smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCC1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1	ZINC000160635740	354239031	/nfs/dbraw/zinc/23/90/31/354239031.db2.gz	FUCGCOCBMCVQLM-QGZVFWFLSA-N	2	0	322.497	1.844	20	70		DDIDRP
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCN1CCCC1=O	ZINC000159552899	408415206	/nfs/dbraw/zinc/41/52/06/408415206.db2.gz	QYRMORVZOOQJAY-IKGGRYGDSA-N	2	0	323.481	1.478	20	70		DDIDRP
[NH3+][C@H]1CCC[C@@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)C1	ZINC000160980940	484071193	/nfs/dbraw/zinc/07/11/93/484071193.db2.gz	YWOUIECXCCWJOW-LSDHHAIUSA-N	2	0	309.454	1.408	20	70		DDIDRP
C[C@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)N1CCc2ccccc2C1	ZINC000160978460	484071578	/nfs/dbraw/zinc/07/15/78/484071578.db2.gz	UXOSUNGFYWSPDZ-XOKHGSTOSA-N	2	0	301.434	1.819	20	70		DDIDRP
CC[N@@H+]1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1	ZINC000159920624	285209846	/nfs/dbraw/zinc/20/98/46/285209846.db2.gz	WYHPTHWUBOFRGM-MQVJKMGUSA-N	2	0	308.470	1.739	20	70		DDIDRP
[NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2)C1	ZINC000161137358	408563494	/nfs/dbraw/zinc/56/34/94/408563494.db2.gz	KQIOEFYSTYIWTE-GFCCVEGCSA-N	2	0	313.804	1.766	20	70		DDIDRP
C[C@H](CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccncc1	ZINC000159972812	539219160	/nfs/dbraw/zinc/21/91/60/539219160.db2.gz	NRJLLRLHCOHZJB-OAHLLOKOSA-N	2	0	306.454	1.527	20	70		DDIDRP
CC[N@@H+]1CCCN(C(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)CC1	ZINC000159974948	408448990	/nfs/dbraw/zinc/44/89/90/408448990.db2.gz	FBLWPQLMXMXVNM-INIZCTEOSA-N	2	0	310.486	1.702	20	70		DDIDRP
CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)CC1	ZINC000159713388	408426967	/nfs/dbraw/zinc/42/69/67/408426967.db2.gz	UMTSGZUDJALYJK-ZBFHGGJFSA-N	2	0	311.470	1.068	20	70		DDIDRP
O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000160656287	354239873	/nfs/dbraw/zinc/23/98/73/354239873.db2.gz	LUOUGUVGNWXRGD-DLBZAZTESA-N	2	0	320.481	1.741	20	70		DDIDRP
CC[N@@H+]1CCCN(C(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)CC1	ZINC000159740532	285211135	/nfs/dbraw/zinc/21/11/35/285211135.db2.gz	NHDIUPFUSMZZNY-HOTGVXAUSA-N	2	0	310.486	1.844	20	70		DDIDRP
CC[N@@H+]1CCCN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1	ZINC000159774423	408432468	/nfs/dbraw/zinc/43/24/68/408432468.db2.gz	FZOZDSJWAHFXPU-INIZCTEOSA-N	2	0	310.486	1.844	20	70		DDIDRP
C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(CN2CCOCC2)cc1	ZINC000160599028	408502920	/nfs/dbraw/zinc/50/29/20/408502920.db2.gz	HMVNDJZMFFKULT-APWZRJJASA-N	2	0	317.477	1.949	20	70		DDIDRP
O=C(NC[C@H]1CCC[N@H+](Cc2ccsc2)C1)[C@@H]1CCC[NH2+]1	ZINC000217031763	163330797	/nfs/dbraw/zinc/33/07/97/163330797.db2.gz	KIRMKRLLZWGKHR-HIFRSBDPSA-N	2	0	307.463	1.828	20	70		DDIDRP
CCC[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)[NH+](C)C	ZINC000159479725	162148233	/nfs/dbraw/zinc/14/82/33/162148233.db2.gz	ZFWSDFWDZKZYGY-HNNXBMFYSA-N	2	0	319.453	1.502	20	70		DDIDRP
CC[N@@H+]1CCCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1	ZINC000159531320	408414358	/nfs/dbraw/zinc/41/43/58/408414358.db2.gz	QFCQWVPUDVNIMJ-UHFFFAOYSA-N	2	0	310.486	1.988	20	70		DDIDRP
C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1	ZINC000160722055	408517086	/nfs/dbraw/zinc/51/70/86/408517086.db2.gz	QUDVHTDCMHFPPA-DLBZAZTESA-N	2	0	301.434	1.861	20	70		DDIDRP
C[NH+](C)Cc1cccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1	ZINC000160388499	408478258	/nfs/dbraw/zinc/47/82/58/408478258.db2.gz	YJQYPDWNRNGKOS-QGZVFWFLSA-N	2	0	319.449	1.325	20	70		DDIDRP
CC[NH+]1CCN(c2ccc(C[NH2+][C@H](COC)C3CC3)cn2)CC1	ZINC000159542306	408415398	/nfs/dbraw/zinc/41/53/98/408415398.db2.gz	ODORNYLIFSOBSC-QGZVFWFLSA-N	2	0	318.465	1.738	20	70		DDIDRP
[NH3+]C[C@H]1CCCN1C(=O)c1ccc(C[NH+]2CCSCC2)cc1	ZINC000160258526	408468825	/nfs/dbraw/zinc/46/88/25/408468825.db2.gz	XPKYTXDMPYCXST-MRXNPFEDSA-N	2	0	319.474	1.799	20	70		DDIDRP
CC[N@@H+]1CCCN(C(=O)NC[C@H]2CC[NH+](CC(C)C)C2)CC1	ZINC000159975088	408449845	/nfs/dbraw/zinc/44/98/45/408449845.db2.gz	FBLWPQLMXMXVNM-MRXNPFEDSA-N	2	0	310.486	1.702	20	70		DDIDRP
C[C@@H]1C[N@@H+](CC2CC[NH+](CCn3ccnc3)CC2)C[C@H](C)O1	ZINC000159794371	408436376	/nfs/dbraw/zinc/43/63/76/408436376.db2.gz	QWTRYYQPOTUURT-IYBDPMFKSA-N	2	0	306.454	1.704	20	70		DDIDRP
CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000160353407	408475119	/nfs/dbraw/zinc/47/51/19/408475119.db2.gz	MIDAOXGHWQYGCL-KRWDZBQOSA-N	2	0	316.449	1.278	20	70		DDIDRP
CC[N@@H+]1CCCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC1	ZINC000159660240	186133469	/nfs/dbraw/zinc/13/34/69/186133469.db2.gz	HAWHJYVBLXTGEB-UHFFFAOYSA-N	2	0	318.465	1.985	20	70		DDIDRP
CCC[NH+]1CCC(CNC(=O)[C@@H]2CCn3ccnc3C2)CC1	ZINC000161071674	408555932	/nfs/dbraw/zinc/55/59/32/408555932.db2.gz	GBGPYWLQYYGMJJ-OAHLLOKOSA-N	2	0	304.438	1.684	20	70		DDIDRP
COc1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)c(OC)c1	ZINC000161287786	197482195	/nfs/dbraw/zinc/48/21/95/197482195.db2.gz	JZEZGTQYMOACHB-UHFFFAOYSA-N	2	0	321.465	1.773	20	70		DDIDRP
CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)N1C[C@@H](C)O[C@@H](C)C1	ZINC000161425558	484074666	/nfs/dbraw/zinc/07/46/66/484074666.db2.gz	RYTOWIVCAPEDFE-NPJQDHAYSA-N	2	0	311.470	1.506	20	70		DDIDRP
CC[NH+](CC)CCSCC(=O)NCC1([NH3+])CCCCC1	ZINC000159528510	221694773	/nfs/dbraw/zinc/69/47/73/221694773.db2.gz	JCASIDFZRYZDMI-UHFFFAOYSA-N	2	0	301.500	1.839	20	70		DDIDRP
C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1	ZINC000160754486	408520122	/nfs/dbraw/zinc/52/01/22/408520122.db2.gz	MBKWMZICIBMEHF-INIZCTEOSA-N	2	0	316.449	1.019	20	70		DDIDRP
[NH3+][C@@H]1CCC[C@@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)C1	ZINC000160981186	484071332	/nfs/dbraw/zinc/07/13/32/484071332.db2.gz	YWOUIECXCCWJOW-HUUCEWRRSA-N	2	0	309.454	1.408	20	70		DDIDRP
O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC([NH2+]CC2CC2)CC1	ZINC000159825355	408436026	/nfs/dbraw/zinc/43/60/26/408436026.db2.gz	OCAPQXLAGNGKKF-ZXFUBFMLSA-N	2	0	305.466	1.898	20	70		DDIDRP
