smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)N[C@H]1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)C1	ZINC000159397554	291234954	/nfs/dbraw/zinc/23/49/54/291234954.db2.gz	WLSHGOZWBAERJD-JSGCOSHPSA-N	1	0	323.418	0.024	10	70		DCIERO
CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1	ZINC000218022662	395841302	/nfs/dbraw/zinc/84/13/02/395841302.db2.gz	QJENFFCGZOMFJX-CABCVRRESA-N	1	0	314.426	0.343	10	70		DCIERO
CC1CC[NH+](CC(=O)NC2CCC(C(=O)NC(N)=O)CC2)CC1	ZINC000160737533	278538944	/nfs/dbraw/zinc/53/89/44/278538944.db2.gz	FELGGBUYWJQWKR-UHFFFAOYSA-N	1	0	324.425	0.588	10	70		DCIERO
[NH3+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)C1	ZINC000160182095	396073252	/nfs/dbraw/zinc/07/32/52/396073252.db2.gz	ZBCMZFFFQRCWRC-HUUCEWRRSA-N	1	0	301.390	0.637	10	70		DCIERO
CC(C)CC(=O)NCCC(=O)NCCCC[NH+]1CCOCC1	ZINC000160680404	416008803	/nfs/dbraw/zinc/00/88/03/416008803.db2.gz	HBKAZCVSHCVOCO-UHFFFAOYSA-N	1	0	313.442	0.767	10	70		DCIERO
CC(C)CCC(=O)NCC(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160018424	527697661	/nfs/dbraw/zinc/69/76/61/527697661.db2.gz	UCCJWZVNNQEFBS-AWEZNQCLSA-N	1	0	313.442	0.502	10	70		DCIERO
C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cccc2ncccc21	ZINC000161411782	237094613	/nfs/dbraw/zinc/09/46/13/237094613.db2.gz	SXFMTPRWRKSTEX-OAHLLOKOSA-N	1	0	323.418	0.826	10	70		DCIERO
Cc1nc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(=O)[nH]c1C	ZINC000159538485	396069497	/nfs/dbraw/zinc/06/94/97/396069497.db2.gz	WTTXIFKADDXFIH-QWRGUYRKSA-N	1	0	322.409	0.616	10	70		DCIERO
[NH3+]CCCNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1	ZINC000160138627	158352928	/nfs/dbraw/zinc/35/29/28/158352928.db2.gz	CWCVQOXYIPUCER-UHFFFAOYSA-N	1	0	311.407	0.454	10	70		DCIERO
COCCN(C)S(=O)(=O)NC[C@H]1CCC[N@@H+]1CC(C)C	ZINC000160309812	416007025	/nfs/dbraw/zinc/00/70/25/416007025.db2.gz	VSXDNWAMPORYKP-CYBMUJFWSA-N	1	0	307.460	0.519	10	70		DCIERO
COCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)CC2	ZINC000160800450	416008720	/nfs/dbraw/zinc/00/87/20/416008720.db2.gz	FEUFUFUBDSMOLT-NEPJUHHUSA-N	1	0	322.413	0.085	10	70		DCIERO
NC(=O)Nc1cccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1	ZINC000160278664	526950377	/nfs/dbraw/zinc/95/03/77/526950377.db2.gz	GBFSQSQXWDDZJH-AWEZNQCLSA-N	1	0	320.393	0.754	10	70		DCIERO
CCc1nnc(CN2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)[nH]1	ZINC000159378053	396067644	/nfs/dbraw/zinc/06/76/44/396067644.db2.gz	KETAESUOTKKIJO-CQSZACIVSA-N	1	0	306.458	0.969	10	70		DCIERO
COC(=O)[C@@H](C)CS(=O)(=O)NC[C@H]1CCC[N@@H+]1CC(C)C	ZINC000160291190	416007095	/nfs/dbraw/zinc/00/70/95/416007095.db2.gz	OYKBZKORZDIRPJ-QWHCGFSZSA-N	1	0	320.455	0.835	10	70		DCIERO
COCc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)CC2	ZINC000160800594	416009607	/nfs/dbraw/zinc/00/96/07/416009607.db2.gz	FEUFUFUBDSMOLT-NWDGAFQWSA-N	1	0	322.413	0.085	10	70		DCIERO
C[C@@H](NC(=O)c1ccoc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160662577	525367251	/nfs/dbraw/zinc/36/72/51/525367251.db2.gz	IQASJHMGYIFALS-OCCSQVGLSA-N	1	0	323.393	0.361	10	70		DCIERO
O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC1(CO)CC1	ZINC000160370687	291238371	/nfs/dbraw/zinc/23/83/71/291238371.db2.gz	NXVGQECLAPXGSU-UHFFFAOYSA-N	1	0	304.394	0.235	10	70		DCIERO
CC(C)[N@H+]1C[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H](C)C1	ZINC000161406142	291241439	/nfs/dbraw/zinc/24/14/39/291241439.db2.gz	HNHCMJQKGSBZFF-QWRGUYRKSA-N	1	0	310.398	0.162	10	70		DCIERO
C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)CCCF)CC1	ZINC000161429372	534077877	/nfs/dbraw/zinc/07/78/77/534077877.db2.gz	UKUAGTSHGNISFG-LBPRGKRZSA-N	1	0	310.435	0.700	10	70		DCIERO
O=C(NCCc1nc(C(F)(F)F)cs1)[C@@H]1C[C@@H](O)C[NH2+]1	ZINC000161204537	526458620	/nfs/dbraw/zinc/45/86/20/526458620.db2.gz	UEJBOIVGITVIIT-RQJHMYQMSA-N	1	0	309.313	0.543	10	70		DCIERO
COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC([C@H](C)O)CC1	ZINC000159552670	396069349	/nfs/dbraw/zinc/06/93/49/396069349.db2.gz	LSULASOSTQDGOL-ZFWWWQNUSA-N	1	0	313.442	0.900	10	70		DCIERO
O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc2c1OCO2	ZINC000160470586	534624443	/nfs/dbraw/zinc/62/44/43/534624443.db2.gz	SVIFDMSHMRLJOS-LBPRGKRZSA-N	1	0	306.362	0.992	10	70		DCIERO
COc1ccc(C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)nn1	ZINC000159542152	396069157	/nfs/dbraw/zinc/06/91/57/396069157.db2.gz	DKOUSFHJGGBFFC-GFCCVEGCSA-N	1	0	320.393	0.811	10	70		DCIERO
Cn1cnc2cc(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)cnc21	ZINC000160537474	416009207	/nfs/dbraw/zinc/00/92/07/416009207.db2.gz	KGKXIEZKHJFEFB-LBPRGKRZSA-N	1	0	303.366	0.371	10	70		DCIERO
CCOC(=O)CCC[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1	ZINC000160963521	416011175	/nfs/dbraw/zinc/01/11/75/416011175.db2.gz	HBEFQLGHCKNAPK-AWEZNQCLSA-N	1	0	312.410	0.901	10	70		DCIERO
CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@H]([NH+](C)C)C2)c1CC	ZINC000160450337	522124564	/nfs/dbraw/zinc/12/45/64/522124564.db2.gz	ZVNOOVMGMMJYNT-NSHDSACASA-N	1	0	321.425	0.740	10	70		DCIERO
C[C@H](NC(=O)c1ccoc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160662463	525256774	/nfs/dbraw/zinc/25/67/74/525256774.db2.gz	IQASJHMGYIFALS-JSGCOSHPSA-N	1	0	323.393	0.361	10	70		DCIERO
C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCO[C@@H](C[NH+](C)C)C1	ZINC000160448712	525935856	/nfs/dbraw/zinc/93/58/56/525935856.db2.gz	CHQJPDUFRHHQGL-CJNGLKHVSA-N	1	0	322.405	0.735	10	70		DCIERO
CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1	ZINC000159927724	291236995	/nfs/dbraw/zinc/23/69/95/291236995.db2.gz	UGWTUUGBCFOCPW-QWRGUYRKSA-N	1	0	316.365	0.762	10	70		DCIERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1	ZINC000161406051	291241551	/nfs/dbraw/zinc/24/15/51/291241551.db2.gz	HNHCMJQKGSBZFF-MNOVXSKESA-N	1	0	310.398	0.162	10	70		DCIERO
CCC[C@H](C(=O)N1CCN(CC(=O)NC2CC2)CC1)[NH+](C)C	ZINC000161281476	291240973	/nfs/dbraw/zinc/24/09/73/291240973.db2.gz	DYNNAZIRNBMXSE-CQSZACIVSA-N	1	0	310.442	0.140	10	70		DCIERO
CCn1cnnc1[C@H]1CCC[N@H+](CCC(=O)N2CCOCC2)C1	ZINC000161269640	416011039	/nfs/dbraw/zinc/01/10/39/416011039.db2.gz	UHYKCEVJHPMQAW-AWEZNQCLSA-N	1	0	321.425	0.726	10	70		DCIERO
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161062506	416011431	/nfs/dbraw/zinc/01/14/31/416011431.db2.gz	STOVVAHEKXLTHC-JHJVBQTASA-N	1	0	304.398	0.471	10	70		DCIERO
C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)c1ccc(-n2ccnn2)cc1	ZINC000159952010	291237151	/nfs/dbraw/zinc/23/71/51/291237151.db2.gz	CKCNIAPXLUJRCY-ZJUUUORDSA-N	1	0	302.338	0.501	10	70		DCIERO
CC(C)OC[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1	ZINC000218022739	395841584	/nfs/dbraw/zinc/84/15/84/395841584.db2.gz	QJENFFCGZOMFJX-HUUCEWRRSA-N	1	0	314.426	0.343	10	70		DCIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)NC1=O	ZINC000160446728	545862943	/nfs/dbraw/zinc/86/29/43/545862943.db2.gz	CLFDDMRIXSWBBG-NEPJUHHUSA-N	1	0	310.398	0.211	10	70		DCIERO
C[NH+](C)CCC1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1	ZINC000161028959	416011912	/nfs/dbraw/zinc/01/19/12/416011912.db2.gz	CRKJAGLTZXUNLQ-CQSZACIVSA-N	1	0	320.441	0.966	10	70		DCIERO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC([C@H](C)O)CC1	ZINC000159552978	396069422	/nfs/dbraw/zinc/06/94/22/396069422.db2.gz	LSULASOSTQDGOL-DZGCQCFKSA-N	1	0	313.442	0.900	10	70		DCIERO
O=C(CNC(=O)c1ccccc1)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160382451	526864342	/nfs/dbraw/zinc/86/43/42/526864342.db2.gz	ZXWJMEUFEUCMRA-HNNXBMFYSA-N	1	0	319.405	0.379	10	70		DCIERO
CCOCCS(=O)(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000161446393	528848887	/nfs/dbraw/zinc/84/88/87/528848887.db2.gz	QTSINEYJRNPCFW-ZDUSSCGKSA-N	1	0	322.471	0.377	10	70		DCIERO
