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]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)Cc1ccc([N+](=O)[O-])cc1	ZINC000106922252	206313459	/nfs/dbraw/zinc/31/34/59/206313459.db2.gz	HNXXWYBHOKWZDK-LAUBAEHRSA-N	2	2	353.466	3.937	50	5		FHBALP
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)Cc1ccc([N+](=O)[O-])cc1	ZINC000106922252	206313463	/nfs/dbraw/zinc/31/34/63/206313463.db2.gz	HNXXWYBHOKWZDK-LAUBAEHRSA-N	2	2	353.466	3.937	50	5		FHBALP
C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])cc1	ZINC000106922252	206313466	/nfs/dbraw/zinc/31/34/66/206313466.db2.gz	HNXXWYBHOKWZDK-LAUBAEHRSA-N	2	2	353.466	3.937	50	5		FHBALP
C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1	ZINC000106922252	206313470	/nfs/dbraw/zinc/31/34/70/206313470.db2.gz	HNXXWYBHOKWZDK-LAUBAEHRSA-N	2	2	353.466	3.937	50	5		FHBALP
C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)Cc1ccc([N+](=O)[O-])cc1	ZINC000072308338	571065912	/nfs/dbraw/zinc/06/59/12/571065912.db2.gz	HNXXWYBHOKWZDK-UWJYYQICSA-N	2	2	353.466	3.937	50	5		FHBALP
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)Cc1ccc([N+](=O)[O-])cc1	ZINC000072308338	571065914	/nfs/dbraw/zinc/06/59/14/571065914.db2.gz	HNXXWYBHOKWZDK-UWJYYQICSA-N	2	2	353.466	3.937	50	5		FHBALP
C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])cc1	ZINC000072308338	571065916	/nfs/dbraw/zinc/06/59/16/571065916.db2.gz	HNXXWYBHOKWZDK-UWJYYQICSA-N	2	2	353.466	3.937	50	5		FHBALP
C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1	ZINC000072308338	571065917	/nfs/dbraw/zinc/06/59/17/571065917.db2.gz	HNXXWYBHOKWZDK-UWJYYQICSA-N	2	2	353.466	3.937	50	5		FHBALP
Cc1cc(N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)nc(C(C)C)[nH+]1	ZINC000009690073	571117152	/nfs/dbraw/zinc/11/71/52/571117152.db2.gz	DPFPPBSNDIEIED-INIZCTEOSA-N	2	2	369.469	3.700	50	5		FHBALP
Cc1cc(N2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)nc(C(C)C)[nH+]1	ZINC000009690074	571117109	/nfs/dbraw/zinc/11/71/09/571117109.db2.gz	DPFPPBSNDIEIED-MRXNPFEDSA-N	2	2	369.469	3.700	50	5		FHBALP
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)Cc1ccc([N+](=O)[O-])cc1	ZINC000072308337	571066051	/nfs/dbraw/zinc/06/60/51/571066051.db2.gz	HNXXWYBHOKWZDK-UTKZUKDTSA-N	2	2	353.466	3.937	50	5		FHBALP
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)Cc1ccc([N+](=O)[O-])cc1	ZINC000072308337	571066055	/nfs/dbraw/zinc/06/60/55/571066055.db2.gz	HNXXWYBHOKWZDK-UTKZUKDTSA-N	2	2	353.466	3.937	50	5		FHBALP
C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])cc1	ZINC000072308337	571066058	/nfs/dbraw/zinc/06/60/58/571066058.db2.gz	HNXXWYBHOKWZDK-UTKZUKDTSA-N	2	2	353.466	3.937	50	5		FHBALP
C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1	ZINC000072308337	571066062	/nfs/dbraw/zinc/06/60/62/571066062.db2.gz	HNXXWYBHOKWZDK-UTKZUKDTSA-N	2	2	353.466	3.937	50	5		FHBALP
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)Cc1ccc([N+](=O)[O-])cc1	ZINC000252669443	525008387	/nfs/dbraw/zinc/00/83/87/525008387.db2.gz	HNXXWYBHOKWZDK-DYESRHJHSA-N	2	2	353.466	3.937	50	5		FHBALP
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)Cc1ccc([N+](=O)[O-])cc1	ZINC000252669443	525008399	/nfs/dbraw/zinc/00/83/99/525008399.db2.gz	HNXXWYBHOKWZDK-DYESRHJHSA-N	2	2	353.466	3.937	50	5		FHBALP
C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])cc1	ZINC000252669443	525008410	/nfs/dbraw/zinc/00/84/10/525008410.db2.gz	HNXXWYBHOKWZDK-DYESRHJHSA-N	2	2	353.466	3.937	50	5		FHBALP
C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1	ZINC000252669443	525008419	/nfs/dbraw/zinc/00/84/19/525008419.db2.gz	HNXXWYBHOKWZDK-DYESRHJHSA-N	2	2	353.466	3.937	50	5		FHBALP
O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)ccc1O	ZINC000058339725	221115048	/nfs/dbraw/zinc/11/50/48/221115048.db2.gz	NQODZCKDLTYPSA-UHFFFAOYSA-N	2	2	355.438	3.576	50	5		FHBALP