smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)(Cc1ccccc1)N1CC[NH+](C[C@H](O)COc2ccccc2Cl)CC1	ZINC000217412081	569281621	/nfs/dbraw/zinc/28/16/21/569281621.db2.gz	VYFQFPDOZSTTQD-SFHVURJKSA-N	1	2	424.950	2.227	50	70		HEIALO
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCc1c[nH+]c[nH]1	ZINC000217614599	568898914	/nfs/dbraw/zinc/89/89/14/568898914.db2.gz	ITASKNNZCOGBPF-NRFANRHFSA-N	1	2	415.453	2.274	50	70	biogenic	HEIALO
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCc1c[nH]c[nH+]1	ZINC000217614599	568898917	/nfs/dbraw/zinc/89/89/17/568898917.db2.gz	ITASKNNZCOGBPF-NRFANRHFSA-N	1	2	415.453	2.274	50	70	biogenic	HEIALO
O=S(=O)(Cc1ccccc1)N1CC[NH+](C[C@@H](O)COc2ccccc2Cl)CC1	ZINC000217412006	569281565	/nfs/dbraw/zinc/28/15/65/569281565.db2.gz	VYFQFPDOZSTTQD-GOSISDBHSA-N	1	2	424.950	2.227	50	70		HEIALO
O=C(C[C@@H]1NC(=O)N(c2ccccc2)C1=O)N1CC[NH+](C/C=C/c2ccccc2)CC1	ZINC000218528253	568481486	/nfs/dbraw/zinc/48/14/86/568481486.db2.gz	DLOBMOIROWFOLB-CLNPQZTCSA-N	1	2	418.497	2.359	50	70		HEIALO
CC(=O)Nc1cccc2c1ccn2CC(=O)N1CC[NH+](CCc2ccccn2)CC1	ZINC000218235453	568476705	/nfs/dbraw/zinc/47/67/05/568476705.db2.gz	VAKKVQSODHECKT-UHFFFAOYSA-N	1	2	405.502	2.382	50	70		HEIALO
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCc1c[nH+]c[nH]1	ZINC000217614526	568898863	/nfs/dbraw/zinc/89/88/63/568898863.db2.gz	ITASKNNZCOGBPF-OAQYLSRUSA-N	1	2	415.453	2.274	50	70	biogenic	HEIALO
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCc1c[nH]c[nH+]1	ZINC000217614526	568898866	/nfs/dbraw/zinc/89/88/66/568898866.db2.gz	ITASKNNZCOGBPF-OAQYLSRUSA-N	1	2	415.453	2.274	50	70	biogenic	HEIALO