COC(=O)[C@@H]1C[C@@H](O)CN1CC[N@H+](C)Cc1ccc(F)cc1	ZINC000159557525	396069234	/nfs/dbraw/zinc/06/92/34/396069234.db2.gz	JFBGIGHAZGTDAD-CABCVRRESA-N	1	0	310.369	0.866	10	70		DCIERO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC([C@@H](C)O)CC1	ZINC000159553109	396069319	/nfs/dbraw/zinc/06/93/19/396069319.db2.gz	LSULASOSTQDGOL-UKRRQHHQSA-N	1	0	313.442	0.900	10	70		DCIERO
C[C@H]1CN(S(=O)(=O)NCc2ccc(C[NH3+])cc2)C[C@H](C)O1	ZINC000159585390	396069572	/nfs/dbraw/zinc/06/95/72/396069572.db2.gz	LSUUHLCAALUANE-RYUDHWBXSA-N	1	0	313.423	0.589	10	70		DCIERO
Cc1ccn2ncc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)c2n1	ZINC000159916580	416007183	/nfs/dbraw/zinc/00/71/83/416007183.db2.gz	SNINPRVVMMCSCD-CYBMUJFWSA-N	1	0	317.393	0.614	10	70		DCIERO
CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000161145490	416011246	/nfs/dbraw/zinc/01/12/46/416011246.db2.gz	FORTYSRSHCXAKR-ZIAGYGMSSA-N	1	0	304.456	0.895	10	70		DCIERO
O=C(CNC(=O)c1cccnc1)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000161342335	416012720	/nfs/dbraw/zinc/01/27/20/416012720.db2.gz	HQQFTPPNHMHOLI-CQSZACIVSA-N	1	0	302.378	0.508	10	70		DCIERO
[NH3+][C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)C1	ZINC000160182232	396073105	/nfs/dbraw/zinc/07/31/05/396073105.db2.gz	ZBCMZFFFQRCWRC-LSDHHAIUSA-N	1	0	301.390	0.637	10	70		DCIERO
CCc1noc(C)c1NC(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000160796022	416009821	/nfs/dbraw/zinc/00/98/21/416009821.db2.gz	PATHHHTUOMFQGP-GFCCVEGCSA-N	1	0	318.377	0.957	10	70		DCIERO
CCCC[C@@H](NC(N)=O)C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160049393	528851568	/nfs/dbraw/zinc/85/15/68/528851568.db2.gz	WHRNFQHKZPPFRV-QWHCGFSZSA-N	1	0	314.430	0.177	10	70		DCIERO
Cc1ccnc2nc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)nn21	ZINC000160496962	525719999	/nfs/dbraw/zinc/71/99/99/525719999.db2.gz	KMQJGCFEABCXSC-LBPRGKRZSA-N	1	0	318.381	0.009	10	70		DCIERO
CCCC[C@H](NC(N)=O)C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160049257	528988093	/nfs/dbraw/zinc/98/80/93/528988093.db2.gz	WHRNFQHKZPPFRV-STQMWFEESA-N	1	0	314.430	0.177	10	70		DCIERO
CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1	ZINC000159928001	291236975	/nfs/dbraw/zinc/23/69/75/291236975.db2.gz	UGWTUUGBCFOCPW-WDEREUQCSA-N	1	0	316.365	0.762	10	70		DCIERO
COc1ccc(C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)nn1	ZINC000159542283	396069337	/nfs/dbraw/zinc/06/93/37/396069337.db2.gz	DKOUSFHJGGBFFC-LBPRGKRZSA-N	1	0	320.393	0.811	10	70		DCIERO
CCC1CCC2(CC1)NC(=O)N(CC(=O)NCCC[NH3+])C2=O	ZINC000160053843	158352955	/nfs/dbraw/zinc/35/29/55/158352955.db2.gz	KUDBDGMHLBZUIE-UHFFFAOYSA-N	1	0	310.398	0.342	10	70		DCIERO
C[C@H](NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)C(=O)N(C)C	ZINC000160749590	416009749	/nfs/dbraw/zinc/00/97/49/416009749.db2.gz	CQXSGDLYQFXGJX-WOSRLPQWSA-N	1	0	311.426	0.206	10	70		DCIERO
CC[NH+](CC)[C@H](C)CNC(=O)c1ccnc2c(C(N)=O)cnn21	ZINC000159979456	520856570	/nfs/dbraw/zinc/85/65/70/520856570.db2.gz	GRYCYFRPHQWDFN-SNVBAGLBSA-N	1	0	318.381	0.288	10	70		DCIERO
Cc1c(CNC(=O)NCCCC[NH+]2CCOCC2)cnn1C	ZINC000160263348	525717053	/nfs/dbraw/zinc/71/70/53/525717053.db2.gz	FSGBLGMCZNVZDR-UHFFFAOYSA-N	1	0	309.414	0.640	10	70		DCIERO
CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)C[C@@](C)(O)CC)C1	ZINC000160829337	528056174	/nfs/dbraw/zinc/05/61/74/528056174.db2.gz	VOTQWHQBTUEHEL-BBRMVZONSA-N	1	0	314.426	0.881	10	70		DCIERO
C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NC(N)=O	ZINC000159952117	291236982	/nfs/dbraw/zinc/23/69/82/291236982.db2.gz	CKCNIAPXLUJRCY-VHSXEESVSA-N	1	0	302.338	0.501	10	70		DCIERO
COc1cccc(CS(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c1	ZINC000161457244	533533924	/nfs/dbraw/zinc/53/39/24/533533924.db2.gz	ZAZUBFJJXPVHSJ-CQSZACIVSA-N	1	0	316.423	0.427	10	70		DCIERO
CC[C@@H]1CN(C(=O)c2nc(C)c(C)[nH]c2=O)CC[N@@H+]1CCOC	ZINC000160923076	291239959	/nfs/dbraw/zinc/23/99/59/291239959.db2.gz	KIPOYFUCJACMGY-CYBMUJFWSA-N	1	0	322.409	0.570	10	70		DCIERO
