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+](C)(CC[N-]c1nc(-c2noc(NCC[N+](C)(C)CCC(=O)[O-])n2)no1)CCC(=O)[O-]	ZINC000008766856	554667277	/nfs/dbraw/zinc/66/72/77/554667277.db2.gz	GAEIJZZIXSVPFS-UHFFFAOYSA-P	-1	1	456.504	0.046	40	5		JCBBMM
NC(=O)C1CCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)CC1	ZINC000022610412	526858994	/nfs/dbraw/zinc/85/89/94/526858994.db2.gz	OUMHOSKBCOOBGB-CYBMUJFWSA-N	-1	1	455.431	0.444	40	5		JCBBMM
NC(=O)C1CCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)CC1	ZINC000022610414	526859573	/nfs/dbraw/zinc/85/95/73/526859573.db2.gz	OUMHOSKBCOOBGB-ZDUSSCGKSA-N	-1	1	455.431	0.444	40	5		JCBBMM
NC(=O)C1CCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC(=O)N3)CC1	ZINC000022610439	526859206	/nfs/dbraw/zinc/85/92/06/526859206.db2.gz	DWDPEHRKUFVDOF-CYBMUJFWSA-N	-1	1	455.431	0.444	40	5		JCBBMM
NC(=O)C1CCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC(=O)N3)CC1	ZINC000022610441	526859959	/nfs/dbraw/zinc/85/99/59/526859959.db2.gz	DWDPEHRKUFVDOF-ZDUSSCGKSA-N	-1	1	455.431	0.444	40	5		JCBBMM
NC(=O)C1CCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)CC1	ZINC000022610474	526859261	/nfs/dbraw/zinc/85/92/61/526859261.db2.gz	BBKXYQRUDNROKJ-LLVKDONJSA-N	-1	1	455.431	0.444	40	5		JCBBMM
NC(=O)C1CCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)CC1	ZINC000022610476	526859426	/nfs/dbraw/zinc/85/94/26/526859426.db2.gz	BBKXYQRUDNROKJ-NSHDSACASA-N	-1	1	455.431	0.444	40	5		JCBBMM
Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[n-]c(=O)c32)cc1[N+](=O)[O-]	ZINC000022610486	525199545	/nfs/dbraw/zinc/19/95/45/525199545.db2.gz	XBSOSIQBHPYFIH-CYBMUJFWSA-N	-1	1	469.458	0.753	40	5		JCBBMM
Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[n-]c(=O)c32)cc1[N+](=O)[O-]	ZINC000022610488	525219301	/nfs/dbraw/zinc/21/93/01/525219301.db2.gz	XBSOSIQBHPYFIH-ZDUSSCGKSA-N	-1	1	469.458	0.753	40	5		JCBBMM
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC(C(N)=O)CC3)[n-]c(=O)c21	ZINC000022610520	526082967	/nfs/dbraw/zinc/08/29/67/526082967.db2.gz	ZKHFQGYRPIUEEX-CYBMUJFWSA-N	-1	1	469.458	0.753	40	5		JCBBMM
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC(C(N)=O)CC3)[n-]c(=O)c21	ZINC000022610523	526082603	/nfs/dbraw/zinc/08/26/03/526082603.db2.gz	ZKHFQGYRPIUEEX-ZDUSSCGKSA-N	-1	1	469.458	0.753	40	5		JCBBMM
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC(C(N)=O)CC3)[n-]c(=O)c21	ZINC000038828097	569808132	/nfs/dbraw/zinc/80/81/32/569808132.db2.gz	WFGMUBUIOWKAPH-CYBMUJFWSA-N	-1	1	469.458	0.753	40	5		JCBBMM
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC(C(N)=O)CC3)[n-]c(=O)c21	ZINC000038828098	569807964	/nfs/dbraw/zinc/80/79/64/569807964.db2.gz	WFGMUBUIOWKAPH-ZDUSSCGKSA-N	-1	1	469.458	0.753	40	5		JCBBMM