smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(S(=O)(=O)F)nn3)C[C@@H]21	ZINC001165022393	721825201	/nfs/dbraw/zinc/82/52/01/721825201.db2.gz	HCTONUIKYBFXGF-HYVNUMGLSA-N	1	0	405.499	2.267	20	70		HEIDRO
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(S(=O)(=O)F)ccn3)CC[C@@H]21	ZINC001164842699	720650406	/nfs/dbraw/zinc/65/04/06/720650406.db2.gz	TXVWFVMRXMHXGK-BQFCYCMXSA-N	1	0	407.515	2.314	20	70		HEIDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(S(=O)(=O)F)nn3)C[C@@H]21	ZINC001165022385	721825094	/nfs/dbraw/zinc/82/50/94/721825094.db2.gz	HCTONUIKYBFXGF-BHYGNILZSA-N	1	0	405.499	2.267	20	70		HEIDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(S(=O)(=O)F)nn3)C[C@H]21	ZINC001165022397	721825241	/nfs/dbraw/zinc/82/52/41/721825241.db2.gz	HCTONUIKYBFXGF-USXIJHARSA-N	1	0	405.499	2.267	20	70		HEIDRO
Cc1cc(S(=O)(=O)F)cnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164976179	722157903	/nfs/dbraw/zinc/15/79/03/722157903.db2.gz	UOSJRYARFDPPHE-PKOBYXMFSA-N	1	0	420.510	2.171	20	70		HEIDRO
CC(C)[N@H+]1[C@@H]2CCN(c3cc(S(=O)(=O)F)ccn3)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164842708	720649689	/nfs/dbraw/zinc/64/96/89/720649689.db2.gz	TXVWFVMRXMHXGK-XYJFISCASA-N	1	0	407.515	2.314	20	70		HEIDRO
C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(S(=O)(=O)F)nn1)CC2	ZINC001164796743	721500707	/nfs/dbraw/zinc/50/07/07/721500707.db2.gz	WQVKZHOFHVMQKB-UHFFFAOYSA-N	1	0	405.499	2.411	20	70		HEIDRO
Cc1cc(S(=O)(=O)F)cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164976177	722157838	/nfs/dbraw/zinc/15/78/38/722157838.db2.gz	UOSJRYARFDPPHE-MJGOQNOKSA-N	1	0	420.510	2.171	20	70		HEIDRO
Cc1cc(S(=O)(=O)F)cnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164976174	722158027	/nfs/dbraw/zinc/15/80/27/722158027.db2.gz	UOSJRYARFDPPHE-HKUYNNGSSA-N	1	0	420.510	2.171	20	70		HEIDRO
CC(C)[N@H+]1[C@@H]2CCN(c3cc(S(=O)(=O)F)ccn3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164842705	720649463	/nfs/dbraw/zinc/64/94/63/720649463.db2.gz	TXVWFVMRXMHXGK-SOLBZPMBSA-N	1	0	407.515	2.314	20	70		HEIDRO
Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(S(=O)(=O)F)nn4)CC3)C2)cc1	ZINC001164938656	721931000	/nfs/dbraw/zinc/93/10/00/721931000.db2.gz	CVZJJOYAUIXMFO-UHFFFAOYSA-N	1	0	420.510	2.315	20	70		HEIDRO
Cc1cc(S(=O)(=O)F)cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164976175	722158377	/nfs/dbraw/zinc/15/83/77/722158377.db2.gz	UOSJRYARFDPPHE-IEBWSBKVSA-N	1	0	420.510	2.171	20	70		HEIDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(S(=O)(=O)F)nn3)C[C@H]21	ZINC001165022389	721825269	/nfs/dbraw/zinc/82/52/69/721825269.db2.gz	HCTONUIKYBFXGF-DJIMGWMZSA-N	1	0	405.499	2.267	20	70		HEIDRO
CCOC(=O)C1CCN(C2CCN(c3ncc(S(=O)(=O)F)cc3C)CC2)CC1	ZINC001164616396	719035182	/nfs/dbraw/zinc/03/51/82/719035182.db2.gz	BFUFPVRHHBCQIV-UHFFFAOYSA-N	1	0	413.515	2.292	20	70		HEIDRO
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(S(=O)(=O)F)ccn3)CC[C@@H]21	ZINC001164842702	720649762	/nfs/dbraw/zinc/64/97/62/720649762.db2.gz	TXVWFVMRXMHXGK-RYRKJORJSA-N	1	0	407.515	2.314	20	70		HEIDRO