smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccc(OCC(C)C)cc1	ZINC000218023921	569455929	/nfs/dbraw/zinc/45/59/29/569455929.db2.gz	OQEKRUFAUBUDAE-QGZVFWFLSA-N	0	1	436.460	4.485	50	70	biogenic	IIIAMN
COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)cc5)oc-4c32)cc1	ZINC000217842955	569453985	/nfs/dbraw/zinc/45/39/85/569453985.db2.gz	AHMRJQSSDKKCSQ-KRWDZBQOSA-N	0	1	430.412	4.321	50	70	biogenic	IIIAMN
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc(O)c1-3)[C@H](c1ccc3c(c1)OCO3)CC(=O)O2	ZINC000217842527	569454001	/nfs/dbraw/zinc/45/40/01/569454001.db2.gz	ONLWJYIOTOFODR-HNNXBMFYSA-N	0	1	444.395	4.041	50	70	biogenic	IIIAMN
COc1ccccc1[C@H]1CC(=O)Oc2cc(=O)c3c(O)cc(-c4ccc(O)cc4)oc-3c21	ZINC000217874148	569454393	/nfs/dbraw/zinc/45/43/93/569454393.db2.gz	ABBKXMWUHVRDKA-MRXNPFEDSA-N	0	1	430.412	4.321	50	70	biogenic	IIIAMN
COC(=O)C[C@@H]1c2cccnc2Oc2cc(=O)c3c(O)c(-c4ccc(O)cc4)coc-3c21	ZINC000218101830	569456325	/nfs/dbraw/zinc/45/63/25/569456325.db2.gz	ZBRHFMLCCLFUMT-OAHLLOKOSA-N	0	1	431.400	4.067	50	70	biogenic	IIIAMN
COc1ccccc1[C@@H]1CC(=O)Oc2cc(=O)c3c(O)cc(-c4ccc(O)cc4)oc-3c21	ZINC000217874104	569454408	/nfs/dbraw/zinc/45/44/08/569454408.db2.gz	ABBKXMWUHVRDKA-INIZCTEOSA-N	0	1	430.412	4.321	50	70	biogenic	IIIAMN
COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)cc5)oc-4c32)cc1O	ZINC000217931907	569455033	/nfs/dbraw/zinc/45/50/33/569455033.db2.gz	RSEXLCKHBSINEK-OAHLLOKOSA-N	0	1	446.411	4.026	50	70	biogenic	IIIAMN
COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@H](c2cccs2)CC(=O)O4)cc1O	ZINC000217618492	569450291	/nfs/dbraw/zinc/45/02/91/569450291.db2.gz	FTRRSKAOACYDOP-LBPRGKRZSA-N	0	1	436.441	4.382	50	70	biogenic	IIIAMN
COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@H](c2cccc(O)c2)CC(=O)O4)cc1O	ZINC000217639720	569450686	/nfs/dbraw/zinc/45/06/86/569450686.db2.gz	HKMICCMLDQEJQG-HNNXBMFYSA-N	0	1	446.411	4.026	50	70	biogenic	IIIAMN
COC(=O)C[C@H]1c2cccnc2Oc2cc(=O)c3c(O)c(-c4ccc(O)cc4)coc-3c21	ZINC000218101914	569456337	/nfs/dbraw/zinc/45/63/37/569456337.db2.gz	ZBRHFMLCCLFUMT-HNNXBMFYSA-N	0	1	431.400	4.067	50	70	biogenic	IIIAMN
COC(=O)C[C@H]1c2cccnc2Oc2cc(=O)c3c([O-])cc(-c4ccc(O)cc4)oc-3c21	ZINC000217996539	569455625	/nfs/dbraw/zinc/45/56/25/569455625.db2.gz	OGLYFVWRFOPZRW-HNNXBMFYSA-N	0	1	431.400	4.067	50	70	biogenic	IIIAMN
COC(=O)C[C@H]1c2cccnc2Oc2cc(=O)c3c(O)cc(-c4ccc(O)cc4)oc-3c21	ZINC000217996539	569455626	/nfs/dbraw/zinc/45/56/26/569455626.db2.gz	OGLYFVWRFOPZRW-HNNXBMFYSA-N	0	1	431.400	4.067	50	70	biogenic	IIIAMN
COC(=O)C[C@@H]1c2cccnc2Oc2cc(=O)c3c([O-])cc(-c4ccc(O)cc4)oc-3c21	ZINC000217996455	569455631	/nfs/dbraw/zinc/45/56/31/569455631.db2.gz	OGLYFVWRFOPZRW-OAHLLOKOSA-N	0	1	431.400	4.067	50	70	biogenic	IIIAMN