COC(=O)CCCS(=O)(=O)NC[C@H]1CCC[N@@H+]1CC(C)C	ZINC000160276018	533397975	/nfs/dbraw/zinc/39/79/75/533397975.db2.gz	BBNNTZIRLBXPFU-CYBMUJFWSA-N	1	0	320.455	0.979	10	70		DCIERO
C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(S(C)(=O)=O)cs1	ZINC000160101537	521884033	/nfs/dbraw/zinc/88/40/33/521884033.db2.gz	VZXIOAMYIRNVFY-GFCCVEGCSA-N	1	0	320.436	0.194	10	70		DCIERO
CC(C)(C)CC(=O)NCC(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000159990794	527644306	/nfs/dbraw/zinc/64/43/06/527644306.db2.gz	KRDGUUBOKCFHGC-ZDUSSCGKSA-N	1	0	313.442	0.502	10	70		DCIERO
CCOCCS(=O)(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000161446255	528848209	/nfs/dbraw/zinc/84/82/09/528848209.db2.gz	QTSINEYJRNPCFW-CYBMUJFWSA-N	1	0	322.471	0.377	10	70		DCIERO
CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1	ZINC000159927860	291237011	/nfs/dbraw/zinc/23/70/11/291237011.db2.gz	UGWTUUGBCFOCPW-MNOVXSKESA-N	1	0	316.365	0.762	10	70		DCIERO
O=C(Cc1cn2ccccc2n1)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160396009	527321202	/nfs/dbraw/zinc/32/12/02/527321202.db2.gz	ZTCFBOVCMVAJPH-HNNXBMFYSA-N	1	0	316.405	0.840	10	70		DCIERO
C[NH+](C)CCNC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000217287244	395838714	/nfs/dbraw/zinc/83/87/14/395838714.db2.gz	AXCRXWKJZGOQDU-CQSZACIVSA-N	1	0	304.394	0.648	10	70		DCIERO
NC(=O)c1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1	ZINC000159977907	527041155	/nfs/dbraw/zinc/04/11/55/527041155.db2.gz	SLRZMBKITYXDRD-AWEZNQCLSA-N	1	0	305.378	0.362	10	70		DCIERO
CC1CCC([NH+]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1	ZINC000160006701	291236827	/nfs/dbraw/zinc/23/68/27/291236827.db2.gz	WRWOTXOOQMMCNG-BPCQOVAHSA-N	1	0	322.409	0.307	10	70		DCIERO
C[NH+]1CCN(Cc2ccc(C(=O)NC3(CO)CC3)cc2)CC1	ZINC000160283194	158353288	/nfs/dbraw/zinc/35/32/88/158353288.db2.gz	HSDPEGWSDHRMCV-UHFFFAOYSA-N	1	0	303.406	0.689	10	70		DCIERO
CN(CC(=O)N1CC[NH2+]CC1)c1nnc(C(F)(F)F)s1	ZINC000160359109	158354643	/nfs/dbraw/zinc/35/46/43/158354643.db2.gz	ZYFSUCUCEQKOKB-UHFFFAOYSA-N	1	0	309.317	0.425	10	70		DCIERO
CN(C)c1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cn1	ZINC000160352882	522149710	/nfs/dbraw/zinc/14/97/10/522149710.db2.gz	BVNOQSLCRAKZKI-AWEZNQCLSA-N	1	0	306.410	0.724	10	70		DCIERO
CCn1cnnc1[C@@H]1CCC[N@H+](CCC(=O)N2CCOCC2)C1	ZINC000161269504	416011098	/nfs/dbraw/zinc/01/10/98/416011098.db2.gz	UHYKCEVJHPMQAW-CQSZACIVSA-N	1	0	321.425	0.726	10	70		DCIERO
COC[C@H](O)CCNC(=O)c1ccccc1OCC[NH+](C)C	ZINC000161339138	522776906	/nfs/dbraw/zinc/77/69/06/522776906.db2.gz	LSSAWNWJRCUVCS-CYBMUJFWSA-N	1	0	310.394	0.754	10	70		DCIERO
Cc1nc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(=O)[nH]c1C	ZINC000159538360	396069897	/nfs/dbraw/zinc/06/98/97/396069897.db2.gz	WTTXIFKADDXFIH-GHMZBOCLSA-N	1	0	322.409	0.616	10	70		DCIERO
C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCO[C@H](C[NH+](C)C)C1	ZINC000160448456	158354354	/nfs/dbraw/zinc/35/43/54/158354354.db2.gz	CHQJPDUFRHHQGL-CZUORRHYSA-N	1	0	322.405	0.735	10	70		DCIERO
CS(=O)(=O)N1CCC[C@H](C[NH+]2CCC(OCCO)CC2)C1	ZINC000160437007	158354524	/nfs/dbraw/zinc/35/45/24/158354524.db2.gz	BZOHWMKSNAPODT-CYBMUJFWSA-N	1	0	320.455	0.131	10	70		DCIERO
O=C(N[C@@H]1CCc2ncnn2C1)N1CCC([NH+]2CCCC2)CC1	ZINC000161225058	279922494	/nfs/dbraw/zinc/92/24/94/279922494.db2.gz	HERFRDRNXXFWEY-CYBMUJFWSA-N	1	0	318.425	0.863	10	70		DCIERO
C[NH+](C)Cc1cc(CNC(=O)C[C@@H]2NC(=O)NC2=O)ccc1F	ZINC000159634355	521887860	/nfs/dbraw/zinc/88/78/60/521887860.db2.gz	YWJIPYJOXJILDD-LBPRGKRZSA-N	1	0	322.340	0.102	10	70		DCIERO
O=C(N[C@H]1CCc2ncnn2C1)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000161128710	284239890	/nfs/dbraw/zinc/23/98/90/284239890.db2.gz	LOVIYHCCRPNTHE-STQMWFEESA-N	1	0	304.398	0.473	10	70		DCIERO
CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000161130497	158355214	/nfs/dbraw/zinc/35/52/14/158355214.db2.gz	RMIUSCAYQUXYAH-QWHCGFSZSA-N	1	0	319.471	0.503	10	70		DCIERO
CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1	ZINC000160719780	158355792	/nfs/dbraw/zinc/35/57/92/158355792.db2.gz	LMEUBJDZQGDCEW-BXUZGUMPSA-N	1	0	323.397	0.054	10	70		DCIERO
CCc1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)s1	ZINC000161424365	158357508	/nfs/dbraw/zinc/35/75/08/158357508.db2.gz	ZGGBDDMLOXOCFK-GFCCVEGCSA-N	1	0	306.453	0.901	10	70		DCIERO
Cc1cc(OCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)nn1C	ZINC000159740218	525361390	/nfs/dbraw/zinc/36/13/90/525361390.db2.gz	PDUOGPOSCITUTD-CQSZACIVSA-N	1	0	324.425	0.580	10	70		DCIERO
O=C1NC2(CCCC2)C(=O)N1CCN1CC[NH+](C2CC2)CC1	ZINC000159719210	396070593	/nfs/dbraw/zinc/07/05/93/396070593.db2.gz	RWBQSMRGRLKREG-UHFFFAOYSA-N	1	0	306.410	0.631	10	70		DCIERO
Cc1cc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c(C)s1	ZINC000161480412	416013240	/nfs/dbraw/zinc/01/32/40/416013240.db2.gz	OGQIDNABQBBRQJ-LBPRGKRZSA-N	1	0	306.453	0.956	10	70		DCIERO
O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)OCO2	ZINC000160253781	526572939	/nfs/dbraw/zinc/57/29/39/526572939.db2.gz	QDEUOEAQLWWPQP-ZDUSSCGKSA-N	1	0	306.362	0.992	10	70		DCIERO
[NH3+]CCCNC(=O)CC[S@](=O)c1ccc2c(c1)OCCO2	ZINC000160176134	527180473	/nfs/dbraw/zinc/18/04/73/527180473.db2.gz	NFCKNTVVHAUZAS-OAQYLSRUSA-N	1	0	312.391	0.421	10	70		DCIERO
[NH3+]CCCNC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1	ZINC000160015802	158353406	/nfs/dbraw/zinc/35/34/06/158353406.db2.gz	UEXJLTUSEQAFEU-UHFFFAOYSA-N	1	0	314.271	0.760	10	70		DCIERO
O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H](c1ccco1)[NH+]1CCCC1	ZINC000160397452	527139329	/nfs/dbraw/zinc/13/93/29/527139329.db2.gz	LIGLLJQHZQYIMI-QWRGUYRKSA-N	1	0	320.349	0.131	10	70		DCIERO
CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)C1	ZINC000159397483	291234937	/nfs/dbraw/zinc/23/49/37/291234937.db2.gz	WLSHGOZWBAERJD-OCCSQVGLSA-N	1	0	323.418	0.024	10	70		DCIERO
O=C(N[C@@H]1CCc2ncnn2C1)N1CC[N@@H+]2CCCC[C@@H]2C1	ZINC000161151667	284120176	/nfs/dbraw/zinc/12/01/76/284120176.db2.gz	SYPRIRBICZNYMM-CHWSQXEVSA-N	1	0	304.398	0.473	10	70		DCIERO
CNC(=O)c1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)cc1	ZINC000159914056	396071389	/nfs/dbraw/zinc/07/13/89/396071389.db2.gz	PQBSAAWYNNWYBK-CYBMUJFWSA-N	1	0	311.407	0.404	10	70		DCIERO
C[NH+]1CCN(Cc2cccc(C(=O)NC3(CO)CC3)c2)CC1	ZINC000160241629	396073624	/nfs/dbraw/zinc/07/36/24/396073624.db2.gz	CUBCPDIQPLLQGL-UHFFFAOYSA-N	1	0	303.406	0.689	10	70		DCIERO
CN(C)c1nc(CN2CCC([N@H+](C)CCCO)CC2)ns1	ZINC000161029872	529802310	/nfs/dbraw/zinc/80/23/10/529802310.db2.gz	KLCWPJPUFXNZGS-UHFFFAOYSA-N	1	0	313.471	0.883	10	70		DCIERO
O=C(NCCc1nc(C(F)(F)F)cs1)[C@@H]1C[C@H](O)C[NH2+]1	ZINC000161204333	526458564	/nfs/dbraw/zinc/45/85/64/526458564.db2.gz	UEJBOIVGITVIIT-BQBZGAKWSA-N	1	0	309.313	0.543	10	70		DCIERO
O=C(NCCCC[NH+]1CCOCC1)NOCc1cccnc1	ZINC000161081888	527651892	/nfs/dbraw/zinc/65/18/92/527651892.db2.gz	KLVVMCYJITZRGC-UHFFFAOYSA-N	1	0	308.382	0.925	10	70		DCIERO
C[NH+](C)CCNC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000217287242	395838697	/nfs/dbraw/zinc/83/86/97/395838697.db2.gz	AXCRXWKJZGOQDU-AWEZNQCLSA-N	1	0	304.394	0.648	10	70		DCIERO
C[NH+]1CCN(c2cc(C(=O)N[C@H]3CCC[C@@H]3O)ccn2)CC1	ZINC000161209842	396076050	/nfs/dbraw/zinc/07/60/50/396076050.db2.gz	CMNDWNLFSFLFNG-KBPBESRZSA-N	1	0	304.394	0.477	10	70		DCIERO
C[C@H](Oc1cccc(CO)c1)C(=O)N1CCO[C@@H](C[NH+](C)C)C1	ZINC000160448582	158354142	/nfs/dbraw/zinc/35/41/42/158354142.db2.gz	CHQJPDUFRHHQGL-BBRMVZONSA-N	1	0	322.405	0.735	10	70		DCIERO
C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000160005211	237081041	/nfs/dbraw/zinc/08/10/41/237081041.db2.gz	NRDYOJLTNWTJTL-CHWSQXEVSA-N	1	0	323.393	0.361	10	70		DCIERO
CCc1noc(C)c1NC(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1	ZINC000160957262	416011872	/nfs/dbraw/zinc/01/18/72/416011872.db2.gz	RSBYGUSAGOPJNN-NSHDSACASA-N	1	0	324.381	0.273	10	70		DCIERO