COC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C1CC1	ZINC000161290532	408583124	/nfs/dbraw/zinc/58/31/24/408583124.db2.gz	KVIBTXJABKHMDW-QGZVFWFLSA-N	2	0	319.449	1.493	20	70		DDIDRP
COc1ccc(CNC(=O)C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1	ZINC000161015341	539220740	/nfs/dbraw/zinc/22/07/40/539220740.db2.gz	HYCMUMLQLQWCJP-CQSZACIVSA-N	2	0	319.449	1.631	20	70		DDIDRP
C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1	ZINC000160721949	408517722	/nfs/dbraw/zinc/51/77/22/408517722.db2.gz	QUDVHTDCMHFPPA-IAGOWNOFSA-N	2	0	301.434	1.861	20	70		DDIDRP
COC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C(C)C	ZINC000161264487	408579550	/nfs/dbraw/zinc/57/95/50/408579550.db2.gz	NQOIOCKQNHDLJT-QGZVFWFLSA-N	2	0	321.465	1.739	20	70		DDIDRP
COc1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1F	ZINC000161303895	408584966	/nfs/dbraw/zinc/58/49/66/408584966.db2.gz	QLZYVHAGEPKYIO-UHFFFAOYSA-N	2	0	309.429	1.904	20	70		DDIDRP
CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1	ZINC000160303505	197399312	/nfs/dbraw/zinc/39/93/12/197399312.db2.gz	HTFVZFFOHGBBKG-OAHLLOKOSA-N	2	0	305.422	1.580	20	70		DDIDRP
Cc1ncc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(C)n1	ZINC000160695552	408512246	/nfs/dbraw/zinc/51/22/46/408512246.db2.gz	CUISDFPSVKDQDZ-CZUORRHYSA-N	2	0	306.454	1.981	20	70		DDIDRP
CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](CC2CC2)C1	ZINC000160722438	408518468	/nfs/dbraw/zinc/51/84/68/408518468.db2.gz	UEPKPDHKZXSZSY-HZPDHXFCSA-N	2	0	308.470	1.452	20	70		DDIDRP
O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000160656017	354240180	/nfs/dbraw/zinc/24/01/80/354240180.db2.gz	LUOUGUVGNWXRGD-IAGOWNOFSA-N	2	0	320.481	1.741	20	70		DDIDRP
CC[N@@H+]1CCCN(C(=O)NC2CC[NH+](CC(C)C)CC2)CC1	ZINC000159580270	285210153	/nfs/dbraw/zinc/21/01/53/285210153.db2.gz	ZMQDLGPINRZILB-UHFFFAOYSA-N	2	0	310.486	1.844	20	70		DDIDRP
C[NH+](C)CCN(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C1CCCC1	ZINC000160705506	408514959	/nfs/dbraw/zinc/51/49/59/408514959.db2.gz	ADQZIVKOPGKBBT-OAHLLOKOSA-N	2	0	322.497	1.987	20	70		DDIDRP
Cc1ccc(CN(C)Cc2cnc(N3CCN(C)CC3)nc2)o1	ZINC000160864649	408532759	/nfs/dbraw/zinc/53/27/59/408532759.db2.gz	MWCDCHDEVNMINI-UHFFFAOYSA-N	2	0	315.421	1.762	20	70		DDIDRP
CC[N@@H+]1CCCN(C(=O)N[C@H](C)C[NH+]2CCC[C@H](C)C2)CC1	ZINC000159740695	285214139	/nfs/dbraw/zinc/21/41/39/285214139.db2.gz	NHDIUPFUSMZZNY-JKSUJKDBSA-N	2	0	310.486	1.844	20	70		DDIDRP
CCC[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)[NH+](C)C	ZINC000159479861	162148932	/nfs/dbraw/zinc/14/89/32/162148932.db2.gz	ZFWSDFWDZKZYGY-OAHLLOKOSA-N	2	0	319.453	1.502	20	70		DDIDRP
C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1	ZINC000160721686	408517157	/nfs/dbraw/zinc/51/71/57/408517157.db2.gz	QUDVHTDCMHFPPA-SJORKVTESA-N	2	0	301.434	1.861	20	70		DDIDRP
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1	ZINC000160809649	408525763	/nfs/dbraw/zinc/52/57/63/408525763.db2.gz	CETDCKJLSLZYPN-BFYDXBDKSA-N	2	0	320.481	1.881	20	70		DDIDRP
O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CC[NH+]2CCCC[C@@H]2C1	ZINC000160845234	408529713	/nfs/dbraw/zinc/52/97/13/408529713.db2.gz	LIKKMFKTQBBQJU-DOTOQJQBSA-N	2	0	320.481	1.883	20	70		DDIDRP
C[C@H](O)[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1	ZINC000160718396	484067589	/nfs/dbraw/zinc/06/75/89/484067589.db2.gz	PPUDFEQMFZHUQI-UAGQMJEPSA-N	2	0	319.449	1.108	20	70		DDIDRP
C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1CN1CCOCC1	ZINC000160462561	524563318	/nfs/dbraw/zinc/56/33/18/524563318.db2.gz	DNBFCPWHVGJODY-LPHOPBHVSA-N	2	0	317.477	1.949	20	70		DDIDRP
CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)CC1	ZINC000159713244	408428265	/nfs/dbraw/zinc/42/82/65/408428265.db2.gz	UMTSGZUDJALYJK-HOCLYGCPSA-N	2	0	311.470	1.068	20	70		DDIDRP
OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C1CCN(CC(F)F)CC1	ZINC000160705634	408514751	/nfs/dbraw/zinc/51/47/51/408514751.db2.gz	GKHQTEUNWYLJAY-HNNXBMFYSA-N	2	0	319.440	1.542	20	70		DDIDRP
CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000160827227	408527533	/nfs/dbraw/zinc/52/75/33/408527533.db2.gz	HOWMVHWBORJIEO-HNNXBMFYSA-N	2	0	308.470	1.741	20	70		DDIDRP
CCN(Cc1ccccn1)[C@H](C)C(=O)N1CCN(CC)CC1	ZINC000161095781	408559989	/nfs/dbraw/zinc/55/99/89/408559989.db2.gz	IVVDURQCFSTUPJ-OAHLLOKOSA-N	2	0	304.438	1.456	20	70		DDIDRP
CCC[NH+]1CCC(CNC(=O)[C@H]2CCn3ccnc3C2)CC1	ZINC000161071791	408556679	/nfs/dbraw/zinc/55/66/79/408556679.db2.gz	GBGPYWLQYYGMJJ-HNNXBMFYSA-N	2	0	304.438	1.684	20	70		DDIDRP
Cc1ncc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(C)n1	ZINC000160695691	279157489	/nfs/dbraw/zinc/15/74/89/279157489.db2.gz	CUISDFPSVKDQDZ-XJKSGUPXSA-N	2	0	306.454	1.981	20	70		DDIDRP
CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](C)C[C@@H]1C(C)C	ZINC000159625228	408422723	/nfs/dbraw/zinc/42/27/23/408422723.db2.gz	LZBRGWKGXZAOPG-JKSUJKDBSA-N	2	0	310.486	1.842	20	70		DDIDRP
O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CC[NH+]2CCCC[C@@H]2C1	ZINC000160845366	408528768	/nfs/dbraw/zinc/52/87/68/408528768.db2.gz	LIKKMFKTQBBQJU-NVXWUHKLSA-N	2	0	320.481	1.883	20	70		DDIDRP
O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CC[NH+](CC2CC2)CC1	ZINC000160714304	484067412	/nfs/dbraw/zinc/06/74/12/484067412.db2.gz	SODTWNMHMXYDQN-MRXNPFEDSA-N	2	0	306.454	1.208	20	70		DDIDRP
CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1	ZINC000216917307	484142725	/nfs/dbraw/zinc/14/27/25/484142725.db2.gz	JHVOWJRKJQMQMK-DLBZAZTESA-N	2	0	322.497	1.987	20	70		DDIDRP
CC(=O)NC1CCC([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)CC1	ZINC000161267776	408579012	/nfs/dbraw/zinc/57/90/12/408579012.db2.gz	KWLWSNSYQRWKEB-DAWZGUTISA-N	2	0	324.513	1.295	20	70		DDIDRP
C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1CCNS(C)(=O)=O	ZINC000161431683	408603387	/nfs/dbraw/zinc/60/33/87/408603387.db2.gz	KJPWSKCSPIROOM-LSDHHAIUSA-N	2	0	317.499	1.265	20	70		DDIDRP
