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)[C@@H]([NH3+])CC(N)=O)CC2)cc1	ZINC000269708184	483478151	/nfs/dbraw/zinc/47/81/51/483478151.db2.gz	NILNDABUBWKYLV-INIZCTEOSA-N	2	1	363.462	-0.474	20	10		FBCDMP
COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]([NH3+])CC(N)=O)CC2)cc1	ZINC000269708187	483477600	/nfs/dbraw/zinc/47/76/00/483477600.db2.gz	NILNDABUBWKYLV-MRXNPFEDSA-N	2	1	363.462	-0.474	20	10		FBCDMP
C[NH+]1CCN(c2ccc(C[N@H+]3CCN4[C@@H](CNS4(=O)=O)C3)cc2)CC1	ZINC000897279608	659879346	/nfs/dbraw/zinc/87/93/46/659879346.db2.gz	UTNPUDCUBXYJQE-KRWDZBQOSA-N	2	1	365.503	-0.227	20	10		FBCDMP
C[NH+]1CCN(c2ccc(C[N@@H+]3CCN4[C@@H](CNS4(=O)=O)C3)cc2)CC1	ZINC000897279608	659879343	/nfs/dbraw/zinc/87/93/43/659879343.db2.gz	UTNPUDCUBXYJQE-KRWDZBQOSA-N	2	1	365.503	-0.227	20	10		FBCDMP
C[NH+]1CCN(c2ccc(C[N@H+]3CCN4[C@H](CNS4(=O)=O)C3)cc2)CC1	ZINC000897279609	659879201	/nfs/dbraw/zinc/87/92/01/659879201.db2.gz	UTNPUDCUBXYJQE-QGZVFWFLSA-N	2	1	365.503	-0.227	20	10		FBCDMP
C[NH+]1CCN(c2ccc(C[N@@H+]3CCN4[C@H](CNS4(=O)=O)C3)cc2)CC1	ZINC000897279609	659879197	/nfs/dbraw/zinc/87/91/97/659879197.db2.gz	UTNPUDCUBXYJQE-QGZVFWFLSA-N	2	1	365.503	-0.227	20	10		FBCDMP
COc1ccc(N2CCN(C[C@H](O)C[N@@H+](C)C[C@@H](O)C[NH3+])CC2)cc1	ZINC000923366597	660516901	/nfs/dbraw/zinc/51/69/01/660516901.db2.gz	NXKONESFECOUFB-DLBZAZTESA-N	2	1	352.479	-0.571	20	10		FBCDMP
COc1ccc(N2CCN(C[C@H](O)C[N@H+](C)C[C@@H](O)C[NH3+])CC2)cc1	ZINC000923366597	660516899	/nfs/dbraw/zinc/51/68/99/660516899.db2.gz	NXKONESFECOUFB-DLBZAZTESA-N	2	1	352.479	-0.571	20	10		FBCDMP
COc1ccc(N2CCN(C[C@H](O)C[N@@H+](C)C[C@H](O)C[NH3+])CC2)cc1	ZINC000923366602	660516854	/nfs/dbraw/zinc/51/68/54/660516854.db2.gz	NXKONESFECOUFB-IAGOWNOFSA-N	2	1	352.479	-0.571	20	10		FBCDMP
COc1ccc(N2CCN(C[C@H](O)C[N@H+](C)C[C@H](O)C[NH3+])CC2)cc1	ZINC000923366602	660516853	/nfs/dbraw/zinc/51/68/53/660516853.db2.gz	NXKONESFECOUFB-IAGOWNOFSA-N	2	1	352.479	-0.571	20	10		FBCDMP
COc1ccc(N2CCN(C[C@@H](O)C[N@@H+](C)C[C@@H](O)C[NH3+])CC2)cc1	ZINC000923366604	660516880	/nfs/dbraw/zinc/51/68/80/660516880.db2.gz	NXKONESFECOUFB-IRXDYDNUSA-N	2	1	352.479	-0.571	20	10		FBCDMP
COc1ccc(N2CCN(C[C@@H](O)C[N@H+](C)C[C@@H](O)C[NH3+])CC2)cc1	ZINC000923366604	660516879	/nfs/dbraw/zinc/51/68/79/660516879.db2.gz	NXKONESFECOUFB-IRXDYDNUSA-N	2	1	352.479	-0.571	20	10		FBCDMP
COc1ccc(N2CCN(C[C@@H](O)C[N@@H+](C)C[C@H](O)C[NH3+])CC2)cc1	ZINC000923366606	660516861	/nfs/dbraw/zinc/51/68/61/660516861.db2.gz	NXKONESFECOUFB-SJORKVTESA-N	2	1	352.479	-0.571	20	10		FBCDMP
COc1ccc(N2CCN(C[C@@H](O)C[N@H+](C)C[C@H](O)C[NH3+])CC2)cc1	ZINC000923366606	660516860	/nfs/dbraw/zinc/51/68/60/660516860.db2.gz	NXKONESFECOUFB-SJORKVTESA-N	2	1	352.479	-0.571	20	10		FBCDMP
[NH3+][C@H](CC(=O)NCCS(=O)(=O)N1CC[NH2+]CC1)c1ccccc1O	ZINC001219678546	844952821	/nfs/dbraw/zinc/95/28/21/844952821.db2.gz	SHTATWINCIMYDJ-CYBMUJFWSA-N	2	1	356.448	-0.867	20	10		FBCDMP
COC(=O)Cc1ccc(C[NH+]2CCNCC[NH2+]CCNCC2)c(O)c1	ZINC001235876560	846032850	/nfs/dbraw/zinc/03/28/50/846032850.db2.gz	ZAHUZCAPBZNNIO-UHFFFAOYSA-N	2	1	350.463	-0.308	20	10		FBCDMP
COC(=O)CNC(=O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1	ZINC001333368525	850358837	/nfs/dbraw/zinc/35/88/37/850358837.db2.gz	GNTYRQSPOYFARF-UHFFFAOYSA-N	2	1	352.410	-0.044	20	10		FBCDMP