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](C[N@H+](C)C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H]3C[C@@H]12	ZINC000004024381	568758685	/nfs/dbraw/zinc/75/86/85/568758685.db2.gz	OLTZZXRGVSYTGW-YOTFYGMCSA-N	1	0	427.538	-0.332	50	30	biogenic	IBEARO
C[NH+]1CCC2(CC1)NC(=O)N(CN1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2=O	ZINC000023717774	557371858	/nfs/dbraw/zinc/37/18/58/557371858.db2.gz	SUTBXGSUDCAWIJ-UHFFFAOYSA-N	1	0	446.533	-0.162	50	30		IBEARO
C[NH+]1CCC2(CC1)NC(=O)N(CN1CCN(S(=O)(=O)c3ccccc3C#N)CC1)C2=O	ZINC000023718260	557372068	/nfs/dbraw/zinc/37/20/68/557372068.db2.gz	STYXQIUHLAZYGX-UHFFFAOYSA-N	1	0	446.533	-0.162	50	30		IBEARO
Cc1ccc(S(=O)(=O)O[C@@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH2+]CCCN3CCOCC3)[C@@H]2O)cc1	ZINC000038583072	525622941	/nfs/dbraw/zinc/62/29/41/525622941.db2.gz	KIPZUOHRYRCMSU-SWBPCFCJSA-N	1	0	442.534	-0.135	50	30		IBEARO
Cc1ccc(S(=O)(=O)O[C@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH2+]CCCN3CCOCC3)[C@@H]2O)cc1	ZINC000038583074	525624968	/nfs/dbraw/zinc/62/49/68/525624968.db2.gz	KIPZUOHRYRCMSU-OUUBHVDSSA-N	1	0	442.534	-0.135	50	30		IBEARO
CC(C)C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000059199328	519388486	/nfs/dbraw/zinc/38/84/86/519388486.db2.gz	XMQSOOJRRVEHRO-ULQDDVLXSA-N	1	0	434.541	-0.290	50	30		IBEARO
Cc1ccc(S(=O)(=O)O[C@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH2+]CCCN3CCOCC3)[C@H]2O)cc1	ZINC000105298317	557492995	/nfs/dbraw/zinc/49/29/95/557492995.db2.gz	KIPZUOHRYRCMSU-LASHMREHSA-N	1	0	442.534	-0.135	50	30		IBEARO
Cc1ccc(S(=O)(=O)O[C@@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH2+]CCCN3CCOCC3)[C@H]2O)cc1	ZINC000136460194	556803098	/nfs/dbraw/zinc/80/30/98/556803098.db2.gz	KIPZUOHRYRCMSU-LTFPLMDUSA-N	1	0	442.534	-0.135	50	30		IBEARO