CC[C@@H](COC)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000161275291	197480807	/nfs/dbraw/zinc/48/08/07/197480807.db2.gz	CLDYGHKFOHYZPK-INIZCTEOSA-N	2	0	307.438	1.493	20	70		DDIDRP
O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CC[NH+](C2CCCC2)CC1	ZINC000160618973	354239147	/nfs/dbraw/zinc/23/91/47/354239147.db2.gz	POYBMFDYJSHCEP-MRXNPFEDSA-N	2	0	320.481	1.741	20	70		DDIDRP
C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC[NH+](C)C	ZINC000159947764	408447052	/nfs/dbraw/zinc/44/70/52/408447052.db2.gz	MSSIIGRONBMSMQ-HOCLYGCPSA-N	2	0	304.438	1.368	20	70		DDIDRP
CC[C@@H](COC)[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000159534974	408414478	/nfs/dbraw/zinc/41/44/78/408414478.db2.gz	NBOKALWLGYJRLD-INIZCTEOSA-N	2	0	306.454	1.738	20	70		DDIDRP
C[NH+](C)CCCC1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1	ZINC000160978006	408547620	/nfs/dbraw/zinc/54/76/20/408547620.db2.gz	IEBMZHCZAVIWJF-INIZCTEOSA-N	2	0	310.486	1.844	20	70		DDIDRP
COC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C(C)C	ZINC000161264607	408579100	/nfs/dbraw/zinc/57/91/00/408579100.db2.gz	NQOIOCKQNHDLJT-KRWDZBQOSA-N	2	0	321.465	1.739	20	70		DDIDRP
COC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C1CC1	ZINC000161290399	522751793	/nfs/dbraw/zinc/75/17/93/522751793.db2.gz	KVIBTXJABKHMDW-KRWDZBQOSA-N	2	0	319.449	1.493	20	70		DDIDRP
CC[NH+]1CCC(CCNC(=O)N2CCC[N@H+](CC)CC2)CC1	ZINC000159912716	408443446	/nfs/dbraw/zinc/44/34/46/408443446.db2.gz	VZCAZKMJCCHPKH-UHFFFAOYSA-N	2	0	310.486	1.846	20	70		DDIDRP
CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1	ZINC000160772930	354240861	/nfs/dbraw/zinc/24/08/61/354240861.db2.gz	PHEVTVFWTVSQQF-MRXNPFEDSA-N	2	0	308.470	1.643	20	70		DDIDRP
Cc1ccc(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)nc1	ZINC000160080079	408453993	/nfs/dbraw/zinc/45/39/93/408453993.db2.gz	VPZNCBHFZSCZIT-GOSISDBHSA-N	2	0	302.466	1.992	20	70		DDIDRP
O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CC[NH+](C2CCCC2)CC1	ZINC000160619103	354239223	/nfs/dbraw/zinc/23/92/23/354239223.db2.gz	POYBMFDYJSHCEP-INIZCTEOSA-N	2	0	320.481	1.741	20	70		DDIDRP
C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1	ZINC000159453549	197355158	/nfs/dbraw/zinc/35/51/58/197355158.db2.gz	FNVJFMLYQJSXCK-HLLBOEOZSA-N	2	0	319.449	1.078	20	70		DDIDRP
CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1	ZINC000160327854	408471254	/nfs/dbraw/zinc/47/12/54/408471254.db2.gz	JKXXTWMSDUVYHE-UYSNPLJNSA-N	2	0	310.486	1.890	20	70		DDIDRP
COC[C@@H](Cc1ccccc1)[NH2+]CCN1CCC([NH+](C)C)CC1	ZINC000160221063	197393947	/nfs/dbraw/zinc/39/39/47/197393947.db2.gz	QJUNJYYLNOKRMS-GOSISDBHSA-N	2	0	319.493	1.860	20	70		DDIDRP
CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)COC)CC1	ZINC000160363348	248314882	/nfs/dbraw/zinc/31/48/82/248314882.db2.gz	ZOXIJDRPJASIGE-INIZCTEOSA-N	2	0	305.466	1.949	20	70		DDIDRP
C[NH+](CCCC[N@@H+](C)C[C@@H]1CCC[C@@H]1O)C[C@@H]1CCC[C@@H]1O	ZINC000159800754	408436557	/nfs/dbraw/zinc/43/65/57/408436557.db2.gz	DHBQKKRAFGKQOV-XSLAGTTESA-N	2	0	312.498	1.952	20	70		DDIDRP
C[C@H](O)[C@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1	ZINC000160718662	484067764	/nfs/dbraw/zinc/06/77/64/484067764.db2.gz	PPUDFEQMFZHUQI-XIRDDKMYSA-N	2	0	319.449	1.108	20	70		DDIDRP
C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCCC[C@@H]1CO)c1ccccc1	ZINC000159460197	197355053	/nfs/dbraw/zinc/35/50/53/197355053.db2.gz	SUUCLCRMLJGEQJ-IAGOWNOFSA-N	2	0	319.449	1.252	20	70		DDIDRP
CC[N@@H+]1CCCN(C(=O)NC[C@H]2CCC[NH+](C(C)C)C2)CC1	ZINC000159823942	408435658	/nfs/dbraw/zinc/43/56/58/408435658.db2.gz	UKZSDUXECUDWTF-MRXNPFEDSA-N	2	0	310.486	1.844	20	70		DDIDRP
CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)COC)CC1	ZINC000160363459	408475234	/nfs/dbraw/zinc/47/52/34/408475234.db2.gz	ZOXIJDRPJASIGE-MRXNPFEDSA-N	2	0	305.466	1.949	20	70		DDIDRP
C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1	ZINC000160844462	282184796	/nfs/dbraw/zinc/18/47/96/282184796.db2.gz	BEXYHVIWKLCMGF-GOEBONIOSA-N	2	0	308.470	1.739	20	70		DDIDRP
CC[N@@H+]1CCCN(C(=O)NCCC[NH+]2CCC(C)CC2)CC1	ZINC000159556290	408417471	/nfs/dbraw/zinc/41/74/71/408417471.db2.gz	KSUURNPNWPQTJB-UHFFFAOYSA-N	2	0	310.486	1.846	20	70		DDIDRP
COC[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CC1	ZINC000160626983	408506215	/nfs/dbraw/zinc/50/62/15/408506215.db2.gz	SWZYRMNUMIYVMR-SJORKVTESA-N	2	0	319.449	1.420	20	70		DDIDRP
C[C@@H](CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccncc1	ZINC000159972680	539219223	/nfs/dbraw/zinc/21/92/23/539219223.db2.gz	NRJLLRLHCOHZJB-HNNXBMFYSA-N	2	0	306.454	1.527	20	70		DDIDRP
CC[NH+](CC)CCSCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000161379363	408598417	/nfs/dbraw/zinc/59/84/17/408598417.db2.gz	WWKQTMMPJZEKCK-YIONKMFJSA-N	2	0	313.511	1.803	20	70		DDIDRP
CC[C@H](COC)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000161275428	197480515	/nfs/dbraw/zinc/48/05/15/197480515.db2.gz	CLDYGHKFOHYZPK-MRXNPFEDSA-N	2	0	307.438	1.493	20	70		DDIDRP
CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)[C@H]3CCOC3)cn2)CC1	ZINC000159476534	162147290	/nfs/dbraw/zinc/14/72/90/162147290.db2.gz	BZFYEKMOKKPCCE-WBVHZDCISA-N	2	0	318.465	1.738	20	70		DDIDRP
C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1	ZINC000160844223	282184355	/nfs/dbraw/zinc/18/43/55/282184355.db2.gz	BEXYHVIWKLCMGF-GDBMZVCRSA-N	2	0	308.470	1.739	20	70		DDIDRP
CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)[C@H]3CCOC3)cn2)CC1	ZINC000159476406	162147063	/nfs/dbraw/zinc/14/70/63/162147063.db2.gz	BZFYEKMOKKPCCE-RDJZCZTQSA-N	2	0	318.465	1.738	20	70		DDIDRP
CC[NH+]1CCN(c2ccc(C[NH2+][C@H](COC)C(C)C)cn2)CC1	ZINC000159520582	408414176	/nfs/dbraw/zinc/41/41/76/408414176.db2.gz	PQPDBFXZUXTEJN-QGZVFWFLSA-N	2	0	320.481	1.984	20	70		DDIDRP
C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1	ZINC000160755273	408519709	/nfs/dbraw/zinc/51/97/09/408519709.db2.gz	HOAZGHNUXVLWHB-IRXDYDNUSA-N	2	0	301.434	1.719	20	70		DDIDRP
