smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CC[NH+](CCCNC(=O)CNC(=O)C[NH3+])CC2)cc1	ZINC000274406277	483645047	/nfs/dbraw/zinc/64/50/47/483645047.db2.gz	HZMQHJAOAAFEQW-UHFFFAOYSA-N	2	0	363.462	-0.602	20	10		FBCDRP
CC[NH+]1CCN(c2ccc(CNC(=O)CNC(=O)C[NH3+])cc2F)CC1	ZINC000274456152	483647927	/nfs/dbraw/zinc/64/79/27/483647927.db2.gz	UFGUYJYXYXRLKE-UHFFFAOYSA-N	2	0	351.426	-0.341	20	10		FBCDRP
CN(C)S(=O)(=O)NCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000839089116	660551654	/nfs/dbraw/zinc/55/16/54/660551654.db2.gz	ADUVUJFBHXRTTP-UHFFFAOYSA-N	2	0	355.508	-0.076	20	10		FBCDRP
CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCC[NH3+])cc2F)CC1	ZINC000842214617	661186913	/nfs/dbraw/zinc/18/69/13/661186913.db2.gz	NJAWJWMQVDUVFU-UHFFFAOYSA-N	2	0	351.426	-0.341	20	10		FBCDRP
C[NH2+]C[C@H](O)CNC[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000843081423	661196413	/nfs/dbraw/zinc/19/64/13/661196413.db2.gz	RUXJLBJUCSMQCH-DLBZAZTESA-N	2	0	352.479	-0.652	20	10		FBCDRP
C[NH2+]C[C@@H](O)CNC[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000843081424	661196422	/nfs/dbraw/zinc/19/64/22/661196422.db2.gz	RUXJLBJUCSMQCH-IAGOWNOFSA-N	2	0	352.479	-0.652	20	10		FBCDRP
C[NH2+]C[C@H](O)CNC[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000843081425	661196455	/nfs/dbraw/zinc/19/64/55/661196455.db2.gz	RUXJLBJUCSMQCH-IRXDYDNUSA-N	2	0	352.479	-0.652	20	10		FBCDRP
C[NH2+]C[C@@H](O)CNC[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000843081426	661196435	/nfs/dbraw/zinc/19/64/35/661196435.db2.gz	RUXJLBJUCSMQCH-SJORKVTESA-N	2	0	352.479	-0.652	20	10		FBCDRP
COc1ccc(N2CC[NH+](C[C@H](O)CN(C)C[C@@H](O)C[NH3+])CC2)cc1	ZINC000923366597	660516897	/nfs/dbraw/zinc/51/68/97/660516897.db2.gz	NXKONESFECOUFB-DLBZAZTESA-N	2	0	352.479	-0.571	20	10		FBCDRP
COc1ccc(N2CC[NH+](C[C@H](O)CN(C)C[C@H](O)C[NH3+])CC2)cc1	ZINC000923366602	660516851	/nfs/dbraw/zinc/51/68/51/660516851.db2.gz	NXKONESFECOUFB-IAGOWNOFSA-N	2	0	352.479	-0.571	20	10		FBCDRP
COc1ccc(N2CC[NH+](C[C@@H](O)CN(C)C[C@@H](O)C[NH3+])CC2)cc1	ZINC000923366604	660516877	/nfs/dbraw/zinc/51/68/77/660516877.db2.gz	NXKONESFECOUFB-IRXDYDNUSA-N	2	0	352.479	-0.571	20	10		FBCDRP
COc1ccc(N2CC[NH+](C[C@@H](O)CN(C)C[C@H](O)C[NH3+])CC2)cc1	ZINC000923366606	660516858	/nfs/dbraw/zinc/51/68/58/660516858.db2.gz	NXKONESFECOUFB-SJORKVTESA-N	2	0	352.479	-0.571	20	10		FBCDRP
COC(=O)Cc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c(O)c1	ZINC001235876560	846032837	/nfs/dbraw/zinc/03/28/37/846032837.db2.gz	ZAHUZCAPBZNNIO-UHFFFAOYSA-N	2	0	350.463	-0.308	20	10		FBCDRP
CN1CCN(c2ccc(CN(CC[NH3+])CC[NH3+])c(S(C)(=O)=O)c2)CC1	ZINC001235879808	846033451	/nfs/dbraw/zinc/03/34/51/846033451.db2.gz	GIQJZAOKQUWRRE-UHFFFAOYSA-N	2	0	369.535	-0.439	20	10		FBCDRP
C[NH+](C)CCN1C(=O)COCC12C[NH+](Cc1c(O)cc(O)cc1O)C2	ZINC001276553471	844077227	/nfs/dbraw/zinc/07/72/27/844077227.db2.gz	PNKLEDLGKLUNAE-UHFFFAOYSA-N	2	0	351.403	-0.222	20	10		FBCDRP
C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)cc2)CC1	ZINC001337069737	850797520	/nfs/dbraw/zinc/79/75/20/850797520.db2.gz	ZJTCWDHFPVEGSN-INIZCTEOSA-N	2	0	368.503	-0.183	20	10		FBCDRP