smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H]3C[C@@H]12	ZINC000004024381	568758689	/nfs/dbraw/zinc/75/86/89/568758689.db2.gz	OLTZZXRGVSYTGW-YOTFYGMCSA-N	0	3	427.538	-0.332	50	30	biogenic	IBEAHN
CN1CCC2(CC1)NC(=O)N(CN1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2=O	ZINC000023717774	557371861	/nfs/dbraw/zinc/37/18/61/557371861.db2.gz	SUTBXGSUDCAWIJ-UHFFFAOYSA-N	0	3	446.533	-0.162	50	30		IBEAHN
CN1CCC2(CC1)NC(=O)N(CN1CCN(S(=O)(=O)c3ccccc3C#N)CC1)C2=O	ZINC000023718260	557372076	/nfs/dbraw/zinc/37/20/76/557372076.db2.gz	STYXQIUHLAZYGX-UHFFFAOYSA-N	0	3	446.533	-0.162	50	30		IBEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)[C@H]3C[C@@H]12	ZINC000252694700	569211012	/nfs/dbraw/zinc/21/10/12/569211012.db2.gz	OLTZZXRGVSYTGW-DWLQYFASSA-N	0	3	427.538	-0.332	50	30	biogenic	IBEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)[C@H]3C[C@@H]12	ZINC000252694701	569211028	/nfs/dbraw/zinc/21/10/28/569211028.db2.gz	OLTZZXRGVSYTGW-IIXPKSJRSA-N	0	3	427.538	-0.332	50	30	biogenic	IBEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)[C@H]3C[C@@H]12	ZINC000252694702	569210998	/nfs/dbraw/zinc/21/09/98/569210998.db2.gz	OLTZZXRGVSYTGW-VVHGTTFTSA-N	0	3	427.538	-0.332	50	30	biogenic	IBEAHN