smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccc([NH+]2CCCCC2)cc1	152886	132178445	/nfs/dbraw/zinc/17/84/45/132178445.db2.gz	TVOSOIXYPHKEAR-UHFFFAOYSA-N	1	1	176.263	2.259	50	10	in-vitro	AECAMO
CCc1[nH+]ccn1-c1ccc(N)cc1	20351830	343071983	/nfs/dbraw/zinc/07/19/83/343071983.db2.gz	HCOWOSINIWWAAE-UHFFFAOYSA-N	1	1	187.246	2.017	50	10		AECAMO
CC(C)(C)[NH2+]c1ccc(N)cc1	34964375	166365606	/nfs/dbraw/zinc/36/56/06/166365606.db2.gz	BNVWDYFZDRRQKF-UHFFFAOYSA-N	1	1	164.252	2.479	50	10		AECAMO
CC(C)[N@@H+](C)Cc1ccc(N)cc1	22177181	343080201	/nfs/dbraw/zinc/08/02/01/343080201.db2.gz	INJQJBXWIQJXNG-UHFFFAOYSA-N	1	1	178.279	2.109	50	10		AECAMO
C[C@H]1CC[N@@H+](c2ccc(N)cc2)C1	40717652	343221937	/nfs/dbraw/zinc/22/19/37/343221937.db2.gz	PPKZUTYFHNQGLF-VIFPVBQESA-N	1	1	176.263	2.115	50	10	in-vitro	AECAMO
C[C@H]1CC[N@H+](c2ccc(N)cc2)C1	40717652	343221938	/nfs/dbraw/zinc/22/19/38/343221938.db2.gz	PPKZUTYFHNQGLF-VIFPVBQESA-N	1	1	176.263	2.115	50	10	in-vitro	AECAMO
Cc1[nH+]cn(-c2ccc(N)cc2)c1C	51925456	343295949	/nfs/dbraw/zinc/29/59/49/343295949.db2.gz	FHTLMLJMAPKUTM-UHFFFAOYSA-N	1	1	187.246	2.071	50	10	in-vitro	AECAMO
C[C@@H]1CC[N@@H+](c2ccc(N)cc2)C1	40717650	351510719	/nfs/dbraw/zinc/51/07/19/351510719.db2.gz	PPKZUTYFHNQGLF-SECBINFHSA-N	1	1	176.263	2.115	50	10	in-vitro	AECAMO
C[C@@H]1CC[N@H+](c2ccc(N)cc2)C1	40717650	351510722	/nfs/dbraw/zinc/51/07/22/351510722.db2.gz	PPKZUTYFHNQGLF-SECBINFHSA-N	1	1	176.263	2.115	50	10	in-vitro	AECAMO