smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H](Cn4cc[nH+]c4C)C3)CC2)cc1	ZINC000019658099	558950030	/nfs/dbraw/zinc/95/00/30/558950030.db2.gz	YODOCWGYUUOWMV-FQEVSTJZSA-N	2	1	411.550	2.261	40	10		HECBMP
COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@H](Cn4cc[nH+]c4C)C3)CC2)cc1	ZINC000019658099	558950032	/nfs/dbraw/zinc/95/00/32/558950032.db2.gz	YODOCWGYUUOWMV-FQEVSTJZSA-N	2	1	411.550	2.261	40	10		HECBMP
COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](Cn4cc[nH+]c4C)C3)CC2)cc1	ZINC000019658097	558950087	/nfs/dbraw/zinc/95/00/87/558950087.db2.gz	YODOCWGYUUOWMV-HXUWFJFHSA-N	2	1	411.550	2.261	40	10		HECBMP
COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H](Cn4cc[nH+]c4C)C3)CC2)cc1	ZINC000019658097	558950089	/nfs/dbraw/zinc/95/00/89/558950089.db2.gz	YODOCWGYUUOWMV-HXUWFJFHSA-N	2	1	411.550	2.261	40	10		HECBMP
O=C1CC[C@@H]([NH2+]Cc2ccc(O)c(C[NH+]3CCOCC3)c2)[C@H](c2ccccc2F)N1	ZINC000019368235	558877271	/nfs/dbraw/zinc/87/72/71/558877271.db2.gz	ITOLDWWFSYUVKQ-OFNKIYASSA-N	2	1	413.493	2.473	40	10		HECBMP
CNc1cc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)nc(C2CC[NH2+]CC2)n1	ZINC000019710115	558971828	/nfs/dbraw/zinc/97/18/28/558971828.db2.gz	ZGIOIJRBVLNFQN-UHFFFAOYSA-N	2	1	410.566	2.454	40	10		HECBMP