smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@@H+]1CCC[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cc(C)cc(C)c1	ZINC000035421913	558791520	/nfs/dbraw/zinc/79/15/20/558791520.db2.gz	WCACYQHNAGAOFC-NRFANRHFSA-N	2	0	400.567	2.052	10	0		HEAERP
CC[N@@H+]1CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cc(C)cc(C)c1	ZINC000035421912	558791571	/nfs/dbraw/zinc/79/15/71/558791571.db2.gz	WCACYQHNAGAOFC-OAQYLSRUSA-N	2	0	400.567	2.052	10	0		HEAERP
O[C@H]1CC[C@@H](Cc2cc(COc3ccccc3)on2)O[C@@H]1C[NH2+]C1CC[NH2+]CC1	ZINC000077262995	291213915	/nfs/dbraw/zinc/21/39/15/291213915.db2.gz	JMSKFVGWXPIWCZ-ILWGZMRPSA-N	2	0	401.507	2.046	10	0		HEAERP
COC(=O)[C@@H](C)NC(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1	ZINC000011874178	558291769	/nfs/dbraw/zinc/29/17/69/558291769.db2.gz	QQXQZCLSZVXKSJ-LJQANCHMSA-N	2	0	415.578	2.473	10	0		HEAERP
C[NH+](C)[C@@H]1CCN(Cc2cccnc2)C[C@@H]1CCC(=O)NCC[NH+]1CCCCC1	ZINC000012248075	558362053	/nfs/dbraw/zinc/36/20/53/558362053.db2.gz	DXMYHHUJMPUXED-FCHUYYIVSA-N	2	0	401.599	2.216	10	0		HEAERP
CCOC(=O)C1CC[NH+](Cc2ccc(OC)c(OC[C@H](O)C[NH+]3CCCC3)c2)CC1	ZINC000011817826	559260550	/nfs/dbraw/zinc/26/05/50/559260550.db2.gz	QROMGYROCUDSMO-HXUWFJFHSA-N	2	0	420.550	2.306	10	0		HEAERP
CCOC(=O)C1CC[NH+](Cc2ccc(OC)c(OC[C@@H](O)C[NH+]3CCCC3)c2)CC1	ZINC000011817825	559260518	/nfs/dbraw/zinc/26/05/18/559260518.db2.gz	QROMGYROCUDSMO-FQEVSTJZSA-N	2	0	420.550	2.306	10	0		HEAERP
C[NH+](C)CC(=O)N1C[C@H]2C[C@@H](C1)Cn1c2ccc(-c2ccccc2C[NH+](C)C)c1=O	ZINC000004237219	291204941	/nfs/dbraw/zinc/20/49/41/291204941.db2.gz	STCVQLMTRRJTIL-PKOBYXMFSA-N	2	0	408.546	2.084	10	0	biogenic	HEAERP
COc1cc(C[NH2+]CCC[NH2+]CCO)ccc1OCC(=O)Nc1ccc(C)cc1	ZINC000013733366	558587524	/nfs/dbraw/zinc/58/75/24/558587524.db2.gz	WJVXXWDIXREMIJ-UHFFFAOYSA-N	2	0	401.507	2.083	10	0		HEAERP