smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)c1nc2ccccc2s1	ZINC000014954511	210133381	/nfs/dbraw/zinc/13/33/81/210133381.db2.gz	AAZRQCBNNOOVFU-OLZOCXBDSA-N	2	0	388.497	0.979	1	0		GCAFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)c1nc2ccccc2s1	ZINC000013612361	210072253	/nfs/dbraw/zinc/07/22/53/210072253.db2.gz	AAZRQCBNNOOVFU-STQMWFEESA-N	2	0	388.497	0.979	1	0		GCAFRP
CC(C)OCCCNc1cc(OCC[NH+](C)C)nc(OCCCNC(N)=[NH2+])n1	ZINC000040428974	205065332	/nfs/dbraw/zinc/06/53/32/205065332.db2.gz	UPVJNOPEERCGMD-UHFFFAOYSA-N	2	0	397.524	0.896	1	0		GCAFRP
C[NH+](C)CCNC(=O)C1=CC=C(NCC[NH+](C)C)[C@H]2C(=O)c3ccccc3N[C@H]12	ZINC000100928256	211393949	/nfs/dbraw/zinc/39/39/49/211393949.db2.gz	KTGLOPGTNOFLNR-WOJBJXKFSA-N	2	0	397.523	0.933	1	0		GCAFRP
NC(=[NH2+])N[C@@H]1C[C@H](NC(N)=[NH2+])[C@@H](Oc2ccccn2)C[C@H]1Oc1ccccn1	ZINC000052565371	205133844	/nfs/dbraw/zinc/13/38/44/205133844.db2.gz	FOXXJAFIUUSCMK-KPWCQOOUSA-N	2	0	384.444	0.169	1	0		GCAFRP
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](O)[C@@H]([NH3+])CCCC[NH3+]	ZINC000013451227	210060991	/nfs/dbraw/zinc/06/09/91/210060991.db2.gz	CGMUBURMPMVFHE-USXIJHARSA-N	2	0	376.457	0.185	1	0		GCAFRP
CN1C(=O)[C@@H]2[C@H]([NH+]=C(N3CCC[C@H](C[NH3+])C3)N2Cc2ccccc2)N(C)C1=O	ZINC000036350330	205013254	/nfs/dbraw/zinc/01/32/54/205013254.db2.gz	GFJYYKSONZQLNI-IXDOHACOSA-N	2	0	384.484	0.747	1	0		GCAFRP
C[C@H]([NH3+])C(=O)Nc1cccc(-c2nn3c(nc(N4CC[NH2+]CC4)cc3=O)s2)c1	ZINC000064490905	136156941	/nfs/dbraw/zinc/15/69/41/136156941.db2.gz	DIMWJXUQWLWBOJ-NSHDSACASA-N	2	0	399.480	0.513	1	0		GCAFRP
CCc1c(C[NH3+])c(CC)c(CNC2=[NH+]CCN2)c(CC)c1CNC1=[NH+]CCN1	ZINC000001651692	212251752	/nfs/dbraw/zinc/25/17/52/212251752.db2.gz	ZNBVMSNGILHPJT-UHFFFAOYSA-N	3	0	385.560	0.930	1	0		GCAFRP
C[NH+](C)CCNC(=O)C1=CC=C(NCC[NH+](C)C)[C@@H]2C(=O)c3ccccc3N[C@@H]12	ZINC000100928264	208382405	/nfs/dbraw/zinc/38/24/05/208382405.db2.gz	KTGLOPGTNOFLNR-PMACEKPBSA-N	2	0	397.523	0.933	1	0		GCAFRP
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](O)[C@@H]([NH3+])CCCC[NH3+]	ZINC000013451231	206975158	/nfs/dbraw/zinc/97/51/58/206975158.db2.gz	CGMUBURMPMVFHE-UAGQMJEPSA-N	2	0	376.457	0.185	1	0		GCAFRP
Cc1csc(NC2=NC(=O)[C@H](N(C)C(=O)C[C@@H]([NH3+])CCCC[NH3+])CN2)n1	ZINC000026578523	207316289	/nfs/dbraw/zinc/31/62/89/207316289.db2.gz	IRXOGFFUWYGYJQ-NWDGAFQWSA-N	2	0	381.506	0.023	1	0		GCAFRP
NC(=[NH2+])Nc1ccc([C@H]2C[C@@H](O)[C@H](NC(N)=[NH2+])C[C@@H]2NC(N)=[NH2+])c2ccccc12	ZINC000028571795	207345125	/nfs/dbraw/zinc/34/51/25/207345125.db2.gz	BWIIUOWSZLQPQH-SLBVQIDZSA-N	3	0	397.487	0.087	1	0		GCAFRP
C[C@@H]([NH3+])C(=O)Nc1cccc(-c2nn3c(nc(N4CC[NH2+]CC4)cc3=O)s2)c1	ZINC000064502311	136156925	/nfs/dbraw/zinc/15/69/25/136156925.db2.gz	DIMWJXUQWLWBOJ-LLVKDONJSA-N	2	0	399.480	0.513	1	0		GCAFRP
CN1C(=O)[C@H]2[C@@H]([NH+]=C(N3CCC[C@@H](C[NH3+])C3)N2Cc2ccccc2)N(C)C1=O	ZINC000058678616	222056281	/nfs/dbraw/zinc/05/62/81/222056281.db2.gz	GFJYYKSONZQLNI-BBWFWOEESA-N	2	0	384.484	0.747	1	0		GCAFRP