C[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)[NH+]1CCC(Cc2ccccc2)CC1	ZINC000160254570	197395901	/nfs/dbraw/zinc/39/59/01/197395901.db2.gz	TVPIOTQGFHBKJG-MAUKXSAKSA-N	2	0	315.461	1.889	20	70		DDIDRP
CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(CC[NH+](C)C)C(C)C)C1	ZINC000159602027	408418864	/nfs/dbraw/zinc/41/88/64/408418864.db2.gz	FEEVKIBHIUZKGZ-INIZCTEOSA-N	2	0	312.502	1.946	20	70		DDIDRP
C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1CCOC1	ZINC000161220467	408574457	/nfs/dbraw/zinc/57/44/57/408574457.db2.gz	JYSKHROWCAKPRP-WMLDXEAASA-N	2	0	319.449	1.493	20	70		DDIDRP
CCc1ncnc(N(CCC[NH+](C)C)CCC[NH+](C)C)c1F	ZINC000160310457	197399531	/nfs/dbraw/zinc/39/95/31/197399531.db2.gz	YOZSTLPKNYZHIR-UHFFFAOYSA-N	2	0	311.449	1.888	20	70		DDIDRP
C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1	ZINC000159453409	197354872	/nfs/dbraw/zinc/35/48/72/197354872.db2.gz	FNVJFMLYQJSXCK-YQQAZPJKSA-N	2	0	319.449	1.078	20	70		DDIDRP
O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000160835582	408529386	/nfs/dbraw/zinc/52/93/86/408529386.db2.gz	UMMKGFZVWKMEDH-RDJZCZTQSA-N	2	0	320.481	1.883	20	70		DDIDRP
C[NH+](C)CCCC1CCN(C(=O)NC2CC[NH+](C)CC2)CC1	ZINC000159827969	290763462	/nfs/dbraw/zinc/76/34/62/290763462.db2.gz	LYXVAHHQHSMTQV-UHFFFAOYSA-N	2	0	310.486	1.844	20	70		DDIDRP
CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](COC)C3CC3)cn2)CC1	ZINC000159542161	408416744	/nfs/dbraw/zinc/41/67/44/408416744.db2.gz	ODORNYLIFSOBSC-KRWDZBQOSA-N	2	0	318.465	1.738	20	70		DDIDRP
CCC(CC)[C@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)N1CCOCC1	ZINC000161192607	484072780	/nfs/dbraw/zinc/07/27/80/484072780.db2.gz	WVGQEMCWGMMRDP-ARFHVFGLSA-N	2	0	311.470	1.510	20	70		DDIDRP
CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(CC[NH+](C)C)C(C)C)C1	ZINC000159601921	408419306	/nfs/dbraw/zinc/41/93/06/408419306.db2.gz	FEEVKIBHIUZKGZ-MRXNPFEDSA-N	2	0	312.502	1.946	20	70		DDIDRP
CC[N@@H+]1CCCN(C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC1	ZINC000159925864	408444386	/nfs/dbraw/zinc/44/43/86/408444386.db2.gz	KTQHHVDHEXGWJR-KRWDZBQOSA-N	2	0	322.497	1.988	20	70		DDIDRP
C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1CCNS(C)(=O)=O	ZINC000161431551	408601730	/nfs/dbraw/zinc/60/17/30/408601730.db2.gz	KJPWSKCSPIROOM-HUUCEWRRSA-N	2	0	317.499	1.265	20	70		DDIDRP
CC(=O)NC1CCC([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1	ZINC000161267904	408581371	/nfs/dbraw/zinc/58/13/71/408581371.db2.gz	KWLWSNSYQRWKEB-ABHNRTSZSA-N	2	0	324.513	1.295	20	70		DDIDRP
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[NH+](CC)CC1	ZINC000159884862	408441125	/nfs/dbraw/zinc/44/11/25/408441125.db2.gz	NRRZCAJTNKUPBA-MRXNPFEDSA-N	2	0	310.486	1.988	20	70		DDIDRP
CC(C)(CNC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)N1CCOCC1	ZINC000160547352	408494162	/nfs/dbraw/zinc/49/41/62/408494162.db2.gz	POJSAMCPHMSXJQ-HOTGVXAUSA-N	2	0	323.481	1.478	20	70		DDIDRP
[NH3+]C[C@@H]1CCCN1C(=O)c1ccc(C[NH+]2CCSCC2)cc1	ZINC000160258675	408467610	/nfs/dbraw/zinc/46/76/10/408467610.db2.gz	XPKYTXDMPYCXST-INIZCTEOSA-N	2	0	319.474	1.799	20	70		DDIDRP
C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1CCOC1	ZINC000161220589	408574479	/nfs/dbraw/zinc/57/44/79/408574479.db2.gz	JYSKHROWCAKPRP-RHSMWYFYSA-N	2	0	319.449	1.493	20	70		DDIDRP
Cc1c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cnn1CC(C)C	ZINC000161273316	408582054	/nfs/dbraw/zinc/58/20/54/408582054.db2.gz	ZRDIVLDEZDYWCG-UHFFFAOYSA-N	2	0	323.485	1.413	20	70		DDIDRP
O=C(C[NH+]1CCCC1)N1CCN(CCC[NH+]2CCCCC2)CC1	ZINC000160897829	518198537	/nfs/dbraw/zinc/19/85/37/518198537.db2.gz	VTEFLPXHAAGBDW-UHFFFAOYSA-N	2	0	322.497	1.102	20	70		DDIDRP
CC[N@@H+]1CCCN(C(=O)NCc2cccnc2N(C)C)CC1	ZINC000159622357	408421407	/nfs/dbraw/zinc/42/14/07/408421407.db2.gz	LFWRAMCAEBEROT-UHFFFAOYSA-N	2	0	305.426	1.385	20	70		DDIDRP
CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1	ZINC000160694502	354240153	/nfs/dbraw/zinc/24/01/53/354240153.db2.gz	ANDKZZBTFSUMBY-INIZCTEOSA-N	2	0	310.486	1.700	20	70		DDIDRP
C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(CN2CCOCC2)cc1	ZINC000160599146	408502248	/nfs/dbraw/zinc/50/22/48/408502248.db2.gz	HMVNDJZMFFKULT-LPHOPBHVSA-N	2	0	317.477	1.949	20	70		DDIDRP
C[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1	ZINC000160624729	408505369	/nfs/dbraw/zinc/50/53/69/408505369.db2.gz	LEIPKWRLBFFWKD-INIZCTEOSA-N	2	0	319.474	1.669	20	70		DDIDRP
C[NH+](C)Cc1cccc(C(=O)NCC2CC[NH+](CCO)CC2)c1	ZINC000160579169	408500103	/nfs/dbraw/zinc/50/01/03/408500103.db2.gz	NDRHUSXARWEXPD-UHFFFAOYSA-N	2	0	319.449	1.182	20	70		DDIDRP
CCC(CC)(C[NH3+])C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000161272729	408582113	/nfs/dbraw/zinc/58/21/13/408582113.db2.gz	DWQYEIMCXIDCCZ-HUUCEWRRSA-N	2	0	313.486	1.757	20	70		DDIDRP
C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCN(c2cc[nH+]cc2)CC1	ZINC000161398151	539221735	/nfs/dbraw/zinc/22/17/35/539221735.db2.gz	CHRMLRFNXIQNRP-IYBDPMFKSA-N	2	0	316.449	1.993	20	70		DDIDRP
C[NH+](C)CC1CCC(NC(=O)NCC2CC[NH+](C)CC2)CC1	ZINC000159447128	408408922	/nfs/dbraw/zinc/40/89/22/408408922.db2.gz	TZSHEZLYASMORV-UHFFFAOYSA-N	2	0	310.486	1.748	20	70		DDIDRP
O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000160835728	408529281	/nfs/dbraw/zinc/52/92/81/408529281.db2.gz	UMMKGFZVWKMEDH-WBVHZDCISA-N	2	0	320.481	1.883	20	70		DDIDRP
CC[N@@H+]1CCCN(C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CC1	ZINC000159886028	276162418	/nfs/dbraw/zinc/16/24/18/276162418.db2.gz	BMYXHTVVYJIFJS-HNNXBMFYSA-N	2	0	308.470	1.741	20	70		DDIDRP
CC(C)N(CC[NH+](C)C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C	ZINC000159533142	279430739	/nfs/dbraw/zinc/43/07/39/279430739.db2.gz	JEMIXNLCNAXMQG-CQSZACIVSA-N	2	0	300.491	1.944	20	70		DDIDRP
Cn1ncc2c1CCC[C@H]2[NH2+]CCN1CCC([NH+](C)C)CC1	ZINC000160288677	408468577	/nfs/dbraw/zinc/46/85/77/408468577.db2.gz	MOKWQWPDMFQOKR-MRXNPFEDSA-N	2	0	305.470	1.413	20	70		DDIDRP
