smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1c(Br)cc(CN[C@@H](C)c2ccccc2)cc1Br	ZINC000010473931	560769443	/nfs/dbraw/zinc/76/94/43/560769443.db2.gz	ODDNDPZVOTZLSL-LBPRGKRZSA-N	0	3	413.153	5.461	20	0		HKADHN
CCOc1c(Br)cc(CN[C@H](C)c2ccccc2)cc1Br	ZINC000010473933	560769543	/nfs/dbraw/zinc/76/95/43/560769543.db2.gz	ODDNDPZVOTZLSL-GFCCVEGCSA-N	0	3	413.153	5.461	20	0		HKADHN
FC(F)(F)c1cccc(C2=CCN(CCc3ccc(-c4ccccc4)cc3)CC2)c1	ZINC000035826853	571317050	/nfs/dbraw/zinc/31/70/50/571317050.db2.gz	CNEWKIDCGDXBDE-UHFFFAOYSA-N	0	3	407.479	6.704	20	0	investigational	HKADHN
Cc1nc(CN2CCCC23CCN(c2cc(Cl)nc4ccccc42)CC3)cs1	ZINC001164692388	719803286	/nfs/dbraw/zinc/80/32/86/719803286.db2.gz	NROLGOHJXMCNFH-UHFFFAOYSA-N	0	3	412.990	5.288	20	0		HKADHN
Cc1nc(CN2CCCC23CCN(c2cc(C)c4ccc(C)c(C)c4n2)CC3)cs1	ZINC001164693114	719814084	/nfs/dbraw/zinc/81/40/84/719814084.db2.gz	UUSKTKPWFBIECK-UHFFFAOYSA-N	0	3	420.626	5.560	20	0		HKADHN
c1ccc(-c2cc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)nc3ccccc32)cc1	ZINC001164735097	720432053	/nfs/dbraw/zinc/43/20/53/720432053.db2.gz	VYZURGQGHORBLU-CLJLJLNGSA-N	0	3	406.533	5.150	20	0		HKADHN
c1ccc(-c2cc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)nc3ccccc32)cc1	ZINC001164735098	720432617	/nfs/dbraw/zinc/43/26/17/720432617.db2.gz	VYZURGQGHORBLU-FTJBHMTQSA-N	0	3	406.533	5.150	20	0		HKADHN
c1ccc(-c2cc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)nc3ccccc32)cc1	ZINC001164735099	720430967	/nfs/dbraw/zinc/43/09/67/720430967.db2.gz	VYZURGQGHORBLU-IZZNHLLZSA-N	0	3	406.533	5.150	20	0		HKADHN
c1ccc(-c2cc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)nc3ccccc32)cc1	ZINC001164735100	720431407	/nfs/dbraw/zinc/43/14/07/720431407.db2.gz	VYZURGQGHORBLU-UIOOFZCWSA-N	0	3	406.533	5.150	20	0		HKADHN
Fc1cccc(CN2CC[C@]23CCCN(c2cc(-c4ccnc(Cl)c4)ccn2)C3)c1	ZINC001164992629	722196275	/nfs/dbraw/zinc/19/62/75/722196275.db2.gz	AIDQMFFPPCKBGS-DEOSSOPVSA-N	0	3	422.935	5.181	20	0		HKADHN
Fc1cccc(CN2CC[C@@]23CCCN(c2cc(-c4ccnc(Cl)c4)ccn2)C3)c1	ZINC001164992633	722196176	/nfs/dbraw/zinc/19/61/76/722196176.db2.gz	AIDQMFFPPCKBGS-XMMPIXPASA-N	0	3	422.935	5.181	20	0		HKADHN