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]2CCC(=O)N3CC2CC[NH+](C)CC2)c(S(=O)(=O)F)c1	ZINC001164825180	720355467	/nfs/dbraw/zinc/35/54/67/720355467.db2.gz	ITYVOEBGWQFQFG-IAGOWNOFSA-N	1	0	468.551	1.438	20	70		JDIDRO
COC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(S(=O)(=O)F)c1	ZINC001164750311	720860252	/nfs/dbraw/zinc/86/02/52/720860252.db2.gz	PJYBAEQVAFOVFM-OKZBNKHCSA-N	1	0	478.550	1.497	20	70		JDIDRO
COC(=O)c1cnc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c(S(=O)(=O)F)c1	ZINC001164884903	721452968	/nfs/dbraw/zinc/45/29/68/721452968.db2.gz	CGFKVNOTOQVRKW-DYESRHJHSA-N	1	0	470.567	1.292	20	70		JDIDRO
COC(=O)c1cnc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c(S(=O)(=O)F)c1	ZINC001165004458	722258199	/nfs/dbraw/zinc/25/81/99/722258199.db2.gz	SDOUUJODHDRGSO-UHFFFAOYSA-N	1	0	455.512	1.211	20	70		JDIDRO
COC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(S(=O)(=O)F)c1	ZINC001164750309	720860551	/nfs/dbraw/zinc/86/05/51/720860551.db2.gz	PJYBAEQVAFOVFM-KZNAEPCWSA-N	1	0	478.550	1.497	20	70		JDIDRO
COC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(S(=O)(=O)F)c1	ZINC001164750313	720861266	/nfs/dbraw/zinc/86/12/66/720861266.db2.gz	PJYBAEQVAFOVFM-RCCFBDPRSA-N	1	0	478.550	1.497	20	70		JDIDRO
CCOC(=O)C1CCN(C2CCN(c3ncc(C(=O)OC)cc3S(=O)(=O)F)CC2)CC1	ZINC001164618498	719035097	/nfs/dbraw/zinc/03/50/97/719035097.db2.gz	UEKNPPFPECASNS-UHFFFAOYSA-N	1	0	457.524	1.770	20	70		JDIDRO
COC(=O)c1cnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(S(=O)(=O)F)c1	ZINC001164825177	720355411	/nfs/dbraw/zinc/35/54/11/720355411.db2.gz	ITYVOEBGWQFQFG-DLBZAZTESA-N	1	0	468.551	1.438	20	70		JDIDRO
COC(=O)c1cnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(S(=O)(=O)F)c1	ZINC001164825183	720355589	/nfs/dbraw/zinc/35/55/89/720355589.db2.gz	ITYVOEBGWQFQFG-IRXDYDNUSA-N	1	0	468.551	1.438	20	70		JDIDRO
COC(=O)c1cnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c(S(=O)(=O)F)c1	ZINC001164884904	721452890	/nfs/dbraw/zinc/45/28/90/721452890.db2.gz	CGFKVNOTOQVRKW-LAUBAEHRSA-N	1	0	470.567	1.292	20	70		JDIDRO
COC(=O)c1cnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(S(=O)(=O)F)c1	ZINC001164825186	720355070	/nfs/dbraw/zinc/35/50/70/720355070.db2.gz	ITYVOEBGWQFQFG-SJORKVTESA-N	1	0	468.551	1.438	20	70		JDIDRO
COC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(S(=O)(=O)F)c1	ZINC001164750299	720860640	/nfs/dbraw/zinc/86/06/40/720860640.db2.gz	PJYBAEQVAFOVFM-FGTMMUONSA-N	1	0	478.550	1.497	20	70		JDIDRO
COC(=O)c1cnc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c(S(=O)(=O)F)c1	ZINC001164884906	721452288	/nfs/dbraw/zinc/45/22/88/721452288.db2.gz	CGFKVNOTOQVRKW-UWJYYQICSA-N	1	0	470.567	1.292	20	70		JDIDRO
COC(=O)c1cnc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c(S(=O)(=O)F)c1	ZINC001164884905	721452494	/nfs/dbraw/zinc/45/24/94/721452494.db2.gz	CGFKVNOTOQVRKW-UTKZUKDTSA-N	1	0	470.567	1.292	20	70		JDIDRO