smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Br)c1	ZINC000043300486	562647463	/nfs/dbraw/zinc/64/74/63/562647463.db2.gz	FFYYUMVSQNLVHV-UHFFFAOYSA-N	1	1	527.376	2.310	1	70		KEIFMO
CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(OCCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043300620	562647531	/nfs/dbraw/zinc/64/75/31/562647531.db2.gz	MRFRJESJWIIFAR-UHFFFAOYSA-N	1	1	510.979	2.383	1	70		KEIFMO
CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(OCCNC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043307978	562647600	/nfs/dbraw/zinc/64/76/00/562647600.db2.gz	RMAFVERHFCLJIF-UHFFFAOYSA-N	1	1	511.967	2.384	1	70		KEIFMO
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC	ZINC000160802610	562849035	/nfs/dbraw/zinc/84/90/35/562849035.db2.gz	QDSIURMOHBBWLV-LWFLANIVSA-N	1	1	800.954	2.141	1	70		KEIFMO
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC	ZINC000160802610	562849034	/nfs/dbraw/zinc/84/90/34/562849034.db2.gz	QDSIURMOHBBWLV-LWFLANIVSA-N	1	1	800.954	2.141	1	70		KEIFMO
[NH3+][C@H]1COC[C@H]1Oc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000218028399	562877832	/nfs/dbraw/zinc/87/78/32/562877832.db2.gz	HELKSLAMYBXCSD-NZFVVWBWSA-N	1	1	564.618	2.404	1	70		KEIFMO
[NH3+][C@@H]1COC[C@@H]1Oc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000218028489	562877813	/nfs/dbraw/zinc/87/78/13/562877813.db2.gz	HELKSLAMYBXCSD-LDMUXNMWSA-N	1	1	564.618	2.404	1	70		KEIFMO