smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=O)C[N@H+]1CCCC12CCN(c1ncc(C(=O)OC)cc1S(=O)(=O)F)CC2	ZINC001164691092	719754796	/nfs/dbraw/zinc/75/47/96/719754796.db2.gz	LGCMGCZZCKIFMO-UHFFFAOYSA-N	1	2	428.486	0.707	20	70		ICIDLO
CNC(=O)C[N@@H+]1CCCC12CCN(c1ncc(C(=O)OC)cc1S(=O)(=O)F)CC2	ZINC001164691092	719754783	/nfs/dbraw/zinc/75/47/83/719754783.db2.gz	LGCMGCZZCKIFMO-UHFFFAOYSA-N	1	2	428.486	0.707	20	70		ICIDLO
Cc1cc(S(=O)(=O)F)cnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1	ZINC001164712071	720049696	/nfs/dbraw/zinc/04/96/96/720049696.db2.gz	JNBLTTJJWPYSGA-UHFFFAOYSA-N	1	2	436.513	0.732	20	70		ICIDLO
Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(S(=O)(=O)F)nn1)C2	ZINC001164830033	720472332	/nfs/dbraw/zinc/47/23/32/720472332.db2.gz	IUQRGPQJDURKID-AWEZNQCLSA-N	1	2	440.501	0.321	20	70		ICIDLO
Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(S(=O)(=O)F)nn1)C2	ZINC001164830047	720472139	/nfs/dbraw/zinc/47/21/39/720472139.db2.gz	IUQRGPQJDURKID-CQSZACIVSA-N	1	2	440.501	0.321	20	70		ICIDLO
Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(S(=O)(=O)F)ccn1)C2	ZINC001164831077	720483719	/nfs/dbraw/zinc/48/37/19/720483719.db2.gz	FGGBVVZZMYAXHQ-HNNXBMFYSA-N	1	2	439.513	0.926	20	70		ICIDLO
Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(S(=O)(=O)F)ccn1)C2	ZINC001164831079	720483729	/nfs/dbraw/zinc/48/37/29/720483729.db2.gz	FGGBVVZZMYAXHQ-OAHLLOKOSA-N	1	2	439.513	0.926	20	70		ICIDLO