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	721825204	/nfs/dbraw/zinc/82/52/04/721825204.db2.gz	HCTONUIKYBFXGF-HYVNUMGLSA-N	1	1	405.499	2.267	20	70		HEIDMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(S(=O)(=O)F)ccn3)CC[C@@H]21	ZINC001164842699	720650434	/nfs/dbraw/zinc/65/04/34/720650434.db2.gz	TXVWFVMRXMHXGK-BQFCYCMXSA-N	1	1	407.515	2.314	20	70		HEIDMO
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(S(=O)(=O)F)nn1)C2	ZINC001164911699	721761596	/nfs/dbraw/zinc/76/15/96/721761596.db2.gz	QYOJKQRUTHDGKI-UHFFFAOYSA-N	1	1	417.466	2.318	20	70		HEIDMO
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(S(=O)(=O)F)nn1)C2	ZINC001164911699	721761602	/nfs/dbraw/zinc/76/16/02/721761602.db2.gz	QYOJKQRUTHDGKI-UHFFFAOYSA-N	1	1	417.466	2.318	20	70		HEIDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(S(=O)(=O)F)nn3)C[C@@H]21	ZINC001165022385	721825097	/nfs/dbraw/zinc/82/50/97/721825097.db2.gz	HCTONUIKYBFXGF-BHYGNILZSA-N	1	1	405.499	2.267	20	70		HEIDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(S(=O)(=O)F)nn3)C[C@H]21	ZINC001165022397	721825242	/nfs/dbraw/zinc/82/52/42/721825242.db2.gz	HCTONUIKYBFXGF-USXIJHARSA-N	1	1	405.499	2.267	20	70		HEIDMO
Cc1cc(S(=O)(=O)F)cnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164976179	722157907	/nfs/dbraw/zinc/15/79/07/722157907.db2.gz	UOSJRYARFDPPHE-PKOBYXMFSA-N	1	1	420.510	2.171	20	70		HEIDMO
CC(C)[N@@H+]1[C@@H]2CCN(c3cc(S(=O)(=O)F)ccn3)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164842708	720649705	/nfs/dbraw/zinc/64/97/05/720649705.db2.gz	TXVWFVMRXMHXGK-XYJFISCASA-N	1	1	407.515	2.314	20	70		HEIDMO
C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(S(=O)(=O)F)nn1)CC2	ZINC001164796743	721500713	/nfs/dbraw/zinc/50/07/13/721500713.db2.gz	WQVKZHOFHVMQKB-UHFFFAOYSA-N	1	1	405.499	2.411	20	70		HEIDMO
Cc1cc(S(=O)(=O)F)cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164976177	722157844	/nfs/dbraw/zinc/15/78/44/722157844.db2.gz	UOSJRYARFDPPHE-MJGOQNOKSA-N	1	1	420.510	2.171	20	70		HEIDMO
Cc1cc(S(=O)(=O)F)cnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164976174	722158028	/nfs/dbraw/zinc/15/80/28/722158028.db2.gz	UOSJRYARFDPPHE-HKUYNNGSSA-N	1	1	420.510	2.171	20	70		HEIDMO
CC(C)[N@@H+]1[C@@H]2CCN(c3cc(S(=O)(=O)F)ccn3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164842705	720649467	/nfs/dbraw/zinc/64/94/67/720649467.db2.gz	TXVWFVMRXMHXGK-SOLBZPMBSA-N	1	1	407.515	2.314	20	70		HEIDMO
Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(S(=O)(=O)F)nn4)CC3)C2)cc1	ZINC001164938656	721931002	/nfs/dbraw/zinc/93/10/02/721931002.db2.gz	CVZJJOYAUIXMFO-UHFFFAOYSA-N	1	1	420.510	2.315	20	70		HEIDMO
Cc1cc(S(=O)(=O)F)cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164976175	722158381	/nfs/dbraw/zinc/15/83/81/722158381.db2.gz	UOSJRYARFDPPHE-IEBWSBKVSA-N	1	1	420.510	2.171	20	70		HEIDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(S(=O)(=O)F)nn3)C[C@H]21	ZINC001165022389	721825271	/nfs/dbraw/zinc/82/52/71/721825271.db2.gz	HCTONUIKYBFXGF-DJIMGWMZSA-N	1	1	405.499	2.267	20	70		HEIDMO
CCOC(=O)C1CC[NH+](C2CCN(c3ncc(S(=O)(=O)F)cc3C)CC2)CC1	ZINC001164616396	719035189	/nfs/dbraw/zinc/03/51/89/719035189.db2.gz	BFUFPVRHHBCQIV-UHFFFAOYSA-N	1	1	413.515	2.292	20	70		HEIDMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(S(=O)(=O)F)ccn3)CC[C@@H]21	ZINC001164842702	720649778	/nfs/dbraw/zinc/64/97/78/720649778.db2.gz	TXVWFVMRXMHXGK-RYRKJORJSA-N	1	1	407.515	2.314	20	70		HEIDMO