smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+](C/C=C\C[NH3+])C[C@H]1O[C@@H](n2cnc3c2ncnc3N)C[C@@H]1O	ZINC000027558564	202157043	/nfs/dbraw/zinc/15/70/43/202157043.db2.gz	WJXVWCZSTHQCKL-YFXGRDGWSA-N	2	0	333.396	-0.496	1	0		EBAFRP
NC(=[NH2+])N[C@@H]1C[C@H](NC(N)=[NH2+])[C@@H](c2ccc3[nH]c(N)[nH+]c3c2)C[C@H]1O	ZINC000028571798	202172795	/nfs/dbraw/zinc/17/27/95/202172795.db2.gz	DAOXSQHDHQOLFB-OAIFWDMCSA-N	3	0	345.411	-0.913	1	0		EBAFRP
C/C=C\C=C\C(=O)N[C@H](C)[C@H](O)C[C@@H]([NH3+])CC(=O)NCCC(N)=[NH2+]	ZINC000004789733	210278394	/nfs/dbraw/zinc/27/83/94/210278394.db2.gz	HGBIYXQMCATWPJ-HPLJFFTKSA-N	2	0	339.440	-0.466	1	0		EBAFRP
CN1C(=O)[C@@H]2[C@@H]([NH+]=C(NCC[NH3+])N2Cc2ccccc2)N(C)C1=O	ZINC000036350327	213087932	/nfs/dbraw/zinc/08/79/32/213087932.db2.gz	JYUQKLNLSBQYPN-STQMWFEESA-N	2	0	330.392	-0.375	1	0		EBAFRP
N=c1n(CC(=O)CCC[NH3+])c2ccccc2n1CC(=O)NCCC[NH3+]	ZINC000101731269	219159532	/nfs/dbraw/zinc/15/95/32/219159532.db2.gz	GBZAHWROLZOONL-UHFFFAOYSA-N	2	0	346.435	-0.305	1	0		EBAFRP
CN1C(=O)[C@@H]2[C@H]([NH+]=C(NCC[NH3+])N2Cc2ccccc2)N(C)C1=O	ZINC000036350326	213087908	/nfs/dbraw/zinc/08/79/08/213087908.db2.gz	JYUQKLNLSBQYPN-QWHCGFSZSA-N	2	0	330.392	-0.375	1	0		EBAFRP
CN1C(=O)[C@H]2[C@@H]([NH+]=C(NCC[NH3+])N2Cc2ccccc2)N(C)C1=O	ZINC000036350329	213088042	/nfs/dbraw/zinc/08/80/42/213088042.db2.gz	JYUQKLNLSBQYPN-OLZOCXBDSA-N	2	0	330.392	-0.375	1	0		EBAFRP
[NH3+]CCCC[C@H]([NH3+])C(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+]	ZINC000003964492	210095996	/nfs/dbraw/zinc/09/59/96/210095996.db2.gz	XTNRHIZWLNLONB-HNNXBMFYSA-N	5	0	330.521	-0.743	1	0		EBAFRP
C/C=C\C=C\C(=O)NC[C@H](O)C[C@@H]([NH3+])CC(=O)NCCC(N)=[NH2+]	ZINC000004789732	210279314	/nfs/dbraw/zinc/27/93/14/210279314.db2.gz	OAXPQNCOMDEHMJ-FHNIRRRCSA-N	2	0	325.413	-0.854	1	0		EBAFRP
CN1C(=O)[C@H]2[C@H]([NH+]=C(NCC[NH3+])N2Cc2ccccc2)N(C)C1=O	ZINC000036350328	213087436	/nfs/dbraw/zinc/08/74/36/213087436.db2.gz	JYUQKLNLSBQYPN-CHWSQXEVSA-N	2	0	330.392	-0.375	1	0		EBAFRP