smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)c1ccc(OC)cc1	22003848	167175805	/nfs/dbraw/zinc/17/58/05/167175805.db2.gz	XGSUIJYYBUZUDS-UHFFFAOYSA-N	1	2	179.263	2.541	20	10		AFCDLO
CCC[NH2+]Cc1cccc(Cl)c1O	157755975	673968425	/nfs/dbraw/zinc/96/84/25/673968425.db2.gz	KWQMILMYZHZKNP-UHFFFAOYSA-N	1	2	199.681	2.545	20	10		AFCDLO
COc1ccc([N@H+](C)CC2CC2)cc1	831582865	583074348	/nfs/dbraw/zinc/07/43/48/583074348.db2.gz	JRGDUJUDHXLRDH-UHFFFAOYSA-N	1	2	191.274	2.541	20	10		AFCDLO
COc1ccc([N@@H+](C)CC2CC2)cc1	831582865	583074349	/nfs/dbraw/zinc/07/43/49/583074349.db2.gz	JRGDUJUDHXLRDH-UHFFFAOYSA-N	1	2	191.274	2.541	20	10		AFCDLO
CCOc1ccc([N@H+](C)CC)cc1	216233620	583484044	/nfs/dbraw/zinc/48/40/44/583484044.db2.gz	MQOZZFPASPOAHR-UHFFFAOYSA-N	1	2	179.263	2.541	20	10		AFCDLO
CCOc1ccc([N@@H+](C)CC)cc1	216233620	583484047	/nfs/dbraw/zinc/48/40/47/583484047.db2.gz	MQOZZFPASPOAHR-UHFFFAOYSA-N	1	2	179.263	2.541	20	10		AFCDLO