COC(=O)C[C@@H]1c2cccnc2Oc2cc(=O)c3c(O)cc(-c4ccc(O)cc4)oc-3c21	ZINC000217996455	569455632	/nfs/dbraw/zinc/45/56/32/569455632.db2.gz	OGLYFVWRFOPZRW-OAHLLOKOSA-N	0	1	431.400	4.067	50	70	biogenic	IIIAMN
COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@@H](c2cccs2)CC(=O)O4)cc1O	ZINC000217618418	569450287	/nfs/dbraw/zinc/45/02/87/569450287.db2.gz	FTRRSKAOACYDOP-GFCCVEGCSA-N	0	1	436.441	4.382	50	70	biogenic	IIIAMN
COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@H](c2ccccc2)CC(=O)O4)cc1O	ZINC000217767273	569452998	/nfs/dbraw/zinc/45/29/98/569452998.db2.gz	CLPBXNVDMGVFLQ-HNNXBMFYSA-N	0	1	430.412	4.321	50	70	biogenic	IIIAMN
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc(O)c1-3)[C@@H](c1ccc3c(c1)OCO3)CC(=O)O2	ZINC000217842613	569454023	/nfs/dbraw/zinc/45/40/23/569454023.db2.gz	ONLWJYIOTOFODR-OAHLLOKOSA-N	0	1	444.395	4.041	50	70	biogenic	IIIAMN
CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccc(OC(F)(F)F)cc1	ZINC000217961670	569455321	/nfs/dbraw/zinc/45/53/21/569455321.db2.gz	WJXJWOYFUFBXNF-ZDUSSCGKSA-N	0	1	448.349	4.349	50	70	biogenic	IIIAMN
CCCCc1nc(C)sc1C(=O)NC1CCN(Cc2ccc(OC)c(OC)c2)CC1	ZINC000218127310	557177233	/nfs/dbraw/zinc/17/72/33/557177233.db2.gz	RSBLOZBJZNHNRJ-UHFFFAOYSA-N	0	1	431.602	4.206	50	70		IIIAMN
COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@@H](c2ccccc2)CC(=O)O4)cc1O	ZINC000217767200	569453006	/nfs/dbraw/zinc/45/30/06/569453006.db2.gz	CLPBXNVDMGVFLQ-OAHLLOKOSA-N	0	1	430.412	4.321	50	70	biogenic	IIIAMN
COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)cc5)oc-4c32)cc1	ZINC000217843023	569454039	/nfs/dbraw/zinc/45/40/39/569454039.db2.gz	AHMRJQSSDKKCSQ-QGZVFWFLSA-N	0	1	430.412	4.321	50	70	biogenic	IIIAMN
CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccc(OCC(C)C)cc1	ZINC000218023829	569455947	/nfs/dbraw/zinc/45/59/47/569455947.db2.gz	OQEKRUFAUBUDAE-KRWDZBQOSA-N	0	1	436.460	4.485	50	70	biogenic	IIIAMN
Cn1c(CCCNC(=O)c2c[nH]c3ccc(OC(F)(F)F)cc3c2=O)nc2ccccc21	ZINC000218557751	557207304	/nfs/dbraw/zinc/20/73/04/557207304.db2.gz	PKZMUKIBELFUBL-UHFFFAOYSA-N	0	1	444.413	4.088	50	70		IIIAMN
CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccc(OC(F)(F)F)cc1	ZINC000217961741	569455279	/nfs/dbraw/zinc/45/52/79/569455279.db2.gz	WJXJWOYFUFBXNF-CYBMUJFWSA-N	0	1	448.349	4.349	50	70	biogenic	IIIAMN
COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)cc5)oc-4c32)cc1O	ZINC000217931826	569455065	/nfs/dbraw/zinc/45/50/65/569455065.db2.gz	RSEXLCKHBSINEK-HNNXBMFYSA-N	0	1	446.411	4.026	50	70	biogenic	IIIAMN
COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@@H](c2cccc(O)c2)CC(=O)O4)cc1O	ZINC000217639627	569450713	/nfs/dbraw/zinc/45/07/13/569450713.db2.gz	HKMICCMLDQEJQG-OAHLLOKOSA-N	0	1	446.411	4.026	50	70	biogenic	IIIAMN