smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCC(O)(C#CC2(O)CC[NH+](C)CC2)CC1	ZINC000169343471	351996035	/nfs/dbraw/zinc/99/60/35/351996035.db2.gz	ICYRZOYCJKPWDJ-UHFFFAOYSA-N	1	3	252.358	-0.097	10	30		CBEEHO
C[C@@H](C/C(N)=N/O)N1CCN(CC[NH+](C)C)CC1	ZINC000061644605	524309154	/nfs/dbraw/zinc/30/91/54/524309154.db2.gz	NJNMTSWAPAHRSC-NSHDSACASA-N	1	3	257.382	-0.309	10	30		CBEEHO
CNC(=O)CNC(N[C@@H]1CN(C(C)C)C[C@@H]1C)=[NH+]C	ZINC000261961048	656128011	/nfs/dbraw/zinc/12/80/11/656128011.db2.gz	KFELSJABKGUTOK-WDEREUQCSA-N	1	3	269.393	-0.374	10	30		CBEEHO
C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CN(C(C)C)C[C@@H]1C	ZINC000261971687	656127806	/nfs/dbraw/zinc/12/78/06/656127806.db2.gz	MZEXORWNFHSTDO-NWDGAFQWSA-N	1	3	283.420	-0.032	10	30		CBEEHO
C[C@H](C/C(N)=N/O)N1CCN(CC[NH+](C)C)CC1	ZINC000061644606	526196784	/nfs/dbraw/zinc/19/67/84/526196784.db2.gz	NJNMTSWAPAHRSC-LLVKDONJSA-N	1	3	257.382	-0.309	10	30		CBEEHO
C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CN(C(C)C)C[C@H]1C	ZINC000261971689	656127580	/nfs/dbraw/zinc/12/75/80/656127580.db2.gz	MZEXORWNFHSTDO-VXGBXAGGSA-N	1	3	283.420	-0.032	10	30		CBEEHO
CNC(=O)CNC(N[C@@H]1CN(C(C)C)C[C@H]1C)=[NH+]C	ZINC000261961045	656128006	/nfs/dbraw/zinc/12/80/06/656128006.db2.gz	KFELSJABKGUTOK-GHMZBOCLSA-N	1	3	269.393	-0.374	10	30		CBEEHO
CN1CCCN(CCNC(=[NH2+])NC[C@@H]2CCCO2)CC1	ZINC000261948082	220246404	/nfs/dbraw/zinc/24/64/04/220246404.db2.gz	GLXZDCRVMAXDAW-ZDUSSCGKSA-N	1	3	283.420	-0.293	10	30		CBEEHO
C[NH+](C)CCN1CCN(CCC/C(N)=N/O)CC1	ZINC000061644596	521765857	/nfs/dbraw/zinc/76/58/57/521765857.db2.gz	POPRSZKPJRHVQH-UHFFFAOYSA-N	1	3	257.382	-0.308	10	30		CBEEHO