smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O[C@H]1CN(c2cc[nH+]cc2)CC[N@H+](Cc2cc(C3CC3)n[nH]2)C1	ZINC000216989198	418560276	/nfs/dbraw/zinc/56/02/76/418560276.db2.gz	WPEDXPHVQZHIRY-MRXNPFEDSA-N	2	1	313.405	1.365	50	70		DDIAMP
O[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+](Cc2cc(C3CC3)n[nH]2)C1	ZINC000216989198	418560281	/nfs/dbraw/zinc/56/02/81/418560281.db2.gz	WPEDXPHVQZHIRY-MRXNPFEDSA-N	2	1	313.405	1.365	50	70		DDIAMP
C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@](C)(O)C1)c1ccccc1	ZINC000160196533	248313500	/nfs/dbraw/zinc/31/35/00/248313500.db2.gz	WYAKJSZMHOCXLI-FUHWJXTLSA-N	2	1	319.449	1.252	50	70		DDIAMP
CCO[C@H]1C[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C[C@@H]1O	ZINC000218571214	257273796	/nfs/dbraw/zinc/27/37/96/257273796.db2.gz	ZKFXOUHOIUCENW-OALUTQOASA-N	2	1	318.461	1.775	50	70		DDIAMP
CCO[C@H]1C[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C[C@@H]1O	ZINC000218571214	257273797	/nfs/dbraw/zinc/27/37/97/257273797.db2.gz	ZKFXOUHOIUCENW-OALUTQOASA-N	2	1	318.461	1.775	50	70		DDIAMP
O[C@@H]1CCOC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1	ZINC000217484536	407505881	/nfs/dbraw/zinc/50/58/81/407505881.db2.gz	NRACSDNWKPIFKB-QZTJIDSGSA-N	2	1	304.434	1.433	50	70		DDIAMP
CCc1[nH+]ccn1CCC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000217180115	484144419	/nfs/dbraw/zinc/14/44/19/484144419.db2.gz	LNZTYFKENLUEDD-OAHLLOKOSA-N	2	1	304.438	1.922	50	70		DDIAMP
C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@](C)(O)C1)c1ccccc1	ZINC000160196384	248313707	/nfs/dbraw/zinc/31/37/07/248313707.db2.gz	WYAKJSZMHOCXLI-WMZOPIPTSA-N	2	1	319.449	1.252	50	70		DDIAMP
C[N@H+]1CCCN(CCC[NH2+]C2CCC3(CC2)OCCO3)CC1	ZINC000161026993	354241784	/nfs/dbraw/zinc/24/17/84/354241784.db2.gz	QRHVADOYPDUBRS-UHFFFAOYSA-N	2	1	311.470	1.289	50	70		DDIAMP
CCc1[nH+]ccn1CCC(=O)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000217180123	484143612	/nfs/dbraw/zinc/14/36/12/484143612.db2.gz	LNZTYFKENLUEDD-HNNXBMFYSA-N	2	1	304.438	1.922	50	70		DDIAMP
C[N@H+]1CCCN(c2cc(C3CC([NH3+])C3)nc(C3CC3)n2)CC1	ZINC000218576575	257274175	/nfs/dbraw/zinc/27/41/75/257274175.db2.gz	RQSGLVAGDFDLEU-UHFFFAOYSA-N	2	1	301.438	1.701	50	70		DDIAMP
COc1ccc(CN2CCN3CC[N@@H+](C)C[C@@H]3C2)cc1OC	ZINC000217383041	407500751	/nfs/dbraw/zinc/50/07/51/407500751.db2.gz	NHRONYHMTYHFFU-OAHLLOKOSA-N	2	1	305.422	1.135	50	70		DDIAMP