smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)(F)c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)N3CC3CC3)C2)c1	ZINC001164753523	720861206	/nfs/dbraw/zinc/86/12/06/720861206.db2.gz	XASSCLZWRRZDPJ-XYJFISCASA-N	0	3	420.514	1.711	20	70		HDIDHN
O=S(=O)(F)c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)N3CC3CC3)C2)c1	ZINC001164753520	720861313	/nfs/dbraw/zinc/86/13/13/720861313.db2.gz	XASSCLZWRRZDPJ-JFIYKMOQSA-N	0	3	420.514	1.711	20	70		HDIDHN
CC(C)N1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(S(=O)(=O)F)nn3)CC[C@@H]21	ZINC001164835946	720609663	/nfs/dbraw/zinc/60/96/63/720609663.db2.gz	CYAAMOUCSLIZCS-PMPSAXMXSA-N	0	3	408.503	1.709	20	70		HDIDHN
CC(C)N1[C@@H]2CCN(c3ccc(S(=O)(=O)F)nn3)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164835943	720610181	/nfs/dbraw/zinc/61/01/81/720610181.db2.gz	CYAAMOUCSLIZCS-HRCADAONSA-N	0	3	408.503	1.709	20	70		HDIDHN
CC(C)N1[C@@H]2CCN(c3ccc(S(=O)(=O)F)nn3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164835945	720609044	/nfs/dbraw/zinc/60/90/44/720609044.db2.gz	CYAAMOUCSLIZCS-OWCLPIDISA-N	0	3	408.503	1.709	20	70		HDIDHN
CC(C)N1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(S(=O)(=O)F)nn3)CC[C@@H]21	ZINC001164835944	720609765	/nfs/dbraw/zinc/60/97/65/720609765.db2.gz	CYAAMOUCSLIZCS-JYJNAYRXSA-N	0	3	408.503	1.709	20	70		HDIDHN
O=S(=O)(F)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)N3CC3CC3)C2)nn1	ZINC001164742514	720849242	/nfs/dbraw/zinc/84/92/42/720849242.db2.gz	HFBDLAHTNKSGQW-ARFHVFGLSA-N	0	3	421.502	1.106	20	70		HDIDHN
O=S(=O)(F)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)N3CC3CC3)C2)nn1	ZINC001164742515	720848920	/nfs/dbraw/zinc/84/89/20/720848920.db2.gz	HFBDLAHTNKSGQW-BZUAXINKSA-N	0	3	421.502	1.106	20	70		HDIDHN
O=S(=O)(F)c1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)N3CC3CC3)C2)c1	ZINC001164753521	720861121	/nfs/dbraw/zinc/86/11/21/720861121.db2.gz	XASSCLZWRRZDPJ-LZLYRXPVSA-N	0	3	420.514	1.711	20	70		HDIDHN
O=S(=O)(F)c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)N3CC3CC3)C2)c1	ZINC001164753522	720860990	/nfs/dbraw/zinc/86/09/90/720860990.db2.gz	XASSCLZWRRZDPJ-SOLBZPMBSA-N	0	3	420.514	1.711	20	70		HDIDHN
O=S(=O)(F)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)N3CC3CC3)C2)nn1	ZINC001164742516	720848810	/nfs/dbraw/zinc/84/88/10/720848810.db2.gz	HFBDLAHTNKSGQW-HRCADAONSA-N	0	3	421.502	1.106	20	70		HDIDHN
O=S(=O)(F)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)N3CC3CC3)C2)nn1	ZINC001164742517	720849130	/nfs/dbraw/zinc/84/91/30/720849130.db2.gz	HFBDLAHTNKSGQW-OWCLPIDISA-N	0	3	421.502	1.106	20	70		HDIDHN