smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cc(-c2ccccc2Cl)oc2c(NS(=O)(=O)c3ccccc3)ccc(O)c12	ZINC000028641472	563060258	/nfs/dbraw/zinc/06/02/58/563060258.db2.gz	TYKGZHMHQFSJBQ-UHFFFAOYSA-N	0	2	427.865	4.620	1	10		IJCFLN
CCCCC[C@H](OC)c1c(O)cc2c(c1O)C(=O)c1c(O)c(Cl)c(OC)cc1C2=O	ZINC000084689975	563176318	/nfs/dbraw/zinc/17/63/18/563176318.db2.gz	ZASRCJJQHPCHMP-ZDUSSCGKSA-N	0	2	434.872	4.509	1	10		IJCFLN
CC(C)=CCc1cc(-c2oc3c4c(cc(=O)c-3c(O)c2O)O[C@@H](C)C4(C)C)cc(O)c1O	ZINC000013380014	291388233	/nfs/dbraw/zinc/38/82/33/291388233.db2.gz	SOQFBCLXNNQJDD-LBPRGKRZSA-N	0	2	438.476	4.850	1	10	biogenic,in-vitro	IJCFLN
CC(C)=CCCc1c(O)cc2oc3cc(O)c(O)c(CCCC(C)(C)O)c3c(=O)c2c1O	ZINC000095099123	291387823	/nfs/dbraw/zinc/38/78/23/291387823.db2.gz	JQCKGYUXMNYXDA-UHFFFAOYSA-N	0	2	442.508	4.761	1	10	biogenic,in-vitro	IJCFLN
CC(C)=CCCc1c(=O)cc2oc3cc(O)c(O)c(CCCC(C)(C)O)c3c(O)c-2c1O	ZINC000095099123	291387824	/nfs/dbraw/zinc/38/78/24/291387824.db2.gz	JQCKGYUXMNYXDA-UHFFFAOYSA-N	0	2	442.508	4.761	1	10	biogenic,in-vitro	IJCFLN
Cc1cc(C(=O)c2ccc3ccc(/C=C/c4ccc(O)c(O)c4)nc3c2O)ccc1[N+](=O)[O-]	ZINC000028462613	563055206	/nfs/dbraw/zinc/05/52/06/563055206.db2.gz	CIMPSTYPBQXKGE-FARCUNLSSA-N	0	2	442.427	4.970	1	10		IJCFLN
CC(C)=CCc1cc(-c2oc3c4c(cc(=O)c-3c(O)c2O)O[C@H](C)C4(C)C)cc(O)c1O	ZINC000013380013	562985908	/nfs/dbraw/zinc/98/59/08/562985908.db2.gz	SOQFBCLXNNQJDD-GFCCVEGCSA-N	0	2	438.476	4.850	1	10		IJCFLN
O=C(c1ccc2ccc(/C=C/c3ccc(O)c(O)c3)nc2c1O)c1ccccc1[N+](=O)[O-]	ZINC000028461398	563055121	/nfs/dbraw/zinc/05/51/21/563055121.db2.gz	GNBVLVYZMSESIQ-WEVVVXLNSA-N	0	2	428.400	4.661	1	10		IJCFLN
CC(C)=CCc1c(O)c2c(=O)cc3c(c-2oc1-c1cc(O)c(O)cc1O)C=CC(C)(C)O3	ZINC000003644941	562937312	/nfs/dbraw/zinc/93/73/12/562937312.db2.gz	HDHRTQZSBFUBMJ-UHFFFAOYSA-N	0	2	436.460	4.975	1	10	endogenous,in-man	IJCFLN
O=C(c1ccc([N+](=O)[O-])cc1)c1ccc2ccc(/C=C/c3ccc(O)c(O)c3)nc2c1O	ZINC000028461041	563055098	/nfs/dbraw/zinc/05/50/98/563055098.db2.gz	MWJORRZJVOFYKH-LREOWRDNSA-N	0	2	428.400	4.661	1	10		IJCFLN