smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc(C[NH2+]C2(Cc3cc(C[NH+]4CCN(c5ccccc5)CC4)on3)COC2)cc1	ZINC000067898442	291349162	/nfs/dbraw/zinc/34/91/62/291349162.db2.gz	OYRZFTDMAGZCCY-UHFFFAOYSA-N	2	2	443.551	2.970	40	30	biogenic,in-vitro	IFEBLP
C(=[NH+]Nc1ccccc1)c1ccc(N(CCN2CCOCC2)CC[NH+]2CCOCC2)cc1	ZINC000016488174	556611908	/nfs/dbraw/zinc/61/19/08/556611908.db2.gz	CSWFZQLCAWGWCD-XTCLZLMSSA-N	2	2	437.588	2.603	40	30		IFEBLP
C(=[NH+]Nc1ccccc1)c1ccc(N(CC[NH+]2CCOCC2)CC[NH+]2CCOCC2)cc1	ZINC000016488174	556611911	/nfs/dbraw/zinc/61/19/11/556611911.db2.gz	CSWFZQLCAWGWCD-XTCLZLMSSA-N	3	2	437.588	2.603	40	30		IFEBLP
C=C(C)C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](c3ccccc3C)[C@H](c3csnn3)C2)CC1	ZINC000019237426	568853655	/nfs/dbraw/zinc/85/36/55/568853655.db2.gz	WRSYXEUDHNVGMK-LEWJYISDSA-N	2	2	425.602	2.750	40	30		IFEBLP
C=C(C)C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](c3ccccc3C)[C@H](c3csnn3)C2)CC1	ZINC000019237426	568853658	/nfs/dbraw/zinc/85/36/58/568853658.db2.gz	WRSYXEUDHNVGMK-LEWJYISDSA-N	2	2	425.602	2.750	40	30		IFEBLP
CC#CCn1cc2c3c1cccc3[C@H](CC(C)C)[NH2+][C@H](C(=O)NCC[NH+]1CCOCC1)C2	ZINC000049171698	519345955	/nfs/dbraw/zinc/34/59/55/519345955.db2.gz	XXVAVZZWLVVVAP-GOTSBHOMSA-N	2	2	436.600	2.715	40	30	biogenic,in-vitro	IFEBLP