smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccc(C[N@H+](Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000575420903	447857922	/nfs/dbraw/zinc/85/79/22/447857922.db2.gz	KYVQVRUSSCXXHR-MSOLQXFVSA-N	1	2	346.452	1.429	40	10		EDCBLO
Nc1ccc(C[N@@H+](Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000575420903	447857927	/nfs/dbraw/zinc/85/79/27/447857927.db2.gz	KYVQVRUSSCXXHR-MSOLQXFVSA-N	1	2	346.452	1.429	40	10		EDCBLO
CNC(=O)[C@H]1CN(c2ccc(OC)cc2)CCN1c1cc[nH+]c(C)n1	ZINC000257235693	536401123	/nfs/dbraw/zinc/40/11/23/536401123.db2.gz	GYYDOXZREXRZRU-MRXNPFEDSA-N	1	2	341.415	1.235	40	10		EDCBLO
CCOc1cc(CN2CCOCC2)c(O)c(C[NH+]2CCOCC2)c1	ZINC000031623694	441532731	/nfs/dbraw/zinc/53/27/31/441532731.db2.gz	XEGWKGWECYMDHQ-UHFFFAOYSA-N	1	2	336.432	1.455	40	10		EDCBLO
CNC(=O)[C@@H]1CN(c2ccc(OC)cc2)CCN1c1cc[nH+]c(C)n1	ZINC000257235692	536368487	/nfs/dbraw/zinc/36/84/87/536368487.db2.gz	GYYDOXZREXRZRU-INIZCTEOSA-N	1	2	341.415	1.235	40	10		EDCBLO
CNC(=O)[C@@H]1CN(c2ccc(OC)cc2)CCN1c1cc(C)[nH+]cn1	ZINC000253479843	443072078	/nfs/dbraw/zinc/07/20/78/443072078.db2.gz	SQKQJSBTTQIPCH-INIZCTEOSA-N	1	2	341.415	1.235	40	10		EDCBLO
c1ccc2c(c1)nnn2C[NH+]1CCN(c2ccc3c(c2)OCO3)CC1	ZINC000052537407	214132992	/nfs/dbraw/zinc/13/29/92/214132992.db2.gz	XZJBMUWKQPIDKS-UHFFFAOYSA-N	1	2	337.383	1.940	40	10		EDCBLO