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)ccc1C(=C(Cl)Cl)c1ccc(Cl)cc1	ZINC000001530502	560181396	/nfs/dbraw/zinc/18/13/96/560181396.db2.gz	FLLUEFJGXSALFO-UHFFFAOYSA-N	-1	3	350.028	5.599	10	10	in-vitro	FKCEHM
[O-]c1c(Cl)ccc(C(=C(Cl)Cl)c2ccc(Cl)cc2)c1O	ZINC000001530502	560181394	/nfs/dbraw/zinc/18/13/94/560181394.db2.gz	FLLUEFJGXSALFO-UHFFFAOYSA-N	-1	3	350.028	5.599	10	10	in-vitro	FKCEHM
CC[C@@H](Nc1cc(C)ccc1OC)c1cc(Br)ccc1[O-]	ZINC000019914454	206327720	/nfs/dbraw/zinc/32/77/20/206327720.db2.gz	YSQPBNKYGMCJIA-CQSZACIVSA-N	-1	3	350.256	5.035	10	10		FKCEHM
[O-]c1c([C@@H](Nc2ccccn2)c2ccccc2)cc(Cl)c2cccnc12	ZINC000040384065	210186731	/nfs/dbraw/zinc/18/67/31/210186731.db2.gz	LQXDDYGFBJHSFV-IBGZPJMESA-N	-1	3	361.832	5.190	10	10		FKCEHM
[O-]c1c([C@H](Nc2ccccn2)c2ccccc2)cc(Cl)c2cccnc12	ZINC000040384068	210185983	/nfs/dbraw/zinc/18/59/83/210185983.db2.gz	LQXDDYGFBJHSFV-LJQANCHMSA-N	-1	3	361.832	5.190	10	10		FKCEHM
Cc1ccnc(N[C@@H](c2ccccc2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000045944389	210188249	/nfs/dbraw/zinc/18/82/49/210188249.db2.gz	SDLMSAAQZZMXTR-NRFANRHFSA-N	-1	3	355.441	5.154	10	10		FKCEHM
[O-]c1c([C@@H](Nc2ccccc2)c2ccccc2)cc(Cl)c2cccnc12	ZINC000045944494	210188531	/nfs/dbraw/zinc/18/85/31/210188531.db2.gz	KSHQQSHVJWNSFD-FQEVSTJZSA-N	-1	3	360.844	5.795	10	10		FKCEHM
[O-]c1c([C@H](Nc2ccccc2)c2ccccc2)cc(Cl)c2cccnc12	ZINC000045944497	220977525	/nfs/dbraw/zinc/97/75/25/220977525.db2.gz	KSHQQSHVJWNSFD-HXUWFJFHSA-N	-1	3	360.844	5.795	10	10		FKCEHM
[O-]c1c([C@H](Nc2ccccc2)c2ccccn2)cc(Cl)c2cccnc12	ZINC000045944503	210189207	/nfs/dbraw/zinc/18/92/07/210189207.db2.gz	OMIYOSUGMRAOEC-IBGZPJMESA-N	-1	3	361.832	5.190	10	10		FKCEHM
[O-]c1c([C@H](Nc2ccccc2)c2ccncc2)cc(Cl)c2cccnc12	ZINC000045944513	210188766	/nfs/dbraw/zinc/18/87/66/210188766.db2.gz	CDCSPFLHCORISF-LJQANCHMSA-N	-1	3	361.832	5.190	10	10		FKCEHM