smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Clc1cc2nc(C3CC[NH2+]CC3)n(Cc3ccc(C[NH2+]C4CCNCC4)cc3)c2cc1Cl	ZINC000003639576	562927489	/nfs/dbraw/zinc/92/74/89/562927489.db2.gz	AFPKWYYPRYIDLR-UHFFFAOYSA-N	2	3	472.464	4.700	1	0		JJAFHP
C[C@H](CO)[C@H]1CC[C@H]2[C@@H]3[C@H](F)C[C@H]4C[C@@H]([NH2+]CCCNCCCC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000028705459	563075403	/nfs/dbraw/zinc/07/54/03/563075403.db2.gz	GACNKXBDAFNARY-MUHPNKRVSA-N	2	3	479.769	4.899	1	0		JJAFHP
C[C@H](CO)[C@H]1CC[C@H]2[C@@H]3[C@H](F)C[C@H]4C[C@H]([NH2+]CCCNCCCC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000028705450	563075406	/nfs/dbraw/zinc/07/54/06/563075406.db2.gz	GACNKXBDAFNARY-GGBKSGMNSA-N	2	3	479.769	4.899	1	0		JJAFHP
[NH3+]CCCCNC(=O)[C@H](CCCC[NH2+]Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1	ZINC000013440131	562963025	/nfs/dbraw/zinc/96/30/25/562963025.db2.gz	ZFHHOLCVRAGHIE-LJAQVGFWSA-N	2	3	485.676	4.595	1	0		JJAFHP
C[C@H](CO)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]([NH2+]CCCNCCCC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000028705482	563075427	/nfs/dbraw/zinc/07/54/27/563075427.db2.gz	FIDDIKJIFFBZQA-XWEDIQBQSA-N	2	3	461.779	4.951	1	0		JJAFHP
COc1ccc(CNCCC[NH2+]CCCCCCCC[NH2+]CCCNCc2ccc(OC)cc2)cc1	ZINC000027652064	563048728	/nfs/dbraw/zinc/04/87/28/563048728.db2.gz	DIDDNDOFOUPAED-UHFFFAOYSA-N	2	3	498.756	4.883	1	0		JJAFHP
C[C@H](CO)[C@H]1CC[C@H]2[C@@H]3[C@@H](F)C[C@H]4C[C@H]([NH2+]CCCNCCCC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000028705462	563075373	/nfs/dbraw/zinc/07/53/73/563075373.db2.gz	GACNKXBDAFNARY-JTBCJSLRSA-N	2	3	479.769	4.899	1	0		JJAFHP
C[C@H](CO)[C@H]1CC[C@H]2[C@@H]3[C@@H](F)C[C@H]4C[C@@H]([NH2+]CCCNCCCC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000028705465	563075386	/nfs/dbraw/zinc/07/53/86/563075386.db2.gz	GACNKXBDAFNARY-VOCJDUCRSA-N	2	3	479.769	4.899	1	0		JJAFHP