smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)N1CC[C@@H]([NH2+]CCc3c[nH+]cn3C2)C1=O	ZINC000003870367	562939139	/nfs/dbraw/zinc/93/91/39/562939139.db2.gz	OBXLXUGOZZWQOW-XMMPIXPASA-N	2	2	449.514	4.000	1	30		IHEFLP
N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)N1CC[C@H]([NH2+]CCc3c[nH+]cn3C2)C1=O	ZINC000003870366	562939091	/nfs/dbraw/zinc/93/90/91/562939091.db2.gz	OBXLXUGOZZWQOW-DEOSSOPVSA-N	2	2	449.514	4.000	1	30		IHEFLP
[NH2+]=C(NCc1ccc(O)cc1)Nc1nc(-c2ccc(OCCCn3cc[nH+]c3)cc2)cs1	ZINC000045323283	563130635	/nfs/dbraw/zinc/13/06/35/563130635.db2.gz	HEPRTTBBIQAPNQ-UHFFFAOYSA-N	2	2	448.552	3.917	1	30		IHEFLP
C=C(C)CNC(=[NH2+])NCCCCCCCCN1CCCCCCCCNC(N)=[NH+]C1=O	ZINC000045283897	563128032	/nfs/dbraw/zinc/12/80/32/563128032.db2.gz	AUEZOVLHIJUQRG-UHFFFAOYSA-N	2	2	435.661	3.698	1	30		IHEFLP
COc1ccc(CNc2c(CO)c[nH+]c3c(NCC[NH+](C)C)cc(C#N)cc23)cc1Cl	ZINC000095585999	563189074	/nfs/dbraw/zinc/18/90/74/563189074.db2.gz	OSFXKBDOLXBQRH-UHFFFAOYSA-N	2	2	439.947	3.846	1	30		IHEFLP