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)(C)OC(=O)N1CCC(C(=O)C=C(O)c2cccc(Br)c2)CC1	ZINC000100175571	559131517	/nfs/dbraw/zinc/13/15/17/559131517.db2.gz	XKWPPRAWPJQLKY-UHFFFAOYSA-N	0	2	410.308	4.238	10	0		HIAELN
Cc1ccc(NC(=O)c2[nH]cnc2C(=O)Nc2ccc(Br)cc2)c(C)c1	ZINC000008556737	571080530	/nfs/dbraw/zinc/08/05/30/571080530.db2.gz	ZEHFAVGOTXROGW-UHFFFAOYSA-N	0	2	413.275	4.294	10	0		HIAELN
Cc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccc(Br)cc2)c(C)c1	ZINC000008556737	571080533	/nfs/dbraw/zinc/08/05/33/571080533.db2.gz	ZEHFAVGOTXROGW-UHFFFAOYSA-N	0	2	413.275	4.294	10	0		HIAELN
CC(C)(C)OC(=O)N1CCC(C(=O)C=C(O)c2ccc(Br)cc2)CC1	ZINC000100175607	559171865	/nfs/dbraw/zinc/17/18/65/559171865.db2.gz	HYPNRUMOHGUQHU-UHFFFAOYSA-N	0	2	410.308	4.238	10	0		HIAELN
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1	ZINC000001493488	560180867	/nfs/dbraw/zinc/18/08/67/560180867.db2.gz	GUTCYOKMCPFRGH-LJQANCHMSA-N	0	2	408.479	4.166	10	0	in-vitro	HIAELN
O=C(O)c1cn(Cc2c(F)cccc2Cl)c2cc(N3CCCC3)c(F)cc2c1=O	ZINC000057346454	526401606	/nfs/dbraw/zinc/40/16/06/526401606.db2.gz	SURDZHPYVXXQOV-UHFFFAOYSA-N	0	2	418.827	4.280	10	0		HIAELN
CC(C)[C@@H](CO)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)ccc21	ZINC000013682477	581097895	/nfs/dbraw/zinc/09/78/95/581097895.db2.gz	GKPAWDQEYZGYEO-LJQANCHMSA-N	0	2	417.864	4.272	10	0		HIAELN
O=S(=O)(Nc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1)c1cccs1	ZINC000032609950	527251404	/nfs/dbraw/zinc/25/14/04/527251404.db2.gz	MZQRNXMQJVTDFF-UHFFFAOYSA-N	0	2	401.444	4.405	10	0		HIAELN
CCCCCn1c(=O)c2ccc(C(=O)N3CCc4ccccc4C3)cc2[nH]c1=S	ZINC000003630051	568920907	/nfs/dbraw/zinc/92/09/07/568920907.db2.gz	QSABMABRCJUROQ-UHFFFAOYSA-N	0	2	407.539	4.448	10	0		HIAELN
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1	ZINC000003806787	560189658	/nfs/dbraw/zinc/18/96/58/560189658.db2.gz	GUTCYOKMCPFRGH-IBGZPJMESA-N	0	2	408.479	4.166	10	0	in-vitro	HIAELN
COc1ccc(C(=O)c2c(=O)c3c(O)cc(O)cc3oc2-c2ccc(OC)cc2)cc1	ZINC000077271689	568924283	/nfs/dbraw/zinc/92/42/83/568924283.db2.gz	ORTUTEQLHXVWNO-UHFFFAOYSA-N	0	2	418.401	4.119	10	0	in-vitro	HIAELN
O=S(=O)(Nc1cnc(Oc2ccccc2F)nc1)c1cccc(C(F)(F)F)c1	ZINC000224287990	569056789	/nfs/dbraw/zinc/05/67/89/569056789.db2.gz	HEPAMGPTEQQTCU-UHFFFAOYSA-N	0	2	413.352	4.228	10	0		HIAELN
O=S(=O)(Nc1cnc(Oc2ccccc2F)nc1)c1ccccc1C(F)(F)F	ZINC000224288070	569056785	/nfs/dbraw/zinc/05/67/85/569056785.db2.gz	DLISDCLHXQPGSP-UHFFFAOYSA-N	0	2	413.352	4.228	10	0		HIAELN
O=C(CC1CCCC1)N1CCC(c2nnc(C(=O)Nc3ccccc3F)s2)CC1	ZINC000033272958	559034428	/nfs/dbraw/zinc/03/44/28/559034428.db2.gz	KBWSLDUFZGCVIN-UHFFFAOYSA-N	0	2	416.522	4.216	10	0		HIAELN
O=S(=O)(Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1)c1cccs1	ZINC000032610326	527251765	/nfs/dbraw/zinc/25/17/65/527251765.db2.gz	DTWVHCBPZCMLIL-UHFFFAOYSA-N	0	2	401.444	4.405	10	0		HIAELN