smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1C1C[NH2+]C1	ZINC001164746092	720861997	/nfs/dbraw/zinc/86/19/97/720861997.db2.gz	FPLNWQSDDHHIJI-KBAYOESNSA-N	2	0	439.524	1.043	20	5		IDBDRP
O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1C1C[NH2+]C1	ZINC001164746095	720862003	/nfs/dbraw/zinc/86/20/03/720862003.db2.gz	FPLNWQSDDHHIJI-RYQLBKOJSA-N	2	0	439.524	1.043	20	5		IDBDRP
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncnc(N3CC[NH2+]CC3)c1[N+](=O)[O-])[C@@H]2C	ZINC001164862672	720934944	/nfs/dbraw/zinc/93/49/44/720934944.db2.gz	WUMYALHCCVXDBA-OAHLLOKOSA-N	2	0	429.529	1.412	20	5		IDBDRP
CC(C)[N@H+]1[C@@H]2CCN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164843712	720651990	/nfs/dbraw/zinc/65/19/90/720651990.db2.gz	XDXAULXKYOFBQU-BPQIPLTHSA-N	2	0	426.525	1.646	20	5		IDBDRP
O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164899075	721518741	/nfs/dbraw/zinc/51/87/41/721518741.db2.gz	JXLJOIIWHJYNSM-WMZOPIPTSA-N	2	0	443.483	1.275	20	5		IDBDRP
O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1C1C[NH2+]C1	ZINC001164746082	720861876	/nfs/dbraw/zinc/86/18/76/720861876.db2.gz	FPLNWQSDDHHIJI-BPQIPLTHSA-N	2	0	439.524	1.043	20	5		IDBDRP
O=[N+]([O-])c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1C1C[NH2+]C1	ZINC001164976275	722158744	/nfs/dbraw/zinc/15/87/44/722158744.db2.gz	WJXXDDZVKXXEAK-QFBILLFUSA-N	2	0	425.493	1.194	20	5		IDBDRP
O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164899070	721518994	/nfs/dbraw/zinc/51/89/94/721518994.db2.gz	JXLJOIIWHJYNSM-SJLPKXTDSA-N	2	0	443.483	1.275	20	5		IDBDRP
CCOC(=O)C1CC[NH+](C2CCN(c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])CC2)CC1	ZINC001164613859	719023462	/nfs/dbraw/zinc/02/34/62/719023462.db2.gz	IGALAYKYCNXMTO-UHFFFAOYSA-N	2	0	447.540	1.038	20	5		IDBDRP
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)CC[C@@H]21	ZINC001164843713	720652733	/nfs/dbraw/zinc/65/27/33/720652733.db2.gz	XDXAULXKYOFBQU-NJAFHUGGSA-N	2	0	426.525	1.646	20	5		IDBDRP
O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164899063	721519053	/nfs/dbraw/zinc/51/90/53/721519053.db2.gz	JXLJOIIWHJYNSM-AEFFLSMTSA-N	2	0	443.483	1.275	20	5		IDBDRP
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)CC[C@@H]21	ZINC001164843715	720651730	/nfs/dbraw/zinc/65/17/30/720651730.db2.gz	XDXAULXKYOFBQU-SZMVWBNQSA-N	2	0	426.525	1.646	20	5		IDBDRP
O=[N+]([O-])c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1C1C[NH2+]C1	ZINC001164976263	722159186	/nfs/dbraw/zinc/15/91/86/722159186.db2.gz	WJXXDDZVKXXEAK-LPHOPBHVSA-N	2	0	425.493	1.194	20	5		IDBDRP
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncnc(N3CC[NH2+]CC3)c1[N+](=O)[O-])[C@H]2C	ZINC001164862670	720934574	/nfs/dbraw/zinc/93/45/74/720934574.db2.gz	WUMYALHCCVXDBA-HNNXBMFYSA-N	2	0	429.529	1.412	20	5		IDBDRP
O=[N+]([O-])c1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1C1C[NH2+]C1	ZINC001164966375	722062377	/nfs/dbraw/zinc/06/23/77/722062377.db2.gz	RRJXXKLVXVOQMG-UHFFFAOYSA-N	2	0	439.520	1.586	20	5		IDBDRP
O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1C1C[NH2+]C1	ZINC001164746085	720861920	/nfs/dbraw/zinc/86/19/20/720861920.db2.gz	FPLNWQSDDHHIJI-CGTJXYLNSA-N	2	0	439.524	1.043	20	5		IDBDRP
O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164899066	721518860	/nfs/dbraw/zinc/51/88/60/721518860.db2.gz	JXLJOIIWHJYNSM-FUHWJXTLSA-N	2	0	443.483	1.275	20	5		IDBDRP
O=[N+]([O-])c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1C1C[NH2+]C1	ZINC001164976278	722158595	/nfs/dbraw/zinc/15/85/95/722158595.db2.gz	WJXXDDZVKXXEAK-VQIMIIECSA-N	2	0	425.493	1.194	20	5		IDBDRP
CC(C)[N@H+]1[C@@H]2CCN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164843714	720653196	/nfs/dbraw/zinc/65/31/96/720653196.db2.gz	XDXAULXKYOFBQU-RYQLBKOJSA-N	2	0	426.525	1.646	20	5		IDBDRP
O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1	ZINC001164955550	722013816	/nfs/dbraw/zinc/01/38/16/722013816.db2.gz	WKXGHLWHBMYUAZ-UHFFFAOYSA-N	2	0	438.536	1.682	20	5		IDBDRP
O=[N+]([O-])c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1C1C[NH2+]C1	ZINC001164976262	722158790	/nfs/dbraw/zinc/15/87/90/722158790.db2.gz	WJXXDDZVKXXEAK-APWZRJJASA-N	2	0	425.493	1.194	20	5		IDBDRP