CC[NH+](CC)[C@@H](C)CNC(=O)c1ccnc2c(C(N)=O)cnn21	ZINC000159979325	520829690	/nfs/dbraw/zinc/82/96/90/520829690.db2.gz	GRYCYFRPHQWDFN-JTQLQIEISA-N	1	0	318.381	0.288	10	70		DCIERO
CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1	ZINC000159928136	291236977	/nfs/dbraw/zinc/23/69/77/291236977.db2.gz	UGWTUUGBCFOCPW-GHMZBOCLSA-N	1	0	316.365	0.762	10	70		DCIERO
CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC(OCCO)CC2)C1	ZINC000160437156	158354895	/nfs/dbraw/zinc/35/48/95/158354895.db2.gz	BZOHWMKSNAPODT-ZDUSSCGKSA-N	1	0	320.455	0.131	10	70		DCIERO
CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1	ZINC000161356196	416013953	/nfs/dbraw/zinc/01/39/53/416013953.db2.gz	IRJCOKFQAXTGML-ZDUSSCGKSA-N	1	0	306.414	0.765	10	70		DCIERO
Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cn1	ZINC000160040418	525005164	/nfs/dbraw/zinc/00/51/64/525005164.db2.gz	DCORNQHLNDOZRD-CQSZACIVSA-N	1	0	320.393	0.292	10	70		DCIERO
CCN(C)S(=O)(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000161471226	527847995	/nfs/dbraw/zinc/84/79/95/527847995.db2.gz	AVDPGATYZQJGBV-GFCCVEGCSA-N	1	0	307.460	0.208	10	70		DCIERO
O=C(N[C@H]1CCc2ncnn2C1)N1CCC([NH+]2CCCC2)CC1	ZINC000161225187	284240156	/nfs/dbraw/zinc/24/01/56/284240156.db2.gz	HERFRDRNXXFWEY-ZDUSSCGKSA-N	1	0	318.425	0.863	10	70		DCIERO
C[C@@H]1CN(S(=O)(=O)NCc2ccc(C[NH3+])cc2)C[C@@H](C)O1	ZINC000159585512	396069287	/nfs/dbraw/zinc/06/92/87/396069287.db2.gz	LSUUHLCAALUANE-VXGBXAGGSA-N	1	0	313.423	0.589	10	70		DCIERO
CCOC(=O)C1CCN(C(=O)C[N@H+](C)C[C@@](C)(O)CC)CC1	ZINC000160832693	528633026	/nfs/dbraw/zinc/63/30/26/528633026.db2.gz	SBRPCLIQPTXEEX-INIZCTEOSA-N	1	0	314.426	0.881	10	70		DCIERO
CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000160832136	416009651	/nfs/dbraw/zinc/00/96/51/416009651.db2.gz	JEVKPICXZQNENE-CJNGLKHVSA-N	1	0	312.410	0.635	10	70		DCIERO
CCn1cc(C2CC[NH+](CCN3C(=O)CNC3=O)CC2)cn1	ZINC000160472560	523356380	/nfs/dbraw/zinc/35/63/80/523356380.db2.gz	LAZZICURMWXDCT-UHFFFAOYSA-N	1	0	305.382	0.634	10	70		DCIERO
O=C(NCCc1cscn1)NC[C@H](O)C[NH+]1CCCCC1	ZINC000159548436	291235361	/nfs/dbraw/zinc/23/53/61/291235361.db2.gz	VYXSQUXJHACGLP-ZDUSSCGKSA-N	1	0	312.439	0.832	10	70		DCIERO
COCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)CC2	ZINC000160800357	158356321	/nfs/dbraw/zinc/35/63/21/158356321.db2.gz	FEUFUFUBDSMOLT-VXGBXAGGSA-N	1	0	322.413	0.085	10	70		DCIERO
O=C(N[C@@H]1CCc2ncnn2C1)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000161128611	279922643	/nfs/dbraw/zinc/92/26/43/279922643.db2.gz	LOVIYHCCRPNTHE-OLZOCXBDSA-N	1	0	304.398	0.473	10	70		DCIERO
COC[C@H](C)S(=O)(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000161448238	237096262	/nfs/dbraw/zinc/09/62/62/237096262.db2.gz	GRTMYXJHSBNOBS-STQMWFEESA-N	1	0	322.471	0.376	10	70		DCIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)NC(C)(C)C1=O	ZINC000160566138	291239331	/nfs/dbraw/zinc/23/93/31/291239331.db2.gz	OSRRYGGDHQGXFB-GFCCVEGCSA-N	1	0	324.425	0.553	10	70		DCIERO
O=C(N[C@H]1CCc2ncnn2C1)N1CC[N@@H+]2CCCC[C@@H]2C1	ZINC000161151787	396076480	/nfs/dbraw/zinc/07/64/80/396076480.db2.gz	SYPRIRBICZNYMM-QWHCGFSZSA-N	1	0	304.398	0.473	10	70		DCIERO
C[C@@H](Oc1cccnc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160007904	525965459	/nfs/dbraw/zinc/96/54/59/525965459.db2.gz	UUTPCFDERRWORX-KGLIPLIRSA-N	1	0	307.394	0.812	10	70		DCIERO
O=C(Cc1ccc2c(c1)OCO2)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160391008	527252921	/nfs/dbraw/zinc/25/29/21/527252921.db2.gz	YCFQTQWSOUGLBE-AWEZNQCLSA-N	1	0	320.389	0.921	10	70		DCIERO
COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC([C@@H](C)O)CC1	ZINC000159552816	523831066	/nfs/dbraw/zinc/83/10/66/523831066.db2.gz	LSULASOSTQDGOL-HIFRSBDPSA-N	1	0	313.442	0.900	10	70		DCIERO
