smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2nc([N-]N=C3C(=O)NC(=O)NC3=O)n(Cc3cccc4ccccc43)c2c(=O)[nH]c1=O	ZINC000009244058	527123512	/nfs/dbraw/zinc/12/35/12/527123512.db2.gz	RQRRZVIIBPPGAV-UHFFFAOYSA-N	-1	1	460.410	-0.241	50	30		JBEAMM
Cn1c2nc([N-]N=C3C(=O)N(C)C(=O)N(C)C3=O)n(CCCOc3ccccc3)c2c(=O)[nH]c1=O	ZINC000009849193	527123285	/nfs/dbraw/zinc/12/32/85/527123285.db2.gz	XNNQRBHIBGCTDP-UHFFFAOYSA-N	-1	1	482.457	-0.289	50	30		JBEAMM
COc1ccc(CCn2c([N-]N=C3C(=O)N(C)C(=O)N(C)C3=O)nc3c2c(=O)[nH]c(=O)n3C)cc1	ZINC000009849197	523986014	/nfs/dbraw/zinc/98/60/14/523986014.db2.gz	DBWOTYCRRCLFOO-UHFFFAOYSA-N	-1	1	482.457	-0.507	50	30		JBEAMM
Cn1c([N-]N=C2C(=O)N(C)C(=O)N(C)C2=O)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C	ZINC000009849204	527076025	/nfs/dbraw/zinc/07/60/25/527076025.db2.gz	BHLNQYVWCNNTIL-UHFFFAOYSA-N	-1	1	452.431	-0.700	50	30		JBEAMM
Cn1c2nc([N-]N=C3C(=O)N(C)C(=O)N(C)C3=O)n(Cc3ccccc3)c2c(=O)n(C)c1=O	ZINC000009849205	527123046	/nfs/dbraw/zinc/12/30/46/527123046.db2.gz	BPFSJUOZJRTKHE-UHFFFAOYSA-N	-1	1	452.431	-0.700	50	30		JBEAMM
Cn1c([N-]N=C2C(=O)NC(=O)NC2=O)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C	ZINC000010272109	527076522	/nfs/dbraw/zinc/07/65/22/527076522.db2.gz	JRBWHZHSXANRKE-UHFFFAOYSA-N	-1	1	458.822	-0.731	50	30		JBEAMM
Cn1c([N-]N=C2C(=O)N(C)C(=O)N(C)C2=O)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C	ZINC000010272110	527074650	/nfs/dbraw/zinc/07/46/50/527074650.db2.gz	OEIMDZWPSYDEJF-UHFFFAOYSA-N	-1	1	486.876	-0.046	50	30		JBEAMM
C[C@@]1(O)c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([N+](C)(C)C)[C@@H]3C[C@@H]21	ZINC000013736610	555606105	/nfs/dbraw/zinc/60/61/05/555606105.db2.gz	JZXUOYAWEUAJQT-VKKJJJSGSA-O	-1	1	459.475	-0.070	50	30		JBEAMM
C=C1c2cccc(O)c2C(=O)[C@]2(F)C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	ZINC000071769469	569697669	/nfs/dbraw/zinc/69/76/69/569697669.db2.gz	WDVAYRKSRAEARQ-QXWMMVLTSA-N	-1	1	460.414	-0.973	50	30		JBEAMM
C=C1c2cccc(O)c2C(=O)[C@]2(F)C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]12	ZINC000071769470	569697720	/nfs/dbraw/zinc/69/77/20/569697720.db2.gz	WDVAYRKSRAEARQ-SLWGUWPJSA-N	-1	1	460.414	-0.973	50	30		JBEAMM
C=C1c2cccc(O)c2C(=O)[C@@]2(F)C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	ZINC000071769471	569697652	/nfs/dbraw/zinc/69/76/52/569697652.db2.gz	WDVAYRKSRAEARQ-FSVUJOFVSA-N	-1	1	460.414	-0.973	50	30		JBEAMM
C=C1c2cccc(O)c2C(=O)[C@@]2(F)C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]12	ZINC000071769472	569697705	/nfs/dbraw/zinc/69/77/05/569697705.db2.gz	WDVAYRKSRAEARQ-MVYQRWRFSA-N	-1	1	460.414	-0.973	50	30		JBEAMM
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC(=O)N[C@H](CO)C(=O)[O-])C1=O)O2	ZINC000253412755	570098067	/nfs/dbraw/zinc/09/80/67/570098067.db2.gz	RXNBWQWKZWVXBX-CRWKNCCESA-N	-1	1	488.449	-0.280	50	30	biogenic	JBEAMM
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC(=O)N[C@@H](CO)C(=O)[O-])C1=O)O2	ZINC000253412756	570098065	/nfs/dbraw/zinc/09/80/65/570098065.db2.gz	RXNBWQWKZWVXBX-RNCXNDHHSA-N	-1	1	488.449	-0.280	50	30	biogenic	JBEAMM