smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(S(=O)(=O)F)c1	ZINC001164750311	720860258	/nfs/dbraw/zinc/86/02/58/720860258.db2.gz	PJYBAEQVAFOVFM-OKZBNKHCSA-N	1	1	478.550	1.497	20	70		JDIDMO
COC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(S(=O)(=O)F)c1	ZINC001164750309	720860554	/nfs/dbraw/zinc/86/05/54/720860554.db2.gz	PJYBAEQVAFOVFM-KZNAEPCWSA-N	1	1	478.550	1.497	20	70		JDIDMO
COC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(S(=O)(=O)F)c1	ZINC001164750313	720861268	/nfs/dbraw/zinc/86/12/68/720861268.db2.gz	PJYBAEQVAFOVFM-RCCFBDPRSA-N	1	1	478.550	1.497	20	70		JDIDMO
CCOC(=O)C1CC[NH+](C2CCN(c3ncc(C(=O)OC)cc3S(=O)(=O)F)CC2)CC1	ZINC001164618498	719035104	/nfs/dbraw/zinc/03/51/04/719035104.db2.gz	UEKNPPFPECASNS-UHFFFAOYSA-N	1	1	457.524	1.770	20	70		JDIDMO
COC(=O)c1cnc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c(S(=O)(=O)F)c1	ZINC001164818018	720248678	/nfs/dbraw/zinc/24/86/78/720248678.db2.gz	WJAMLTZEJJHZDG-UHFFFAOYSA-N	1	1	467.523	1.334	20	70		JDIDMO
COC(=O)c1cnc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c(S(=O)(=O)F)c1	ZINC001164818018	720248685	/nfs/dbraw/zinc/24/86/85/720248685.db2.gz	WJAMLTZEJJHZDG-UHFFFAOYSA-N	1	1	467.523	1.334	20	70		JDIDMO
COC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(S(=O)(=O)F)c1	ZINC001164750299	720860643	/nfs/dbraw/zinc/86/06/43/720860643.db2.gz	PJYBAEQVAFOVFM-FGTMMUONSA-N	1	1	478.550	1.497	20	70		JDIDMO