smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(C[NH2+]CCCCCCCCCCCC[NH2+]Cc2cccc(OC)c2O)c1[O-]	ZINC000019880871	555526223	/nfs/dbraw/zinc/52/62/23/555526223.db2.gz	LDDXZARETFOMLN-UHFFFAOYSA-N	1	3	472.670	5.895	50	10		JKCAHO
Oc1ccc(Nc2ccnc3cc(Cl)ccc32)cc1C[N@@H+]1CCCC[C@@H]1CCN1CCCC1	ZINC000044124573	526351460	/nfs/dbraw/zinc/35/14/60/526351460.db2.gz	GZKBHEJPMAZTGA-HSZRJFAPSA-N	1	3	465.041	6.178	50	10		JKCAHO
Oc1ccc(Nc2ccnc3cc(Cl)ccc32)cc1C[N@H+]1CCCC[C@@H]1CCN1CCCC1	ZINC000044124573	526351464	/nfs/dbraw/zinc/35/14/64/526351464.db2.gz	GZKBHEJPMAZTGA-HSZRJFAPSA-N	1	3	465.041	6.178	50	10		JKCAHO
Oc1ccc(Nc2ccnc3cc(Cl)ccc32)cc1CN1CCCC[C@@H]1CC[NH+]1CCCC1	ZINC000044124573	526351471	/nfs/dbraw/zinc/35/14/71/526351471.db2.gz	GZKBHEJPMAZTGA-HSZRJFAPSA-N	1	3	465.041	6.178	50	10		JKCAHO
Oc1ccc(Nc2ccnc3cc(Cl)ccc32)cc1C[N@@H+]1CCCC[C@H]1CCN1CCCC1	ZINC000044124577	526351865	/nfs/dbraw/zinc/35/18/65/526351865.db2.gz	GZKBHEJPMAZTGA-QHCPKHFHSA-N	1	3	465.041	6.178	50	10		JKCAHO
Oc1ccc(Nc2ccnc3cc(Cl)ccc32)cc1C[N@H+]1CCCC[C@H]1CCN1CCCC1	ZINC000044124577	526351867	/nfs/dbraw/zinc/35/18/67/526351867.db2.gz	GZKBHEJPMAZTGA-QHCPKHFHSA-N	1	3	465.041	6.178	50	10		JKCAHO
Oc1ccc(Nc2ccnc3cc(Cl)ccc32)cc1CN1CCCC[C@H]1CC[NH+]1CCCC1	ZINC000044124577	526351872	/nfs/dbraw/zinc/35/18/72/526351872.db2.gz	GZKBHEJPMAZTGA-QHCPKHFHSA-N	1	3	465.041	6.178	50	10		JKCAHO
c1ccc2c(c1)nc1ccccc1c2Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000008916713	554811215	/nfs/dbraw/zinc/81/12/15/554811215.db2.gz	CHEGZEWTNWNRPZ-UHFFFAOYSA-N	1	3	462.556	8.577	50	10		JKCAHO