CC(=O)NC1CCC([NH2+]C2CCN(CC[NH+](C)C)CC2)CC1	ZINC000161271560	408581066	/nfs/dbraw/zinc/58/10/66/408581066.db2.gz	DDQBHSASFMHGPT-UHFFFAOYSA-N	2	0	310.486	1.049	20	70		DDIDRP
O=C(c1cccn1C1CC[NH2+]CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2	ZINC000159876235	484065018	/nfs/dbraw/zinc/06/50/18/484065018.db2.gz	MPMGBMHBRAAQPX-OKILXGFUSA-N	2	0	302.422	1.379	20	70		DDIDRP
C[C@@H](O)[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1	ZINC000160718533	484068139	/nfs/dbraw/zinc/06/81/39/484068139.db2.gz	PPUDFEQMFZHUQI-OIISXLGYSA-N	2	0	319.449	1.108	20	70		DDIDRP
C[C@@H]1C[NH+](CC2CC[NH+](CCn3ccnc3)CC2)C[C@@H](C)O1	ZINC000159794603	408436300	/nfs/dbraw/zinc/43/63/00/408436300.db2.gz	QWTRYYQPOTUURT-HZPDHXFCSA-N	2	0	306.454	1.704	20	70		DDIDRP
C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCc1nnc2n1CCCCC2	ZINC000161154222	408566039	/nfs/dbraw/zinc/56/60/39/408566039.db2.gz	KALQRXPCAHGOEH-CABCVRRESA-N	2	0	305.470	1.867	20	70		DDIDRP
C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@H](CN2CCOCC2)C1	ZINC000161072267	408556928	/nfs/dbraw/zinc/55/69/28/408556928.db2.gz	QKLSGSRGLDCUQN-SFHVURJKSA-N	2	0	309.498	1.907	20	70		DDIDRP
CC(C)NC(=O)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1	ZINC000160932619	408543154	/nfs/dbraw/zinc/54/31/54/408543154.db2.gz	SFWZFTGIEILIFV-CQSZACIVSA-N	2	0	307.438	1.802	20	70		DDIDRP
C[NH+](C)C1CCN(CC[NH2+]C2CCN(CC(F)F)CC2)CC1	ZINC000160213557	354238454	/nfs/dbraw/zinc/23/84/54/354238454.db2.gz	PUEDBZJCPZLDHZ-UHFFFAOYSA-N	2	0	318.456	1.332	20	70		DDIDRP
CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1	ZINC000160775474	354240788	/nfs/dbraw/zinc/24/07/88/354240788.db2.gz	CBXUKBWKTACCTD-MRXNPFEDSA-N	2	0	322.497	1.987	20	70		DDIDRP
COC[C@H](Cc1ccccc1)[NH2+]CCN1CCC([NH+](C)C)CC1	ZINC000160220947	197393961	/nfs/dbraw/zinc/39/39/61/197393961.db2.gz	QJUNJYYLNOKRMS-SFHVURJKSA-N	2	0	319.493	1.860	20	70		DDIDRP
CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)[C@@H]3CCOC3)cn2)CC1	ZINC000159476268	162147078	/nfs/dbraw/zinc/14/70/78/162147078.db2.gz	BZFYEKMOKKPCCE-NVXWUHKLSA-N	2	0	318.465	1.738	20	70		DDIDRP
CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1	ZINC000160854751	408532611	/nfs/dbraw/zinc/53/26/11/408532611.db2.gz	AKZGVRXVNSCCTB-HZPDHXFCSA-N	2	0	322.497	1.987	20	70		DDIDRP
O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000160676123	354240385	/nfs/dbraw/zinc/24/03/85/354240385.db2.gz	AXKCJJONYQSBOB-CVEARBPZSA-N	2	0	306.454	1.350	20	70		DDIDRP
C[N@@H+]1CCCC[C@H]1CN1CCN(CCC[NH+]2CCCCC2)CC1	ZINC000161012954	408549234	/nfs/dbraw/zinc/54/92/34/408549234.db2.gz	GAIRLALPSQLJLN-IBGZPJMESA-N	2	0	322.541	1.964	20	70		DDIDRP
COc1ccc(CNC(=O)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1	ZINC000161015238	539220761	/nfs/dbraw/zinc/22/07/61/539220761.db2.gz	HYCMUMLQLQWCJP-AWEZNQCLSA-N	2	0	319.449	1.631	20	70		DDIDRP
CC[NH+]1CCN(CCC(=O)N2CCC([NH2+]CC3CC3)CC2)CC1	ZINC000159819652	408436075	/nfs/dbraw/zinc/43/60/75/408436075.db2.gz	MRHQAGGWIURSGC-UHFFFAOYSA-N	2	0	322.497	1.005	20	70		DDIDRP
C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1	ZINC000160755135	408519988	/nfs/dbraw/zinc/51/99/88/408519988.db2.gz	HOAZGHNUXVLWHB-DLBZAZTESA-N	2	0	301.434	1.719	20	70		DDIDRP
CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)COC)cc2)CC1	ZINC000160331207	408470976	/nfs/dbraw/zinc/47/09/76/408470976.db2.gz	DDAROTFSUOCXIR-MRXNPFEDSA-N	2	0	305.466	1.949	20	70		DDIDRP
O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@H]([NH+]2CCCC2)C1	ZINC000160656149	354240079	/nfs/dbraw/zinc/24/00/79/354240079.db2.gz	LUOUGUVGNWXRGD-SJORKVTESA-N	2	0	320.481	1.741	20	70		DDIDRP
CCC[NH+]1CCC(CNC(=O)N2CCC[N@H+](CC)CC2)CC1	ZINC000159788392	408433668	/nfs/dbraw/zinc/43/36/68/408433668.db2.gz	SZTZOWZMKPMKBZ-UHFFFAOYSA-N	2	0	310.486	1.846	20	70		DDIDRP
CC[NH+]1CCN([C@H](C)C[NH2+]C2CCC(NC(C)=O)CC2)CC1	ZINC000161288445	408584441	/nfs/dbraw/zinc/58/44/41/408584441.db2.gz	KROKCXDTQGRFCA-ODIFPOPNSA-N	2	0	310.486	1.049	20	70		DDIDRP
CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000160353275	408476093	/nfs/dbraw/zinc/47/60/93/408476093.db2.gz	MIDAOXGHWQYGCL-QGZVFWFLSA-N	2	0	316.449	1.278	20	70		DDIDRP
CC(C)[N@H+]1C[C@H](NC(=O)CN(C)Cc2ccccc2)[C@@H](C)C1	ZINC000161099660	408559762	/nfs/dbraw/zinc/55/97/62/408559762.db2.gz	VFYIJXGCLMXKKZ-RDJZCZTQSA-N	2	0	303.450	1.963	20	70		DDIDRP
C[NH+](C)CCC1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1	ZINC000160635867	354239934	/nfs/dbraw/zinc/23/99/34/354239934.db2.gz	FUCGCOCBMCVQLM-KRWDZBQOSA-N	2	0	322.497	1.844	20	70		DDIDRP
CCCC[NH+]1CCC(NC(=O)N2CCC[N@H+](CC)CC2)CC1	ZINC000159789316	408432707	/nfs/dbraw/zinc/43/27/07/408432707.db2.gz	WITSZNGYLNOIDM-UHFFFAOYSA-N	2	0	310.486	1.988	20	70		DDIDRP
COCCC[NH+]1CCC([NH2+]C2CCC(NC(C)=O)CC2)CC1	ZINC000161401800	523298137	/nfs/dbraw/zinc/29/81/37/523298137.db2.gz	UMAZZBLZTHTYFW-UHFFFAOYSA-N	2	0	311.470	1.524	20	70		DDIDRP
C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1CN1CCOCC1	ZINC000160462426	524896532	/nfs/dbraw/zinc/89/65/32/524896532.db2.gz	DNBFCPWHVGJODY-APWZRJJASA-N	2	0	317.477	1.949	20	70		DDIDRP
C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1	ZINC000160721815	408516583	/nfs/dbraw/zinc/51/65/83/408516583.db2.gz	QUDVHTDCMHFPPA-IRXDYDNUSA-N	2	0	301.434	1.861	20	70		DDIDRP
Cn1ncc2c1CCC[C@@H]2[NH2+]CCN1CCC([NH+](C)C)CC1	ZINC000160288824	408468655	/nfs/dbraw/zinc/46/86/55/408468655.db2.gz	MOKWQWPDMFQOKR-INIZCTEOSA-N	2	0	305.470	1.413	20	70		DDIDRP
OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C1CCN(CC(F)F)CC1	ZINC000160705481	408515215	/nfs/dbraw/zinc/51/52/15/408515215.db2.gz	GKHQTEUNWYLJAY-OAHLLOKOSA-N	2	0	319.440	1.542	20	70		DDIDRP
CC[N@@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CC1	ZINC000159885907	279286234	/nfs/dbraw/zinc/28/62/34/279286234.db2.gz	BMYXHTVVYJIFJS-OAHLLOKOSA-N	2	0	308.470	1.741	20	70		DDIDRP
C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCN(c2cc[nH+]cc2)CC1	ZINC000161398399	539221712	/nfs/dbraw/zinc/22/17/12/539221712.db2.gz	CHRMLRFNXIQNRP-HZPDHXFCSA-N	2	0	316.449	1.993	20	70		DDIDRP
