smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@@H](c2cccc(OC(F)F)c2)CC(=O)O4)cc1O	ZINC000217731696	569881275	/nfs/dbraw/zinc/88/12/75/569881275.db2.gz	QAGUEXRLLNNACK-OAHLLOKOSA-N	0	1	496.418	4.922	50	70		JJIAMN
O=C(CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)Nc1ccc2nc[nH]c2c1	ZINC000217900310	569882079	/nfs/dbraw/zinc/88/20/79/569882079.db2.gz	YCVOLKCFCMHELK-SANMLTNESA-N	0	1	479.540	4.877	50	70		JJIAMN
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc(O)c1-3)[C@H](C1=Cc3ccccc3OC1)CC(=O)O2	ZINC000217732215	569881248	/nfs/dbraw/zinc/88/12/48/569881248.db2.gz	RUSIXEIDISQBEI-SFHVURJKSA-N	0	1	454.434	4.740	50	70		JJIAMN
COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@@H](c2ccccc2Cl)CC(=O)O4)cc1O	ZINC000217816768	569881719	/nfs/dbraw/zinc/88/17/19/569881719.db2.gz	MQLAUGAFUJNUMK-CQSZACIVSA-N	0	1	464.857	4.974	50	70		JJIAMN
COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@H](c2ccc3ncccc3c2)CC(=O)O4)cc1O	ZINC000217849464	569881845	/nfs/dbraw/zinc/88/18/45/569881845.db2.gz	ASHOMEIBMBDCGE-KRWDZBQOSA-N	0	1	481.460	4.869	50	70		JJIAMN
CC(C)c1nc2ccc(NC(=O)CCN3C(=O)c4ccccc4N4C(=O)c5ccccc5[C@@H]43)cc2[nH]1	ZINC000217768077	569881415	/nfs/dbraw/zinc/88/14/15/569881415.db2.gz	MMEFKWAEXBIEIV-AREMUKBSSA-N	0	1	479.540	4.830	50	70		JJIAMN
COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@@H](c2ccc3ncccc3c2)CC(=O)O4)cc1O	ZINC000217849388	569881826	/nfs/dbraw/zinc/88/18/26/569881826.db2.gz	ASHOMEIBMBDCGE-QGZVFWFLSA-N	0	1	481.460	4.869	50	70		JJIAMN
COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@@H](c2ccnc3ccccc32)CC(=O)O4)cc1O	ZINC000217919311	569882113	/nfs/dbraw/zinc/88/21/13/569882113.db2.gz	IYDYMABVACHIPF-QGZVFWFLSA-N	0	1	481.460	4.869	50	70		JJIAMN
COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@H](c2ccnc3ccccc32)CC(=O)O4)cc1O	ZINC000217919395	569882122	/nfs/dbraw/zinc/88/21/22/569882122.db2.gz	IYDYMABVACHIPF-KRWDZBQOSA-N	0	1	481.460	4.869	50	70		JJIAMN
COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@H](c2cccc(OC(F)F)c2)CC(=O)O4)cc1O	ZINC000217731778	569881240	/nfs/dbraw/zinc/88/12/40/569881240.db2.gz	QAGUEXRLLNNACK-HNNXBMFYSA-N	0	1	496.418	4.922	50	70		JJIAMN
O=C(CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1ccc2nc[nH]c2c1	ZINC000217900224	569882065	/nfs/dbraw/zinc/88/20/65/569882065.db2.gz	YCVOLKCFCMHELK-AREMUKBSSA-N	0	1	479.540	4.877	50	70		JJIAMN
COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@H](C2=Cc3ccccc3OC2)CC(=O)O4)cc1O	ZINC000217596395	569880397	/nfs/dbraw/zinc/88/03/97/569880397.db2.gz	RIPOTKSOUVGDGS-KRWDZBQOSA-N	0	1	484.460	4.749	50	70		JJIAMN
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc(O)c1-3)[C@H](c1cccc(OC(F)F)c1)CC(=O)O2	ZINC000217854432	569881914	/nfs/dbraw/zinc/88/19/14/569881914.db2.gz	GLEGQBGZCGVDTE-INIZCTEOSA-N	0	1	466.392	4.914	50	70		JJIAMN
CC(C)c1nc2ccc(NC(=O)CCN3C(=O)c4ccccc4N4C(=O)c5ccccc5[C@H]43)cc2[nH]1	ZINC000217768165	569881435	/nfs/dbraw/zinc/88/14/35/569881435.db2.gz	MMEFKWAEXBIEIV-SANMLTNESA-N	0	1	479.540	4.830	50	70		JJIAMN
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc(O)c1-3)[C@@H](c1cccc(OC(F)F)c1)CC(=O)O2	ZINC000217854525	569881885	/nfs/dbraw/zinc/88/18/85/569881885.db2.gz	GLEGQBGZCGVDTE-MRXNPFEDSA-N	0	1	466.392	4.914	50	70		JJIAMN
COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@@H](C2=Cc3ccccc3OC2)CC(=O)O4)cc1O	ZINC000217596318	569880452	/nfs/dbraw/zinc/88/04/52/569880452.db2.gz	RIPOTKSOUVGDGS-QGZVFWFLSA-N	0	1	484.460	4.749	50	70		JJIAMN
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc(O)c1-3)[C@@H](C1=Cc3ccccc3OC1)CC(=O)O2	ZINC000217732297	569881225	/nfs/dbraw/zinc/88/12/25/569881225.db2.gz	RUSIXEIDISQBEI-GOSISDBHSA-N	0	1	454.434	4.740	50	70		JJIAMN
COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@H](c2ccccc2Cl)CC(=O)O4)cc1O	ZINC000217816849	569881664	/nfs/dbraw/zinc/88/16/64/569881664.db2.gz	MQLAUGAFUJNUMK-AWEZNQCLSA-N	0	1	464.857	4.974	50	70		JJIAMN