NC(=O)c1cccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1	ZINC000160475689	527076040	/nfs/dbraw/zinc/07/60/40/527076040.db2.gz	NFZIIGYQEYZMRJ-AWEZNQCLSA-N	1	0	305.378	0.362	10	70		DCIERO
Cc1nc(SCC(=O)NC[C@H](O)C[NH+]2CCCCC2)n[nH]1	ZINC000160291511	237079889	/nfs/dbraw/zinc/07/98/89/237079889.db2.gz	FOJLIMTXMQHIOP-NSHDSACASA-N	1	0	313.427	0.168	10	70		DCIERO
C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCN1C(=O)NC2(CCCC2)C1=O	ZINC000160533246	396074159	/nfs/dbraw/zinc/07/41/59/396074159.db2.gz	XIHHCNIWMORWJO-VXGBXAGGSA-N	1	0	322.409	0.437	10	70		DCIERO
CC(C)CC(=O)NCCC(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160533249	527661439	/nfs/dbraw/zinc/66/14/39/527661439.db2.gz	AEJOPCNEFZIHSO-AWEZNQCLSA-N	1	0	313.442	0.502	10	70		DCIERO
C[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NC(N)=O	ZINC000159951865	291236997	/nfs/dbraw/zinc/23/69/97/291236997.db2.gz	CKCNIAPXLUJRCY-UWVGGRQHSA-N	1	0	302.338	0.501	10	70		DCIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)CS(C)(=O)=O	ZINC000160435398	291238676	/nfs/dbraw/zinc/23/86/76/291238676.db2.gz	SDCBRLGJFZYVOX-QWHCGFSZSA-N	1	0	304.456	0.904	10	70		DCIERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCSc2nnnn2C)C1	ZINC000161388440	291241759	/nfs/dbraw/zinc/24/17/59/291241759.db2.gz	SAMPDHOJSYTPIV-MNOVXSKESA-N	1	0	312.443	0.537	10	70		DCIERO
CCc1nnc(CN2CCCC[C@H]([NH+]3CCN(C)CC3)C2)[nH]1	ZINC000159377917	396067686	/nfs/dbraw/zinc/06/76/86/396067686.db2.gz	KETAESUOTKKIJO-AWEZNQCLSA-N	1	0	306.458	0.969	10	70		DCIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)CS(C)(=O)=O	ZINC000160435516	291238752	/nfs/dbraw/zinc/23/87/52/291238752.db2.gz	SDCBRLGJFZYVOX-CHWSQXEVSA-N	1	0	304.456	0.904	10	70		DCIERO
C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCN1C(=O)NC2(CCCC2)C1=O	ZINC000160533123	396074234	/nfs/dbraw/zinc/07/42/34/396074234.db2.gz	XIHHCNIWMORWJO-RYUDHWBXSA-N	1	0	322.409	0.437	10	70		DCIERO
COC(CN1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1)OC	ZINC000160952251	416011119	/nfs/dbraw/zinc/01/11/19/416011119.db2.gz	ZEDVUKCEGPRJCE-OAHLLOKOSA-N	1	0	315.458	0.332	10	70		DCIERO
CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000161145616	282153751	/nfs/dbraw/zinc/15/37/51/282153751.db2.gz	FORTYSRSHCXAKR-KGLIPLIRSA-N	1	0	304.456	0.895	10	70		DCIERO
C[N@H+](C[C@@H]1CCC[C@@H]1O)C[C@@H]1CCCN(S(C)(=O)=O)C1	ZINC000159688237	529952728	/nfs/dbraw/zinc/95/27/28/529952728.db2.gz	UUFOOGYVDSHZLH-IHRRRGAJSA-N	1	0	304.456	0.751	10	70		DCIERO
COCCC1(CNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1	ZINC000161146379	533198746	/nfs/dbraw/zinc/19/87/46/533198746.db2.gz	JBFMYNFFGROZQV-CQSZACIVSA-N	1	0	313.442	0.949	10	70		DCIERO
CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NCCC[NH3+])c1C	ZINC000159645445	521368216	/nfs/dbraw/zinc/36/82/16/521368216.db2.gz	CDMHAWOEMHMYJN-UHFFFAOYSA-N	1	0	303.384	0.435	10	70		DCIERO
COC(=O)c1[nH]c(C)c(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1C	ZINC000160971842	524022353	/nfs/dbraw/zinc/02/23/53/524022353.db2.gz	WGBUSXSCJWTIMB-GFCCVEGCSA-N	1	0	323.393	0.821	10	70		DCIERO
[NH3+]CCCNC(=O)CC[S@@](=O)c1ccc2c(c1)OCCO2	ZINC000160176257	527180437	/nfs/dbraw/zinc/18/04/37/527180437.db2.gz	NFCKNTVVHAUZAS-NRFANRHFSA-N	1	0	312.391	0.421	10	70		DCIERO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1nocc1C	ZINC000161262700	237092863	/nfs/dbraw/zinc/09/28/63/237092863.db2.gz	SQWGPWBMOPRCEV-LLVKDONJSA-N	1	0	310.354	0.149	10	70		DCIERO
CCc1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)s1	ZINC000161424249	158357496	/nfs/dbraw/zinc/35/74/96/158357496.db2.gz	ZGGBDDMLOXOCFK-LBPRGKRZSA-N	1	0	306.453	0.901	10	70		DCIERO
Cc1cc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c(C)s1	ZINC000161480541	416012973	/nfs/dbraw/zinc/01/29/73/416012973.db2.gz	OGQIDNABQBBRQJ-GFCCVEGCSA-N	1	0	306.453	0.956	10	70		DCIERO
CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000160832023	276278300	/nfs/dbraw/zinc/27/83/00/276278300.db2.gz	JEVKPICXZQNENE-CZUORRHYSA-N	1	0	312.410	0.635	10	70		DCIERO