O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@H]([NH+]2CCCC2)C1	ZINC000160656416	354240396	/nfs/dbraw/zinc/24/03/96/354240396.db2.gz	LUOUGUVGNWXRGD-IRXDYDNUSA-N	2	0	320.481	1.741	20	70		DDIDRP
O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000160676377	354240118	/nfs/dbraw/zinc/24/01/18/354240118.db2.gz	AXKCJJONYQSBOB-HOTGVXAUSA-N	2	0	306.454	1.350	20	70		DDIDRP
CC[N@@H+]1CCCN(C(=O)NC[C@H](C)[NH+]2CCC[C@H](C)C2)CC1	ZINC000159624227	408422501	/nfs/dbraw/zinc/42/25/01/408422501.db2.gz	MGUAIBWNZCRRIA-HOTGVXAUSA-N	2	0	310.486	1.844	20	70		DDIDRP
COC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CC1	ZINC000160626853	408504479	/nfs/dbraw/zinc/50/44/79/408504479.db2.gz	SWZYRMNUMIYVMR-DLBZAZTESA-N	2	0	319.449	1.420	20	70		DDIDRP
C[C@H](C(=O)N1CC[C@@H]([NH3+])C1)[NH+]1CCC(Cc2ccccc2)CC1	ZINC000160254688	197395733	/nfs/dbraw/zinc/39/57/33/197395733.db2.gz	TVPIOTQGFHBKJG-CRAIPNDOSA-N	2	0	315.461	1.889	20	70		DDIDRP
c1nc2ccccn2c1C[N@H+]1CC[C@@H](CN2CCOCC2)C1	ZINC000160625483	408505710	/nfs/dbraw/zinc/50/57/10/408505710.db2.gz	GDLAOQMOLOPUEV-HNNXBMFYSA-N	2	0	300.406	1.488	20	70		DDIDRP
C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1	ZINC000160754360	408520708	/nfs/dbraw/zinc/52/07/08/408520708.db2.gz	MBKWMZICIBMEHF-MRXNPFEDSA-N	2	0	316.449	1.019	20	70		DDIDRP
Cc1ncc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c(C)n1	ZINC000160200488	408463562	/nfs/dbraw/zinc/46/35/62/408463562.db2.gz	LYUYIBGJYQTRJZ-ZDUSSCGKSA-N	2	0	305.470	1.770	20	70		DDIDRP
C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1	ZINC000161072397	408556690	/nfs/dbraw/zinc/55/66/90/408556690.db2.gz	QKLSGSRGLDCUQN-GOSISDBHSA-N	2	0	309.498	1.907	20	70		DDIDRP
CC[N@@H+]1CCCN(C(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)CC1	ZINC000159823808	408436449	/nfs/dbraw/zinc/43/64/49/408436449.db2.gz	UKZSDUXECUDWTF-INIZCTEOSA-N	2	0	310.486	1.844	20	70		DDIDRP
C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1	ZINC000160754888	408519071	/nfs/dbraw/zinc/51/90/71/408519071.db2.gz	HOAZGHNUXVLWHB-IAGOWNOFSA-N	2	0	301.434	1.719	20	70		DDIDRP
CCC(CC)(C[NH3+])C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000161272592	408582158	/nfs/dbraw/zinc/58/21/58/408582158.db2.gz	DWQYEIMCXIDCCZ-GASCZTMLSA-N	2	0	313.486	1.757	20	70		DDIDRP
CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1	ZINC000159774307	279285054	/nfs/dbraw/zinc/28/50/54/279285054.db2.gz	FZOZDSJWAHFXPU-MRXNPFEDSA-N	2	0	310.486	1.844	20	70		DDIDRP
Cc1ccc(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)nc1	ZINC000160079956	408454128	/nfs/dbraw/zinc/45/41/28/408454128.db2.gz	VPZNCBHFZSCZIT-SFHVURJKSA-N	2	0	302.466	1.992	20	70		DDIDRP
CC[N@@H+]1CCCN(C(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1	ZINC000159714043	408427705	/nfs/dbraw/zinc/42/77/05/408427705.db2.gz	GOKXAQVLALPPCE-INIZCTEOSA-N	2	0	310.486	1.846	20	70		DDIDRP
COCC[N@H+](C)CCCNC(=O)c1ccc(C[NH+](C)C)cc1	ZINC000160148705	408459631	/nfs/dbraw/zinc/45/96/31/408459631.db2.gz	HCOKVWTVHUUQGX-UHFFFAOYSA-N	2	0	307.438	1.446	20	70		DDIDRP
CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](CC2CC2)C1	ZINC000160722308	408518250	/nfs/dbraw/zinc/51/82/50/408518250.db2.gz	UEPKPDHKZXSZSY-CVEARBPZSA-N	2	0	308.470	1.452	20	70		DDIDRP
CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)COC)cc2)CC1	ZINC000160331071	408469625	/nfs/dbraw/zinc/46/96/25/408469625.db2.gz	DDAROTFSUOCXIR-INIZCTEOSA-N	2	0	305.466	1.949	20	70		DDIDRP
CCN(CC)C(=O)C[C@@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1	ZINC000160260565	290769082	/nfs/dbraw/zinc/76/90/82/290769082.db2.gz	PFJHARNVBANUOP-OAHLLOKOSA-N	2	0	312.502	1.249	20	70		DDIDRP
CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1	ZINC000159713901	408426884	/nfs/dbraw/zinc/42/68/84/408426884.db2.gz	GOKXAQVLALPPCE-MRXNPFEDSA-N	2	0	310.486	1.846	20	70		DDIDRP
CC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1	ZINC000160327994	408470294	/nfs/dbraw/zinc/47/02/94/408470294.db2.gz	JKXXTWMSDUVYHE-GPANFISMSA-N	2	0	310.486	1.890	20	70		DDIDRP
C[C@H]1CCC[C@H](C)N1C(=O)CN1CCN(c2cc[nH+]cc2)CC1	ZINC000161398273	539221572	/nfs/dbraw/zinc/22/15/72/539221572.db2.gz	CHRMLRFNXIQNRP-HOTGVXAUSA-N	2	0	316.449	1.993	20	70		DDIDRP
CC[C@H](COC)[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000159535123	408417240	/nfs/dbraw/zinc/41/72/40/408417240.db2.gz	NBOKALWLGYJRLD-MRXNPFEDSA-N	2	0	306.454	1.738	20	70		DDIDRP
[NH3+][C@H]1CCC[C@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)C1	ZINC000160981061	484071129	/nfs/dbraw/zinc/07/11/29/484071129.db2.gz	YWOUIECXCCWJOW-GJZGRUSLSA-N	2	0	309.454	1.408	20	70		DDIDRP
CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1	ZINC000216917336	484141585	/nfs/dbraw/zinc/14/15/85/484141585.db2.gz	JHVOWJRKJQMQMK-IAGOWNOFSA-N	2	0	322.497	1.987	20	70		DDIDRP
CC[NH+](CC)CC(=O)N1CCN(CCC[NH+]2CCCCC2)CC1	ZINC000161336369	408589411	/nfs/dbraw/zinc/58/94/11/408589411.db2.gz	KFKDDKZUCBNREB-UHFFFAOYSA-N	2	0	324.513	1.348	20	70		DDIDRP
C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1	ZINC000160844327	282253417	/nfs/dbraw/zinc/25/34/17/282253417.db2.gz	BEXYHVIWKLCMGF-ZBFHGGJFSA-N	2	0	308.470	1.739	20	70		DDIDRP
CC[N@@H+]1CCCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1	ZINC000159712448	285209895	/nfs/dbraw/zinc/20/98/95/285209895.db2.gz	HGMYCAJTTRXVNY-UHFFFAOYSA-N	2	0	310.486	1.987	20	70		DDIDRP
CC[NH+]1CCN(CCC(=O)NCC[NH2+]C2CCCCCC2)CC1	ZINC000159679175	521677700	/nfs/dbraw/zinc/67/77/00/521677700.db2.gz	ITEMUPROVWHUKC-UHFFFAOYSA-N	2	0	324.513	1.443	20	70		DDIDRP
CC[N@@H+]1CCCN(C(=O)NCC[NH+](C)Cc2ccccc2)CC1	ZINC000159736872	186138610	/nfs/dbraw/zinc/13/86/10/186138610.db2.gz	SMXFREOABDFRNP-UHFFFAOYSA-N	2	0	318.465	1.856	20	70		DDIDRP
C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1	ZINC000160755017	197436432	/nfs/dbraw/zinc/43/64/32/197436432.db2.gz	HOAZGHNUXVLWHB-SJORKVTESA-N	2	0	301.434	1.719	20	70		DDIDRP
CC[N@@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC1	ZINC000159925708	408443965	/nfs/dbraw/zinc/44/39/65/408443965.db2.gz	KTQHHVDHEXGWJR-QGZVFWFLSA-N	2	0	322.497	1.988	20	70		DDIDRP
