smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](c1cccc(CN2CCN(CCN3CCOCC3)CC2)c1)[NH+](C)C	ZINC000217605122	526067606	/nfs/dbraw/zinc/06/76/06/526067606.db2.gz	LGGPSWXEYBHUHC-IBGZPJMESA-N	1	3	360.546	1.759	50	70		FDIAHO
Cc1cc(C)c(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)cc1CN1CCN(C)CC1	ZINC000217215858	524262666	/nfs/dbraw/zinc/26/26/66/524262666.db2.gz	HWOVIAQZPNMMPX-WIYYLYMNSA-N	1	3	361.530	1.226	50	70		FDIAHO
Cc1cc(C)c(C[N@H+]2CC[C@H](CO)[C@H](O)C2)cc1CN1CCN(C)CC1	ZINC000217215858	524262675	/nfs/dbraw/zinc/26/26/75/524262675.db2.gz	HWOVIAQZPNMMPX-WIYYLYMNSA-N	1	3	361.530	1.226	50	70		FDIAHO
C[C@H](c1cccc(CN2CCN(CCN3CCOCC3)CC2)c1)[NH+](C)C	ZINC000217605194	526075679	/nfs/dbraw/zinc/07/56/79/526075679.db2.gz	LGGPSWXEYBHUHC-LJQANCHMSA-N	1	3	360.546	1.759	50	70		FDIAHO
CN1CCN(C2(CNc3cc(C4CC([NH3+])C4)nc(N)n3)CCCC2)CC1	ZINC000218564596	523889425	/nfs/dbraw/zinc/88/94/25/523889425.db2.gz	XHXQJABRMQEXHY-UHFFFAOYSA-N	1	3	359.522	1.236	50	70		FDIAHO