smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c32)cc1	ZINC000217842955	569453987	/nfs/dbraw/zinc/45/39/87/569453987.db2.gz	AHMRJQSSDKKCSQ-KRWDZBQOSA-N	0	2	430.412	4.321	50	70	biogenic	IIIALN
O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc1c2[C@H](c2ccc3c(c2)OCO3)CC(=O)O1	ZINC000217842527	569454002	/nfs/dbraw/zinc/45/40/02/569454002.db2.gz	ONLWJYIOTOFODR-HNNXBMFYSA-N	0	2	444.395	4.041	50	70	biogenic	IIIALN
COc1ccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c32)cc1O	ZINC000217931907	569455034	/nfs/dbraw/zinc/45/50/34/569455034.db2.gz	RSEXLCKHBSINEK-OAHLLOKOSA-N	0	2	446.411	4.026	50	70	biogenic	IIIALN
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@H](c2cccs2)CC(=O)O4)cc1O	ZINC000217618492	569450292	/nfs/dbraw/zinc/45/02/92/569450292.db2.gz	FTRRSKAOACYDOP-LBPRGKRZSA-N	0	2	436.441	4.382	50	70	biogenic	IIIALN
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@H](c2cccc(O)c2)CC(=O)O4)cc1O	ZINC000217639720	569450687	/nfs/dbraw/zinc/45/06/87/569450687.db2.gz	HKMICCMLDQEJQG-HNNXBMFYSA-N	0	2	446.411	4.026	50	70	biogenic	IIIALN
COc1ccc2[nH]c3c(c2c1)CCN([C@H](c1ccccc1)C1Sc2nc(C)nn2C1=O)C3	ZINC000218418857	557198318	/nfs/dbraw/zinc/19/83/18/557198318.db2.gz	UGVIKVLWZZFLLR-OAQYLSRUSA-N	0	2	445.548	4.442	50	70	biogenic	IIIALN
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@@H](c2cccs2)CC(=O)O4)cc1O	ZINC000217618418	569450288	/nfs/dbraw/zinc/45/02/88/569450288.db2.gz	FTRRSKAOACYDOP-GFCCVEGCSA-N	0	2	436.441	4.382	50	70	biogenic	IIIALN
COc1ccc2[nH]c3c(c2c1)CCN([C@@H](c1ccccc1)C1Sc2nc(C)nn2C1=O)C3	ZINC000218418929	557198368	/nfs/dbraw/zinc/19/83/68/557198368.db2.gz	UGVIKVLWZZFLLR-NRFANRHFSA-N	0	2	445.548	4.442	50	70	biogenic	IIIALN
O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc1c2[C@@H](c2ccc3c(c2)OCO3)CC(=O)O1	ZINC000217842613	569454024	/nfs/dbraw/zinc/45/40/24/569454024.db2.gz	ONLWJYIOTOFODR-OAHLLOKOSA-N	0	2	444.395	4.041	50	70	biogenic	IIIALN
COc1ccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c32)cc1	ZINC000217843023	569454041	/nfs/dbraw/zinc/45/40/41/569454041.db2.gz	AHMRJQSSDKKCSQ-QGZVFWFLSA-N	0	2	430.412	4.321	50	70	biogenic	IIIALN
COc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)ccc2ccccc21	ZINC000217461224	569446318	/nfs/dbraw/zinc/44/63/18/569446318.db2.gz	DWPXUCZLQGAQIR-UHFFFAOYSA-N	0	2	437.477	4.198	50	70		IIIALN
COc1ccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c32)cc1O	ZINC000217931826	569455066	/nfs/dbraw/zinc/45/50/66/569455066.db2.gz	RSEXLCKHBSINEK-HNNXBMFYSA-N	0	2	446.411	4.026	50	70	biogenic	IIIALN
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@@H](c2cccc(O)c2)CC(=O)O4)cc1O	ZINC000217639627	569450714	/nfs/dbraw/zinc/45/07/14/569450714.db2.gz	HKMICCMLDQEJQG-OAHLLOKOSA-N	0	2	446.411	4.026	50	70	biogenic	IIIALN