Cc1ncc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c(C)n1	ZINC000160200369	282163738	/nfs/dbraw/zinc/16/37/38/282163738.db2.gz	LYUYIBGJYQTRJZ-CYBMUJFWSA-N	2	0	305.470	1.770	20	70		DDIDRP
CC[NH+](CC)CCOc1ccc(C(=O)NCC(C)(C)[NH3+])cc1	ZINC000160091925	197385112	/nfs/dbraw/zinc/38/51/12/197385112.db2.gz	VMDVCJUJENDSRI-UHFFFAOYSA-N	2	0	307.438	1.874	20	70		DDIDRP
C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCc1nnc2n1CCCCC2	ZINC000161154354	408566142	/nfs/dbraw/zinc/56/61/42/408566142.db2.gz	KALQRXPCAHGOEH-GJZGRUSLSA-N	2	0	305.470	1.867	20	70		DDIDRP
CC(C)N(CC[NH+](C)C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C	ZINC000159532985	279429950	/nfs/dbraw/zinc/42/99/50/279429950.db2.gz	JEMIXNLCNAXMQG-AWEZNQCLSA-N	2	0	300.491	1.944	20	70		DDIDRP
CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1	ZINC000160773058	354240731	/nfs/dbraw/zinc/24/07/31/354240731.db2.gz	PHEVTVFWTVSQQF-INIZCTEOSA-N	2	0	308.470	1.643	20	70		DDIDRP
CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[NH+](CC)CC1	ZINC000159884997	408441585	/nfs/dbraw/zinc/44/15/85/408441585.db2.gz	NRRZCAJTNKUPBA-INIZCTEOSA-N	2	0	310.486	1.988	20	70		DDIDRP
C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1	ZINC000160844583	282253513	/nfs/dbraw/zinc/25/35/13/282253513.db2.gz	BEXYHVIWKLCMGF-HOCLYGCPSA-N	2	0	308.470	1.739	20	70		DDIDRP
C[NH+](C)CCCC1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1	ZINC000160977874	408546805	/nfs/dbraw/zinc/54/68/05/408546805.db2.gz	IEBMZHCZAVIWJF-MRXNPFEDSA-N	2	0	310.486	1.844	20	70		DDIDRP
CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1	ZINC000160871880	408535127	/nfs/dbraw/zinc/53/51/27/408535127.db2.gz	KHDJBYQCLZXIQF-WBVHZDCISA-N	2	0	322.497	1.985	20	70		DDIDRP
C[NH+](C)CCOc1ccccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2	ZINC000160401442	521802507	/nfs/dbraw/zinc/80/25/07/521802507.db2.gz	SFXOTYORPKPKPC-GASCZTMLSA-N	2	0	317.433	1.594	20	70		DDIDRP
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC[NH+](C)C	ZINC000159947646	274355559	/nfs/dbraw/zinc/35/55/59/274355559.db2.gz	MSSIIGRONBMSMQ-ZBFHGGJFSA-N	2	0	304.438	1.368	20	70		DDIDRP
CC(C)NC(=O)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1	ZINC000160932496	408542963	/nfs/dbraw/zinc/54/29/63/408542963.db2.gz	SFWZFTGIEILIFV-AWEZNQCLSA-N	2	0	307.438	1.802	20	70		DDIDRP
C[NH+](C)C1(CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CCCC1	ZINC000160831401	484070085	/nfs/dbraw/zinc/07/00/85/484070085.db2.gz	PIDPKZZAZFYTBF-ZDUSSCGKSA-N	2	0	307.360	1.519	20	70		DDIDRP
[NH3+][C@@H]1CCC[C@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)C1	ZINC000160981306	484071267	/nfs/dbraw/zinc/07/12/67/484071267.db2.gz	YWOUIECXCCWJOW-CABCVRRESA-N	2	0	309.454	1.408	20	70		DDIDRP
CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](COC)C(C)C)cn2)CC1	ZINC000159520443	521698091	/nfs/dbraw/zinc/69/80/91/521698091.db2.gz	PQPDBFXZUXTEJN-KRWDZBQOSA-N	2	0	320.481	1.984	20	70		DDIDRP
CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@@H]1C(C)C	ZINC000159625074	408422812	/nfs/dbraw/zinc/42/28/12/408422812.db2.gz	LZBRGWKGXZAOPG-HZPDHXFCSA-N	2	0	310.486	1.842	20	70		DDIDRP
O=C([C@H]1CCCCN1CCC[NH+]1CCCCC1)N1CCOCC1	ZINC000161322500	408587351	/nfs/dbraw/zinc/58/73/51/408587351.db2.gz	DRTPPBOKBIBHAD-QGZVFWFLSA-N	2	0	323.481	1.576	20	70		DDIDRP
O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)NC1CC[NH+](C2CC2)CC1	ZINC000160556162	354239061	/nfs/dbraw/zinc/23/90/61/354239061.db2.gz	DFCRXJXLTZCHSM-YOEHRIQHSA-N	2	0	305.466	1.994	20	70		DDIDRP
CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1	ZINC000160872014	408534886	/nfs/dbraw/zinc/53/48/86/408534886.db2.gz	KHDJBYQCLZXIQF-NVXWUHKLSA-N	2	0	322.497	1.985	20	70		DDIDRP
CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1	ZINC000160694422	354240274	/nfs/dbraw/zinc/24/02/74/354240274.db2.gz	ANDKZZBTFSUMBY-MRXNPFEDSA-N	2	0	310.486	1.700	20	70		DDIDRP
[NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2)C1	ZINC000161137225	408562971	/nfs/dbraw/zinc/56/29/71/408562971.db2.gz	KQIOEFYSTYIWTE-LBPRGKRZSA-N	2	0	313.804	1.766	20	70		DDIDRP
O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CC[NH+](CC2CC2)CC1	ZINC000160714437	484068267	/nfs/dbraw/zinc/06/82/67/484068267.db2.gz	SODTWNMHMXYDQN-INIZCTEOSA-N	2	0	306.454	1.208	20	70		DDIDRP
CC[N@@H+]1CCCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1	ZINC000159553827	408417577	/nfs/dbraw/zinc/41/75/77/408417577.db2.gz	QJIXOZWWZVFMDJ-UHFFFAOYSA-N	2	0	318.465	1.985	20	70		DDIDRP
[NH3+]C1(C(=O)NCC[NH2+]C2CCCCCC2)Cc2ccccc2C1	ZINC000159642801	408421889	/nfs/dbraw/zinc/42/18/89/408421889.db2.gz	HYSGTAXDKHMSSM-UHFFFAOYSA-N	2	0	315.461	1.911	20	70		DDIDRP
CC(C)[NH+]1CCN(c2ccc(C(=O)NCCC[NH3+])cc2)CC1	ZINC000160172343	197390734	/nfs/dbraw/zinc/39/07/34/197390734.db2.gz	QHRUTOWHXCTPEN-UHFFFAOYSA-N	2	0	304.438	1.296	20	70		DDIDRP
C[N@H+](CCNC(=O)C1CC[NH+](C)CC1)Cc1ccc(F)cc1	ZINC000161061535	408553510	/nfs/dbraw/zinc/55/35/10/408553510.db2.gz	UMLFJOZJJHQMJM-UHFFFAOYSA-N	2	0	307.413	1.716	20	70		DDIDRP
CC(C)NC(=O)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1	ZINC000160908405	408536739	/nfs/dbraw/zinc/53/67/39/408536739.db2.gz	KBODZBFBALIPGJ-AWEZNQCLSA-N	2	0	307.438	1.802	20	70		DDIDRP
CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1	ZINC000160775597	354240931	/nfs/dbraw/zinc/24/09/31/354240931.db2.gz	CBXUKBWKTACCTD-INIZCTEOSA-N	2	0	322.497	1.987	20	70		DDIDRP
C[N@@H+]1CCCC[C@@H]1CN1CCN(CCC[NH+]2CCCCC2)CC1	ZINC000161012841	408550629	/nfs/dbraw/zinc/55/06/29/408550629.db2.gz	GAIRLALPSQLJLN-LJQANCHMSA-N	2	0	322.541	1.964	20	70		DDIDRP
OCCn1nccc1C1CCN(CCC[NH+]2CCCCC2)CC1	ZINC000161312689	408586884	/nfs/dbraw/zinc/58/68/84/408586884.db2.gz	BFLJIHIIJOXGRL-UHFFFAOYSA-N	2	0	320.481	1.931	20	70		DDIDRP
CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)[C@@H]3CCOC3)cn2)CC1	ZINC000159476121	162147269	/nfs/dbraw/zinc/14/72/69/162147269.db2.gz	BZFYEKMOKKPCCE-DOTOQJQBSA-N	2	0	318.465	1.738	20	70		DDIDRP
