smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@@H]1C[C@H]([NH3+])CN(c2nc(Nc3ccc4[nH]c[nH+]c4c3)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)C1	ZINC000040576415	563105302	/nfs/dbraw/zinc/10/53/02/563105302.db2.gz	LNCZZYFRPOROKD-KPWCQOOUSA-N	5	2	438.544	-0.779	1	0		IBAFLP
COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OC(C)(C)C	ZINC000045289520	563128641	/nfs/dbraw/zinc/12/86/41/563128641.db2.gz	YOJXHVFYJOGZLE-STQMWFEESA-N	2	2	425.490	-0.233	1	0		IBAFLP
COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OC(C)(C)C	ZINC000045289520	563128640	/nfs/dbraw/zinc/12/86/40/563128640.db2.gz	YOJXHVFYJOGZLE-STQMWFEESA-N	2	2	425.490	-0.233	1	0		IBAFLP
C[NH+](C)c1ccc(Nc2nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)cc1	ZINC000052971487	563140927	/nfs/dbraw/zinc/14/09/27/563140927.db2.gz	FVDWLPGPTMXJCY-GEEKYZPCSA-N	5	2	441.588	-0.589	1	0		IBAFLP
NC(=[NH2+])NCCC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000095560671	563182272	/nfs/dbraw/zinc/18/22/72/563182272.db2.gz	SSXJRSATGCHRKV-AFYXXPPBSA-N	2	2	440.508	-0.616	1	0		IBAFLP