smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ncsc1[C@H]1C[C@@H]1NC(=O)CC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N	ZINC000040914567	581093221	/nfs/dbraw/zinc/09/32/21/581093221.db2.gz	XAGGCSSAKUAKQZ-AJNGGQMLSA-N	0	3	407.515	1.645	1	30		HDEFHN
Cn1cc(-c2nc3cnc(N4CCNCC4)nc3n(CCC#N)c2=O)c2ccccc21	ZINC000004238921	132273557	/nfs/dbraw/zinc/27/35/57/132273557.db2.gz	IUWLVODOLJPCEL-UHFFFAOYSA-N	0	3	414.473	1.668	1	30		HDEFHN
COc1ccc(NC(=O)CC(C)(C)NCC(=O)N2C[C@@H](F)C[C@H]2C#N)cc1OC	ZINC000049036607	581096236	/nfs/dbraw/zinc/09/62/36/581096236.db2.gz	VQNOMKDKYPNXAG-ZFWWWQNUSA-N	0	3	406.458	1.863	1	30		HDEFHN
COc1ccc(S(=O)(=O)N2C[C@@H]([NH2+]CCc3ccccc3)C[C@@H]2C(=O)N[O-])cc1	ZINC000013835721	581097608	/nfs/dbraw/zinc/09/76/08/581097608.db2.gz	KUEURUPTKRCKAQ-QFBILLFUSA-N	0	3	419.503	1.165	1	30		HDEFHN
CNCCNC(=[NH2+])N1C=CC[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@](O)(C=O)C[C@]32[C@H](C)CC1	ZINC000103524877	291194507	/nfs/dbraw/zinc/19/45/07/291194507.db2.gz	USBQJLWHZKRGGI-VRBKFZFXSA-N	0	3	416.522	1.087	1	30	biogenic,in-vitro	HDEFHN