C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1CCOC1	ZINC000161220696	408574895	/nfs/dbraw/zinc/57/48/95/408574895.db2.gz	JYSKHROWCAKPRP-YOEHRIQHSA-N	2	0	319.449	1.493	20	70		DDIDRP
CC[N@H+](C)CCNC(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1C	ZINC000159589445	284336218	/nfs/dbraw/zinc/33/62/18/284336218.db2.gz	FQTPCNZSQOPMSR-RDJZCZTQSA-N	2	0	318.465	1.758	20	70		DDIDRP
CCN(CC)C(=O)C[C@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1	ZINC000160260705	290769100	/nfs/dbraw/zinc/76/91/00/290769100.db2.gz	PFJHARNVBANUOP-HNNXBMFYSA-N	2	0	312.502	1.249	20	70		DDIDRP
C[C@@H](O)[C@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1	ZINC000160718798	484068417	/nfs/dbraw/zinc/06/84/17/484068417.db2.gz	PPUDFEQMFZHUQI-PVAVHDDUSA-N	2	0	319.449	1.108	20	70		DDIDRP
O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000160675981	354240136	/nfs/dbraw/zinc/24/01/36/354240136.db2.gz	AXKCJJONYQSBOB-HZPDHXFCSA-N	2	0	306.454	1.350	20	70		DDIDRP
COC[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CC1	ZINC000160627095	408506077	/nfs/dbraw/zinc/50/60/77/408506077.db2.gz	SWZYRMNUMIYVMR-IAGOWNOFSA-N	2	0	319.449	1.420	20	70		DDIDRP
C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1CCOC1	ZINC000161220816	408575025	/nfs/dbraw/zinc/57/50/25/408575025.db2.gz	JYSKHROWCAKPRP-PBHICJAKSA-N	2	0	319.449	1.493	20	70		DDIDRP
O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000160676251	354240009	/nfs/dbraw/zinc/24/00/09/354240009.db2.gz	AXKCJJONYQSBOB-JKSUJKDBSA-N	2	0	306.454	1.350	20	70		DDIDRP
CC(C)NC(=O)CNC1CC[NH+](CCc2ccc(F)cc2)CC1	ZINC000160943798	408541253	/nfs/dbraw/zinc/54/12/53/408541253.db2.gz	GDTAIEMNFDEMSJ-UHFFFAOYSA-N	2	0	321.440	1.947	20	70		DDIDRP
CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1	ZINC000160854610	408531017	/nfs/dbraw/zinc/53/10/17/408531017.db2.gz	AKZGVRXVNSCCTB-JKSUJKDBSA-N	2	0	322.497	1.987	20	70		DDIDRP
CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000160827087	408527881	/nfs/dbraw/zinc/52/78/81/408527881.db2.gz	HOWMVHWBORJIEO-OAHLLOKOSA-N	2	0	308.470	1.741	20	70		DDIDRP
COC(=O)C[C@@H]1CSCCN1CCC[NH+]1CCCCC1	ZINC000161414593	408600027	/nfs/dbraw/zinc/60/00/27/408600027.db2.gz	QSHUFJPOTUXQFF-CQSZACIVSA-N	2	0	300.468	1.843	20	70		DDIDRP
C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCCC[C@@H]1CO)c1ccccc1	ZINC000159460064	197355112	/nfs/dbraw/zinc/35/51/12/197355112.db2.gz	SUUCLCRMLJGEQJ-SJORKVTESA-N	2	0	319.449	1.252	20	70		DDIDRP
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CN(C)Cc2ccccc2)C1	ZINC000161099530	408559812	/nfs/dbraw/zinc/55/98/12/408559812.db2.gz	VFYIJXGCLMXKKZ-WBVHZDCISA-N	2	0	303.450	1.963	20	70		DDIDRP
CC(C)NC(=O)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1	ZINC000160908543	408536219	/nfs/dbraw/zinc/53/62/19/408536219.db2.gz	KBODZBFBALIPGJ-CQSZACIVSA-N	2	0	307.438	1.802	20	70		DDIDRP
O=C(NC[C@@H]1CCC[N@H+](Cc2ccsc2)C1)[C@@H]1CCC[NH2+]1	ZINC000217031805	163330752	/nfs/dbraw/zinc/33/07/52/163330752.db2.gz	KIRMKRLLZWGKHR-ZFWWWQNUSA-N	2	0	307.463	1.828	20	70		DDIDRP
CCC(CC)(C[NH3+])C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000161272856	290782764	/nfs/dbraw/zinc/78/27/64/290782764.db2.gz	DWQYEIMCXIDCCZ-GJZGRUSLSA-N	2	0	313.486	1.757	20	70		DDIDRP
C[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1	ZINC000160624593	408505087	/nfs/dbraw/zinc/50/50/87/408505087.db2.gz	LEIPKWRLBFFWKD-MRXNPFEDSA-N	2	0	319.474	1.669	20	70		DDIDRP
C[NH+](C)Cc1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1	ZINC000160636662	408505285	/nfs/dbraw/zinc/50/52/85/408505285.db2.gz	ZBEPCSDDVXBVMT-UHFFFAOYSA-N	2	0	301.434	1.916	20	70		DDIDRP
C[C@H]1C[NH+](CC2CC[NH+](CCn3ccnc3)CC2)C[C@H](C)O1	ZINC000159794481	408436515	/nfs/dbraw/zinc/43/65/15/408436515.db2.gz	QWTRYYQPOTUURT-HOTGVXAUSA-N	2	0	306.454	1.704	20	70		DDIDRP
C[NH+](C)Cc1cccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1	ZINC000160388380	408478565	/nfs/dbraw/zinc/47/85/65/408478565.db2.gz	YJQYPDWNRNGKOS-KRWDZBQOSA-N	2	0	319.449	1.325	20	70		DDIDRP
CC[N@H+](C)CCNC(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C	ZINC000159589287	186129144	/nfs/dbraw/zinc/12/91/44/186129144.db2.gz	FQTPCNZSQOPMSR-DOTOQJQBSA-N	2	0	318.465	1.758	20	70		DDIDRP
c1nc2ccccn2c1C[N@H+]1CC[C@H](CN2CCOCC2)C1	ZINC000160625328	408505528	/nfs/dbraw/zinc/50/55/28/408505528.db2.gz	GDLAOQMOLOPUEV-OAHLLOKOSA-N	2	0	300.406	1.488	20	70		DDIDRP
C[C@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)N1CCc2ccccc2C1	ZINC000160978721	484070704	/nfs/dbraw/zinc/07/07/04/484070704.db2.gz	UXOSUNGFYWSPDZ-COXVUDFISA-N	2	0	301.434	1.819	20	70		DDIDRP
CCC(CC)[C@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)N1CCOCC1	ZINC000161192824	484073252	/nfs/dbraw/zinc/07/32/52/484073252.db2.gz	WVGQEMCWGMMRDP-HRCADAONSA-N	2	0	311.470	1.510	20	70		DDIDRP
COC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CC1	ZINC000160626716	408504551	/nfs/dbraw/zinc/50/45/51/408504551.db2.gz	SWZYRMNUMIYVMR-IRXDYDNUSA-N	2	0	319.449	1.420	20	70		DDIDRP
C[NH+](C)CCN(C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C1CCCC1	ZINC000160705367	408515268	/nfs/dbraw/zinc/51/52/68/408515268.db2.gz	ADQZIVKOPGKBBT-HNNXBMFYSA-N	2	0	322.497	1.987	20	70		DDIDRP
C[NH+](C)C1(CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CCCC1	ZINC000160831524	484069291	/nfs/dbraw/zinc/06/92/91/484069291.db2.gz	PIDPKZZAZFYTBF-CYBMUJFWSA-N	2	0	307.360	1.519	20	70		DDIDRP
CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)[NH+]2CCC[C@H](C)C2)CC1	ZINC000159624085	408421588	/nfs/dbraw/zinc/42/15/88/408421588.db2.gz	MGUAIBWNZCRRIA-JKSUJKDBSA-N	2	0	310.486	1.844	20	70		DDIDRP
CC[NH+]1CCN([C@@H](C)C[NH2+]C2CCC(NC(C)=O)CC2)CC1	ZINC000161288311	408583139	/nfs/dbraw/zinc/58/31/39/408583139.db2.gz	KROKCXDTQGRFCA-OOHWJJMZSA-N	2	0	310.486	1.049	20	70		DDIDRP
COC(=O)C[C@H]1CSCCN1CCC[NH+]1CCCCC1	ZINC000161414724	408599729	/nfs/dbraw/zinc/59/97/29/408599729.db2.gz	QSHUFJPOTUXQFF-AWEZNQCLSA-N	2	0	300.468	1.843	20	70		DDIDRP