smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(COC(=O)c1ccc2c(c1)OCO2)CC1=C([O-])C(=O)c2ccccc2C1=O	ZINC000014454969	291247782	/nfs/dbraw/zinc/24/77/82/291247782.db2.gz	QWHPVCGUVBLEQF-UHFFFAOYSA-N	-1	1	408.406	3.880	1	30	biogenic,in-vitro	HHEFMM
Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(=O)NC(C)(C)C)cc1	ZINC000013589648	560219903	/nfs/dbraw/zinc/21/99/03/560219903.db2.gz	SILRUCMXYIKULW-UHFFFAOYSA-N	-1	1	406.464	3.638	1	30	in-vitro	HHEFMM
CC(=O)OC[C@@H](C)c1c([O-])c(O)c2c(c1O)C(=O)C(=O)C1C(C)(C)CCC[C@]21C	ZINC000032286518	291247399	/nfs/dbraw/zinc/24/73/99/291247399.db2.gz	ZICYNZADARYFDP-ZQJOYCHOSA-N	-1	1	404.459	3.946	1	30	biogenic,in-vitro	HHEFMM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCCC[C@@H]31)O[C@@H]2C	ZINC000085594144	291256852	/nfs/dbraw/zinc/25/68/52/291256852.db2.gz	AVCZZNYPXNMWHX-NODARDGRSA-N	-1	1	414.454	3.705	1	30	biogenic,in-vitro	HHEFMM
CC(C)(COC(=O)c1ccc2c(c1)OCO2)CC1=C([O-])C(=O)c2ccccc2C1=O	ZINC000100076936	291247808	/nfs/dbraw/zinc/24/78/08/291247808.db2.gz	OBJIGRUMXMZJRX-UHFFFAOYSA-N	-1	1	408.406	3.723	1	30	biogenic,in-vitro	HHEFMM
C=CC(C)(C)c1c2c(c(O)c3c(=O)c4ccc([O-])c(O)c4oc13)C[C@@H](C(C)(C)O)O2	ZINC000013412052	291246818	/nfs/dbraw/zinc/24/68/18/291246818.db2.gz	YWCIWVYWWAGGTH-ZDUSSCGKSA-N	-1	1	412.438	3.601	1	30	biogenic,in-vitro	HHEFMM
CC[C@@H](C)C(=O)Oc1c(O)c(OC)c([O-])c(C(=O)/C=C/c2ccccc2)c1OC	ZINC000014640449	291250194	/nfs/dbraw/zinc/25/01/94/291250194.db2.gz	BICSVVFMOSJUCU-XZHRJIJLSA-N	-1	1	400.427	3.963	1	30	biogenic,in-vitro	HHEFMM
COc1c([O-])c(C(=O)/C=C\c2ccccc2)c(OC)c(OC(=O)CC(C)C)c1O	ZINC000095919326	291252039	/nfs/dbraw/zinc/25/20/39/291252039.db2.gz	YABVHCBUBNHULG-KHPPLWFESA-N	-1	1	400.427	3.963	1	30	biogenic,in-vitro	HHEFMM