smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1c(O)c(Cl)c(Cl)cc1Cl	ZINC000002010703	229249507	/nfs/dbraw/zinc/24/95/07/229249507.db2.gz	LZHZRJKVYOHNTJ-UHFFFAOYSA-N	-1	1	213.447	3.058	10	10	in-vitro	BGCEMM
[O-]c1ccc(CNc2ccc(O)cc2)cc1Cl	ZINC000043479774	183276289	/nfs/dbraw/zinc/27/62/89/183276289.db2.gz	FIQYQUWYMOTSPP-UHFFFAOYSA-N	-1	1	249.697	3.363	10	10		BGCEMM
Cc1ccccc1C=C1SC(=O)[N-]C1=S	ZINC000072414695	179244391	/nfs/dbraw/zinc/24/43/91/179244391.db2.gz	MLHULGFEDCCQGB-TWGQIWQCSA-N	-1	1	235.333	3.120	10	10		BGCEMM
O=C1C=CC(=NNc2ccccc2O)C([O-])=C1	ZINC000111392437	368856831	/nfs/dbraw/zinc/85/68/31/368856831.db2.gz	UYZDJWAAXREYDP-BUHFOSPRSA-N	-1	1	230.223	3.219	10	10		BGCEMM
[N-]=[N+]=NC=C([O-])c1sccc1Br	ZINC000130733078	368138575	/nfs/dbraw/zinc/13/85/75/368138575.db2.gz	BOVLOAWOEDXIDL-UHFFFAOYSA-N	-1	1	246.089	3.004	10	10		BGCEMM
CCC1(CC)C(=O)c2cc([O-])c(C)c(C)c2C1=O	ZINC000143446843	345901593	/nfs/dbraw/zinc/90/15/93/345901593.db2.gz	WAVATIINWMDKFZ-UHFFFAOYSA-N	-1	1	246.306	3.194	10	10		BGCEMM
CCCN(Cc1cccc(F)c1[O-])CC(F)F	ZINC000272285961	169175170	/nfs/dbraw/zinc/17/51/70/169175170.db2.gz	NIUNIKCZRPJRJM-UHFFFAOYSA-N	-1	1	247.260	3.008	10	10		BGCEMM
CC(C)N(Cc1cccc(F)c1[O-])CC(F)F	ZINC000272458394	187399800	/nfs/dbraw/zinc/39/98/00/187399800.db2.gz	QKKUBCYHHFBAFP-UHFFFAOYSA-N	-1	1	247.260	3.007	10	10		BGCEMM
Cc1[n-]c(=NN)sc1N=Nc1ccccc1	ZINC000584611670	358275725	/nfs/dbraw/zinc/27/57/25/358275725.db2.gz	OQFMQBGVEYKPJO-CCEZHUSRSA-N	-1	1	233.300	3.153	10	10		BGCEMM