smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2NC(=O)/C(=C\c3cccc(Cl)c3Cl)C2=O)cc1	ZINC000040973238	208278461	/nfs/dbraw/zinc/27/84/61/208278461.db2.gz	HVNVHHLLVFFHNN-UKTHLTGXSA-N	0	2	363.200	3.463	1	10		FGCFLN
CN1CCCc2cc(Cn3cc(C(=O)O)c(=O)c4c(F)cccc43)ccc21	ZINC000071341507	536396365	/nfs/dbraw/zinc/39/63/65/536396365.db2.gz	LYLCSJKMZCHIMB-UHFFFAOYSA-N	0	2	366.392	3.270	1	10		FGCFLN
Cc1cc(C)c([C@@H](O)c2[nH+]c(C(=O)[O-])cc3cc(O)c(O)cc32)c(C)c1	ZINC000013490156	211035413	/nfs/dbraw/zinc/03/54/13/211035413.db2.gz	DFXPACOPQZCCMY-LJQANCHMSA-N	0	2	353.374	3.351	1	10		FGCFLN
Cc1cc(C)c([C@H](O)c2[nH+]c(C(=O)[O-])cc3cc(O)c(O)cc32)c(C)c1	ZINC000013490157	220070208	/nfs/dbraw/zinc/07/02/08/220070208.db2.gz	DFXPACOPQZCCMY-IBGZPJMESA-N	0	2	353.374	3.351	1	10		FGCFLN
C[N@@H+]1CCCC[C@H]1c1c([O-])cc2oc(C3=CC[C@@H](O)C=C3)cc(=O)c2c1O	ZINC000069482286	291068995	/nfs/dbraw/zinc/06/89/95/291068995.db2.gz	DRAZRISCPQMUES-KBPBESRZSA-N	0	2	369.417	3.065	1	10	biogenic,in-vitro	FGCFLN
C[N@H+]1CCCC[C@H]1c1c([O-])cc2oc(C3=CC[C@@H](O)C=C3)cc(=O)c2c1O	ZINC000069482286	291068996	/nfs/dbraw/zinc/06/89/96/291068996.db2.gz	DRAZRISCPQMUES-KBPBESRZSA-N	0	2	369.417	3.065	1	10	biogenic,in-vitro	FGCFLN
O=C1NC(=O)N(c2ccccc2)C(=O)C1=CCc1ccc2ccccc2n1	ZINC000038179509	136118566	/nfs/dbraw/zinc/11/85/66/136118566.db2.gz	HMVMIEFERIDYRM-GXDIDPINSA-N	0	2	357.369	3.423	1	10		FGCFLN
Cc1c(O)c(C(=O)CC(C)C)c2c(c1O)C(=O)c1cccc(O)c1C2=O	ZINC000095575365	209082043	/nfs/dbraw/zinc/08/20/43/209082043.db2.gz	JSBZNSHTZGINIT-UHFFFAOYSA-N	0	2	354.358	3.116	1	10		FGCFLN
CC(C)=CCc1c(O)c(O)ccc1-c1oc2cc(O)c(O)cc2c(=O)c1O	ZINC000014648331	560101114	/nfs/dbraw/zinc/10/11/14/560101114.db2.gz	NACBYUYHTLUWAI-UHFFFAOYSA-N	0	2	370.357	3.497	1	10	endogenous,in-man	FGCFLN
CC[C@H]1Cc2cc(O)c3c(c2C(=O)C1)C(=O)c1cccc(OC)c1C3=O	ZINC000013379077	560215783	/nfs/dbraw/zinc/21/57/83/560215783.db2.gz	JCMDNBJXOUWFMR-JTQLQIEISA-N	0	2	350.370	3.331	1	10	in-vitro	FGCFLN
CC(C)=CCc1c(O)cc(=O)c2c(O)cc(-c3ccc(O)c(O)c3O)oc1-2	ZINC000071281749	221338383	/nfs/dbraw/zinc/33/83/83/221338383.db2.gz	LXDCTBWIZNOCJO-UHFFFAOYSA-N	0	2	370.357	3.497	1	10		FGCFLN
CC(C)=CCc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3O)oc12	ZINC000071281749	221338384	/nfs/dbraw/zinc/33/83/84/221338384.db2.gz	LXDCTBWIZNOCJO-UHFFFAOYSA-N	0	2	370.357	3.497	1	10		FGCFLN
CC(C)C(=O)Oc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12	ZINC000064454033	212039085	/nfs/dbraw/zinc/03/90/85/212039085.db2.gz	PQFJRDPDYDMRGJ-UHFFFAOYSA-N	0	2	356.330	3.138	1	10		FGCFLN