smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1[n-]c(=O)nc2ccccc21)N1CCn2nc([C@@H](O)CO)cc2C1	ZINC000217151234	483856909	/nfs/dbraw/zinc/85/69/09/483856909.db2.gz	BKNJOEVRBMMNRA-AWEZNQCLSA-N	-1	3	355.354	-0.199	50	70		FBIAHM
O=C(c1[n-]c(=O)nc2ccccc21)N1CCn2nc([C@H](O)CO)cc2C1	ZINC000217151243	483856879	/nfs/dbraw/zinc/85/68/79/483856879.db2.gz	BKNJOEVRBMMNRA-CQSZACIVSA-N	-1	3	355.354	-0.199	50	70		FBIAHM
O=C(Cc1c[nH]c(=O)[n-]c1=O)NC[C@@H](c1cccnc1)N1CCOCC1	ZINC000217549776	527200081	/nfs/dbraw/zinc/20/00/81/527200081.db2.gz	QZWCKXIWNWIONM-AWEZNQCLSA-N	-1	3	359.386	-0.810	50	70		FBIAHM
O=C(Cc1c[nH]c(=O)[n-]c1=O)NC[C@H](c1cccnc1)N1CCOCC1	ZINC000217549857	527199982	/nfs/dbraw/zinc/19/99/82/527199982.db2.gz	QZWCKXIWNWIONM-CQSZACIVSA-N	-1	3	359.386	-0.810	50	70		FBIAHM
Cc1sc2nc(CCNC(=O)CN3CC(=O)[N-]C3=O)[nH]c(=O)c2c1C	ZINC000218226505	526891217	/nfs/dbraw/zinc/89/12/17/526891217.db2.gz	UGTRUWPTVGXRJT-UHFFFAOYSA-N	-1	3	363.399	-0.188	50	70		FBIAHM
Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)Cc2c[nH]c(=O)[n-]c2=O)cn1	ZINC000218233167	525471989	/nfs/dbraw/zinc/47/19/89/525471989.db2.gz	NCAPNVPMSZXWCQ-KGLIPLIRSA-N	-1	3	360.370	-0.338	50	70		FBIAHM
Nc1nnc([C@@H](NC(=O)Cc2c[nH]c(=O)[n-]c2=O)c2ccccc2)s1	ZINC000218300808	483861963	/nfs/dbraw/zinc/86/19/63/483861963.db2.gz	CWXUXKFNUKVHCW-NSHDSACASA-N	-1	3	358.383	-0.055	50	70		FBIAHM
Nc1nnc([C@H](NC(=O)Cc2c[nH]c(=O)[n-]c2=O)c2ccccc2)s1	ZINC000218300854	206368418	/nfs/dbraw/zinc/36/84/18/206368418.db2.gz	CWXUXKFNUKVHCW-LLVKDONJSA-N	-1	3	358.383	-0.055	50	70		FBIAHM
Nc1nc(CC(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)cc(=O)[n-]1	ZINC000218333914	527549719	/nfs/dbraw/zinc/54/97/19/527549719.db2.gz	GMNSSSHSLWICGH-ZIAGYGMSSA-N	-1	3	359.386	-0.220	50	70		FBIAHM
CC(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1[N-]S(=O)(=O)c1c(C)nn(C)c1Cl	ZINC000218476063	483862737	/nfs/dbraw/zinc/86/27/37/483862737.db2.gz	FEVYIHVOFSOFMF-LMLFDSFASA-N	-1	3	362.839	-0.048	50	70		FBIAHM
CSCC[C@@H](CO)NC(=O)CCc1c(C)[nH]c2cc(=O)[n-]n2c1=O	ZINC000218491525	525527099	/nfs/dbraw/zinc/52/70/99/525527099.db2.gz	PCXMXUHPEFMFAP-JTQLQIEISA-N	-1	3	354.432	-0.213	50	70		FBIAHM
Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)CN1CC(=O)[N-]C1=O	ZINC000218606923	483863455	/nfs/dbraw/zinc/86/34/55/483863455.db2.gz	SUJIXTCHXFLZCS-OLZOCXBDSA-N	-1	3	366.374	-0.366	50	70		FBIAHM