smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH+]ccn1C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1	ZINC000036752789	494097923	/nfs/dbraw/zinc/09/79/23/494097923.db2.gz	XHZRAAVWMWABDG-IBGZPJMESA-N	2	1	372.488	3.079	40	10		FGCBMP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1	ZINC000036752789	494097925	/nfs/dbraw/zinc/09/79/25/494097925.db2.gz	XHZRAAVWMWABDG-IBGZPJMESA-N	2	1	372.488	3.079	40	10		FGCBMP
Cc1[nH+]ccn1CC1CC[NH+](Cc2ccc(N3CCOCC3)cc2C)CC1	ZINC000019715752	494457068	/nfs/dbraw/zinc/45/70/68/494457068.db2.gz	MTWXCWFIZXINMU-UHFFFAOYSA-N	2	1	368.525	3.249	40	10		FGCBMP
Cc1ccc(O)c(C[NH+]2CCC3(CC2)Nc2ccccc2C2=[NH+]CCN23)c1	ZINC000072327162	494152484	/nfs/dbraw/zinc/15/24/84/494152484.db2.gz	FBDWDKYNSWLWNQ-UHFFFAOYSA-N	2	1	362.477	3.181	40	10		FGCBMP
Cc1ccc(O)c(C[NH+]2CCCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c1	ZINC000019133535	220237300	/nfs/dbraw/zinc/23/73/00/220237300.db2.gz	VPLGKNGAXUYGBH-LJQANCHMSA-N	2	1	352.482	3.206	40	10		FGCBMP
Cc1ccc(O)c(C[NH+]2CCCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)c1	ZINC000019133535	220237305	/nfs/dbraw/zinc/23/73/05/220237305.db2.gz	VPLGKNGAXUYGBH-LJQANCHMSA-N	2	1	352.482	3.206	40	10		FGCBMP
Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2c2ncc3c(n2)CC[NH+](C)C3)c1	ZINC000019133535	220237308	/nfs/dbraw/zinc/23/73/08/220237308.db2.gz	VPLGKNGAXUYGBH-LJQANCHMSA-N	2	1	352.482	3.206	40	10		FGCBMP
Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2c2ncc3c(n2)CC[NH+](C)C3)c1	ZINC000019133535	220237313	/nfs/dbraw/zinc/23/73/13/220237313.db2.gz	VPLGKNGAXUYGBH-LJQANCHMSA-N	2	1	352.482	3.206	40	10		FGCBMP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1	ZINC000036752786	494097878	/nfs/dbraw/zinc/09/78/78/494097878.db2.gz	XHZRAAVWMWABDG-LJQANCHMSA-N	2	1	372.488	3.079	40	10		FGCBMP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1	ZINC000036752786	494097881	/nfs/dbraw/zinc/09/78/81/494097881.db2.gz	XHZRAAVWMWABDG-LJQANCHMSA-N	2	1	372.488	3.079	40	10		FGCBMP
Cc1ccc(O)c(C[NH+]2CCCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c1	ZINC000019133532	494436909	/nfs/dbraw/zinc/43/69/09/494436909.db2.gz	VPLGKNGAXUYGBH-IBGZPJMESA-N	2	1	352.482	3.206	40	10		FGCBMP
Cc1ccc(O)c(C[NH+]2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)c1	ZINC000019133532	494436912	/nfs/dbraw/zinc/43/69/12/494436912.db2.gz	VPLGKNGAXUYGBH-IBGZPJMESA-N	2	1	352.482	3.206	40	10		FGCBMP
Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2c2ncc3c(n2)CC[NH+](C)C3)c1	ZINC000019133532	494436916	/nfs/dbraw/zinc/43/69/16/494436916.db2.gz	VPLGKNGAXUYGBH-IBGZPJMESA-N	2	1	352.482	3.206	40	10		FGCBMP
Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2c2ncc3c(n2)CC[NH+](C)C3)c1	ZINC000019133532	494436919	/nfs/dbraw/zinc/43/69/19/494436919.db2.gz	VPLGKNGAXUYGBH-IBGZPJMESA-N	2	1	352.482	3.206	40	10		FGCBMP
CN(C)CC[NH2+]CCCNc1c2ccccc2[nH+]c2cccc([N+](=O)[O-])c21	ZINC000027435449	494868266	/nfs/dbraw/zinc/86/82/66/494868266.db2.gz	NTEFHWSDYCVUDW-UHFFFAOYSA-N	2	1	367.453	3.249	40	10		FGCBMP