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([O-])[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1	ZINC001594948970	954942589	/nfs/dbraw/zinc/94/25/89/954942589.db2.gz	PYHHPXPXCJGSQP-QMMMGPOBSA-N	-1	0	306.271	-0.402	20	70		DBIDRM
CC(C)C[C@@H](CO)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000160920012	519223280	/nfs/dbraw/zinc/22/32/80/519223280.db2.gz	WPJDQDGIJCOQGZ-VIFPVBQESA-N	-1	0	306.322	-0.252	20	70		DBIDRM
C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H](C(=O)[O-])O1	ZINC001599924550	985182576	/nfs/dbraw/zinc/18/25/76/985182576.db2.gz	NKVOBEAHYKHLSI-RCOVLWMOSA-N	-1	0	320.298	-0.013	20	70		DBIDRM
COCCN(CC(=O)[O-])C(=O)c1cc(S(=O)(=O)F)c[nH]1	ZINC001599234056	997914203	/nfs/dbraw/zinc/91/42/03/997914203.db2.gz	DIQASIUFPWMIHU-UHFFFAOYSA-N	-1	0	308.287	-0.154	20	70		DBIDRM
O=C([O-])[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1	ZINC001594948967	954942404	/nfs/dbraw/zinc/94/24/04/954942404.db2.gz	PYHHPXPXCJGSQP-MRVPVSSYSA-N	-1	0	306.271	-0.402	20	70		DBIDRM
Cn1cc(C#N)c([N-]S(=O)(=O)CCCS(=O)(=O)F)n1	ZINC000460088636	269934464	/nfs/dbraw/zinc/93/44/64/269934464.db2.gz	MUSBECGTVGCZRW-UHFFFAOYSA-N	-1	0	310.332	-0.277	20	70		DBIDRM
CN(C)CCN(CC(=O)[O-])C(=O)c1cc(S(=O)(=O)F)c[nH]1	ZINC001593699870	954102099	/nfs/dbraw/zinc/10/20/99/954102099.db2.gz	NPDIHDANCNUREN-UHFFFAOYSA-N	-1	0	321.330	-0.239	20	70		DBIDRM
O=C([O-])[C@@]1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCOC1	ZINC001594724437	956988565	/nfs/dbraw/zinc/98/85/65/956988565.db2.gz	WHRZFEUKCKMYGF-SNVBAGLBSA-N	-1	0	306.271	-0.354	20	70		DBIDRM
O=C([O-])[C@]1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCOC1	ZINC001594724436	956989236	/nfs/dbraw/zinc/98/92/36/956989236.db2.gz	WHRZFEUKCKMYGF-JTQLQIEISA-N	-1	0	306.271	-0.354	20	70		DBIDRM
COC[C@](C)(NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)[O-]	ZINC001599152803	998319587	/nfs/dbraw/zinc/31/95/87/998319587.db2.gz	XEOHDMWWYXXXSS-JTQLQIEISA-N	-1	0	308.287	-0.108	20	70		DBIDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)CCCS(=O)(=O)F	ZINC000460088579	268130604	/nfs/dbraw/zinc/13/06/04/268130604.db2.gz	MDQAICAMKBWHSE-UHFFFAOYSA-N	-1	0	310.332	-0.277	20	70		DBIDRM
CC(C)C[C@H](CO)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000160920130	519362263	/nfs/dbraw/zinc/36/22/63/519362263.db2.gz	WPJDQDGIJCOQGZ-SECBINFHSA-N	-1	0	306.322	-0.252	20	70		DBIDRM
O=C([O-])CNC(=O)COC(=O)c1ccc(S(=O)(=O)F)cc1	ZINC001602070389	971134690	/nfs/dbraw/zinc/13/46/90/971134690.db2.gz	XXILTJHCAAPZOT-UHFFFAOYSA-N	-1	0	319.266	-0.298	20	70		DBIDRM
COC[C@@](C)(NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)[O-]	ZINC001599152805	998319939	/nfs/dbraw/zinc/31/99/39/998319939.db2.gz	XEOHDMWWYXXXSS-SNVBAGLBSA-N	-1	0	308.287	-0.108	20	70		DBIDRM