smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)CCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5	ZINC000026674661	561813666	/nfs/dbraw/zinc/81/36/66/561813666.db2.gz	BZGIEZVXZGYLPM-CBZTZNMZSA-O	1	3	500.663	3.821	1	5		KHBFHO
COc1ccc2c3c1O[C@H]1C[C@@H](O[P@@](=O)(NCC[NH3+])Oc4ccc([N+](=O)[O-])cc4)C=C[C@@]31CCN(C)C2	ZINC000049695089	562670196	/nfs/dbraw/zinc/67/01/96/562670196.db2.gz	IWOJDONSKKRNGD-DVGRNYFXSA-N	1	3	530.518	3.518	1	5		KHBFHO
COc1ccc2c3c1O[C@H]1C[C@@H](O[P@](=O)(NCC[NH3+])Oc4ccc([N+](=O)[O-])cc4)C=C[C@@]31CCN(C)C2	ZINC000049695092	562670190	/nfs/dbraw/zinc/67/01/90/562670190.db2.gz	IWOJDONSKKRNGD-ZDXQGDSVSA-N	1	3	530.518	3.518	1	5		KHBFHO
CN(C)CCCn1c(=O)c2ccc(NCCC[N@@H+](C)CCCN3C(=O)c4cccc5cc([N+](=O)[O-])cc(c54)C3=O)c3c(=O)c4ccccc4n(c1=O)c23	ZINC000150531461	562843808	/nfs/dbraw/zinc/84/38/08/562843808.db2.gz	WWWOKXAQXCHXIC-UHFFFAOYSA-N	1	3	717.783	3.999	1	5		KHBFHO
CN(C)CCCn1c(=O)c2ccc(NCCC[N@H+](C)CCCN3C(=O)c4cccc5cc([N+](=O)[O-])cc(c54)C3=O)c3c(=O)c4ccccc4n(c1=O)c23	ZINC000150531461	562843807	/nfs/dbraw/zinc/84/38/07/562843807.db2.gz	WWWOKXAQXCHXIC-UHFFFAOYSA-N	1	3	717.783	3.999	1	5		KHBFHO
[NH3+]CCCN(CCCCN(Cc1ccccc1)Cc1ccccc1)C(=O)CCC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000473135680	562900826	/nfs/dbraw/zinc/90/08/26/562900826.db2.gz	RPBBWPBIUHTEJY-QIKUIUABSA-N	1	3	619.763	3.546	1	5		KHBFHO