smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@H+](Cc1csc(-c2ccco2)n1)[C@H](C)c1ccc(C#N)cc1	ZINC000054340244	214232617	/nfs/dbraw/zinc/23/26/17/214232617.db2.gz	MQBLXJWZWXFQNU-CQSZACIVSA-N	1	1	337.448	4.858	20	30		EJEDMO
CC[N@@H+](Cc1csc(-c2ccco2)n1)[C@H](C)c1ccc(C#N)cc1	ZINC000054340244	214232620	/nfs/dbraw/zinc/23/26/20/214232620.db2.gz	MQBLXJWZWXFQNU-CQSZACIVSA-N	1	1	337.448	4.858	20	30		EJEDMO
CCC[N@H+]1CCCC[C@H]1c1ccc(N(C)Cc2ccc(C#N)cc2)nc1	ZINC001165017080	721837304	/nfs/dbraw/zinc/83/73/04/721837304.db2.gz	HQUJWUNNOYVBDH-NRFANRHFSA-N	1	1	348.494	4.527	20	30		EJEDMO
CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C)Cc2ccc(C#N)cc2)nc1	ZINC001165017089	721837358	/nfs/dbraw/zinc/83/73/58/721837358.db2.gz	HQUJWUNNOYVBDH-OAQYLSRUSA-N	1	1	348.494	4.527	20	30		EJEDMO
C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2cccc(F)c2C#N)C1	ZINC000071954841	203154053	/nfs/dbraw/zinc/15/40/53/203154053.db2.gz	XXMBLTDHXUBEOS-INIZCTEOSA-N	1	1	337.442	4.541	20	30		EJEDMO
CCC[N@H+]1CCCC[C@@H]1c1ccc(N(CCC#N)C2CCCC2)nc1	ZINC001165017922	721836012	/nfs/dbraw/zinc/83/60/12/721836012.db2.gz	RUABZBQGMPZSQL-HXUWFJFHSA-N	1	1	340.515	4.681	20	30		EJEDMO
CCC[N@H+]1CCCC[C@H]1c1ccc(N(CCC#N)C2CCCC2)nc1	ZINC001165017917	721836018	/nfs/dbraw/zinc/83/60/18/721836018.db2.gz	RUABZBQGMPZSQL-FQEVSTJZSA-N	1	1	340.515	4.681	20	30		EJEDMO