	0	474.509	4.824	50	70		JJIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](c2ccc(O)c(Cl)c2)CC(=O)O4)cc1O	ZINC000217855418	569881890	/nfs/dbraw/zinc/88/18/90/569881890.db2.gz	WEKMFDYUMAHBSQ-ZDUSSCGKSA-N	-1	0	480.856	4.680	50	70		JJIARM
COC(=O)C[C@H](c1cccc(OC)c1OCCc1ccccc1)c1c([O-])c2ccccc2oc1=O	ZINC000217925274	569882127	/nfs/dbraw/zinc/88/21/27/569882127.db2.gz	NMMKTBDXTDONHJ-OAQYLSRUSA-N	-1	0	474.509	4.824	50	70		JJIARM
COC(=O)C[C@@H](c1ccccc1OCCc1ccc2c(c1)CCO2)c1c([O-])c2ccccc2oc1=O	ZINC000218022965	569882456	/nfs/dbraw/zinc/88/24/56/569882456.db2.gz	KJWHDTFEQSXXLE-QFIPXVFZSA-N	-1	0	486.520	4.750	50	70		JJIARM
O=c1cc(-c2ccc(O)cc2)oc2c1c([O-])cc1c2[C@H](c2ccc(O)c(Cl)c2)CC(=O)O1	ZINC000217631326	569880730	/nfs/dbraw/zinc/88/07/30/569880730.db2.gz	SZWLFXWRZAIEMB-AWEZNQCLSA-N	-1	0	450.830	4.671	50	70		JJIARM
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc(O)c1-3)[C@H](c1ccnc3ccccc31)CC(=O)O2	ZINC000217801323	569881571	/nfs/dbraw/zinc/88/15/71/569881571.db2.gz	LFLLWNKHEJRQIR-SFHVURJKSA-N	-1	0	451.434	4.860	50	70		JJIARM
COC(=O)C[C@@H](c1ccc(OCCc2ccc3c(c2)CCO3)cc1)c1c([O-])c2ccccc2oc1=O	ZINC000217942986	569882199	/nfs/dbraw/zinc/88/21/99/569882199.db2.gz	JUQKCDFUEQLAPV-QHCPKHFHSA-N	-1	0	486.520	4.750	50	70		JJIARM
COC(=O)C[C@H](c1ccccc1OCCc1ccc(OC)cc1)c1c([O-])c2ccccc2oc1=O	ZINC000217804773	569881714	/nfs/dbraw/zinc/88/17/14/569881714.db2.gz	QFNFCHZRSPCNCP-JOCHJYFZSA-N	-1	0	474.509	4.824	50	70		JJIARM
O=C1C[C@H](c2cccc(OC(F)F)c2)c2c(cc([O-])c3c(=O)cc(-c4ccc(O)cc4)oc32)O1	ZINC000217854525	569881883	/nfs/dbraw/zinc/88/18/83/569881883.db2.gz	GLEGQBGZCGVDTE-MRXNPFEDSA-N	-1	0	466.392	4.914	50	70		JJIARM
O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1cc(Cl)ccc1O	ZINC000218112063	569882766	/nfs/dbraw/zinc/88/27/66/569882766.db2.gz	SWWFRWHBZNAXNA-HSZRJFAPSA-N	-1	0	461.905	4.579	50	70		JJIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](C2=Cc3ccccc3OC2)CC(=O)O4)cc1O	ZINC000217596318	569880450	/nfs/dbraw/zinc/88/04/50/569880450.db2.gz	RIPOTKSOUVGDGS-QGZVFWFLSA-N	-1	0	484.460	4.749	50	70		JJIARM
O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)Nc1cc(Cl)ccc1O	ZINC000218112149	569882697	/nfs/dbraw/zinc/88/26/97/569882697.db2.gz	SWWFRWHBZNAXNA-QHCPKHFHSA-N	-1	0	461.905	4.579	50	70		JJIARM
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc([O-])c1-3)[C@@H](c1cc(F)c(F)c(F)c1)CC(=O)O2	ZINC000217642788	569880824	/nfs/dbraw/zinc/88/08/24/569880824.db2.gz	HZTOCWDBUYDPMO-CYBMUJFWSA-N	-1	0	454.356	4.730	50	70		JJIARM
COC(=O)C[C@@H](c1cccc(OC)c1OCCc1ccccc1)c1c([O-])c2ccccc2oc1=O	ZINC000217925361	569882140	/nfs/dbraw/zinc/88/21/40/569882140.db2.gz	NMMKTBDXTDONHJ-NRFANRHFSA-N	-1	0	474.509	4.824	50	70		JJIARM
O=c1cc(-c2ccc(O)cc2)oc2c1c([O-])cc1c2[C@@H](c2ccc(O)c(Cl)c2)CC(=O)O1	ZINC000217631407	569880706	/nfs/dbraw/zinc/88/07/06/569880706.db2.gz	SZWLFXWRZAIEMB-CQSZACIVSA-N	-1	0	450.830	4.671	50	70		JJIARM
O=c1cc(-c2ccc(O)cc2)oc2c1c([O-])cc1c2[C@@H](C2=Cc3ccccc3OC2)CC(=O)O1	ZINC000217732297	569881224	/nfs/dbraw/zinc/88/12/24/569881224.db2.gz	RUSIXEIDISQBEI-GOSISDBHSA-N	-1	0	454.434	4.740	50	70		JJIARM
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc(O)c1-3)[C@@H](c1ccnc3ccccc31)CC(=O)O2	ZINC000217801415	569881647	/nfs/dbraw/zinc/88/16/47/569881647.db2.gz	LFLLWNKHEJRQIR-GOSISDBHSA-N	-1	0	451.434	4.860	50	70		JJIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](c2ccccc2Cl)CC(=O)O4)cc1O	ZINC000217816849	569881662	/nfs/dbraw/zinc/88/16/62/569881662.db2.gz	MQLAUGAFUJNUMK-AWEZNQCLSA-N	-1	0	464.857	4.974	50	70		JJIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](c2ccc(O)c(Cl)c2)CC(=O)O4)cc1O	ZINC000217855357	569881877	/nfs/dbraw/zinc/88/18/77/569881877.db2.gz	WEKMFDYUMAHBSQ-CYBMUJFWSA-N	-1	0	480.856	4.680	50	70		JJIARM
COC(=O)C[C@H](c1ccccc1OCCc1ccc2c(c1)CCO2)c1c([O-])c2ccccc2oc1=O	ZINC000218022880	569882471	/nfs/dbraw/zinc/88/24/71/569882471.db2.gz	KJWHDTFEQSXXLE-JOCHJYFZSA-N	-1	0	486.520	4.750	50	70		JJIARM