C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000160533303	279216119	/nfs/dbraw/zinc/21/61/19/279216119.db2.gz	NZNKXNRXYSPOLC-XHBSWPGZSA-N	1	0	309.410	0.990	10	70		DCIERO
CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)C1	ZINC000159397885	291234930	/nfs/dbraw/zinc/23/49/30/291234930.db2.gz	WLSHGOZWBAERJD-GXTWGEPZSA-N	1	0	323.418	0.024	10	70		DCIERO
CC(C)CCn1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)nn1	ZINC000160262364	527877444	/nfs/dbraw/zinc/87/74/44/527877444.db2.gz	BDROHXZGLWVBAC-AWEZNQCLSA-N	1	0	323.441	0.901	10	70		DCIERO
C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)C[C@@H]1CCC[C@@H]1O	ZINC000159686296	291235923	/nfs/dbraw/zinc/23/59/23/291235923.db2.gz	YOSYXIMGRALMCL-DYEKYZERSA-N	1	0	311.426	0.205	10	70		DCIERO
Cc1cnn(-c2ccc(NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)cc2F)c1	ZINC000159776921	396070683	/nfs/dbraw/zinc/07/06/83/396070683.db2.gz	QQQOOXWDOFALKK-YPMHNXCESA-N	1	0	304.325	0.981	10	70		DCIERO
CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1	ZINC000161356075	519718821	/nfs/dbraw/zinc/71/88/21/519718821.db2.gz	IRJCOKFQAXTGML-CYBMUJFWSA-N	1	0	306.414	0.765	10	70		DCIERO
C[C@@H]1CN(S(=O)(=O)NCc2ccc(C[NH3+])cc2)C[C@H](C)O1	ZINC000159585304	396069769	/nfs/dbraw/zinc/06/97/69/396069769.db2.gz	LSUUHLCAALUANE-TXEJJXNPSA-N	1	0	313.423	0.589	10	70		DCIERO
CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1	ZINC000160719912	158355391	/nfs/dbraw/zinc/35/53/91/158355391.db2.gz	LMEUBJDZQGDCEW-SMDDNHRTSA-N	1	0	323.397	0.054	10	70		DCIERO
CCc1noc(C)c1NC(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1	ZINC000160957122	416010726	/nfs/dbraw/zinc/01/07/26/416010726.db2.gz	RSBYGUSAGOPJNN-LLVKDONJSA-N	1	0	324.381	0.273	10	70		DCIERO
CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)c1CC	ZINC000160450458	522126174	/nfs/dbraw/zinc/12/61/74/522126174.db2.gz	ZVNOOVMGMMJYNT-LLVKDONJSA-N	1	0	321.425	0.740	10	70		DCIERO
CCn1nnnc1-c1cccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c1	ZINC000159585360	523769831	/nfs/dbraw/zinc/76/98/31/523769831.db2.gz	UFWQUTOSCQKWQD-NEPJUHHUSA-N	1	0	302.338	0.021	10	70		DCIERO
CCOC(=O)CCS(=O)(=O)NC[C@H]1CCC[N@@H+]1CC(C)C	ZINC000160309363	528743642	/nfs/dbraw/zinc/74/36/42/528743642.db2.gz	LBHNPUCJFBOYRK-CYBMUJFWSA-N	1	0	320.455	0.979	10	70		DCIERO
CNC(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1	ZINC000159913913	396071206	/nfs/dbraw/zinc/07/12/06/396071206.db2.gz	PQBSAAWYNNWYBK-ZDUSSCGKSA-N	1	0	311.407	0.404	10	70		DCIERO
CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161174900	416011453	/nfs/dbraw/zinc/01/14/53/416011453.db2.gz	FXZUBCHEIJIGDV-ZDUSSCGKSA-N	1	0	308.430	0.822	10	70		DCIERO
C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc(S(C)(=O)=O)cs1	ZINC000160101689	521855219	/nfs/dbraw/zinc/85/52/19/521855219.db2.gz	VZXIOAMYIRNVFY-LBPRGKRZSA-N	1	0	320.436	0.194	10	70		DCIERO
COC(=O)c1[nH]c(C)c(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1C	ZINC000160971975	524021815	/nfs/dbraw/zinc/02/18/15/524021815.db2.gz	WGBUSXSCJWTIMB-LBPRGKRZSA-N	1	0	323.393	0.821	10	70		DCIERO
C[C@H](Oc1cccnc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160007757	525969476	/nfs/dbraw/zinc/96/94/76/525969476.db2.gz	UUTPCFDERRWORX-KBPBESRZSA-N	1	0	307.394	0.812	10	70		DCIERO
O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H](c1ccco1)[NH+]1CCCC1	ZINC000160397318	527139976	/nfs/dbraw/zinc/13/99/76/527139976.db2.gz	LIGLLJQHZQYIMI-WDEREUQCSA-N	1	0	320.349	0.131	10	70		DCIERO
COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1nocc1C	ZINC000161262574	237096536	/nfs/dbraw/zinc/09/65/36/237096536.db2.gz	SQWGPWBMOPRCEV-NSHDSACASA-N	1	0	310.354	0.149	10	70		DCIERO
Cc1cnn(-c2ccc(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)cc2F)c1	ZINC000159776665	396070598	/nfs/dbraw/zinc/07/05/98/396070598.db2.gz	QQQOOXWDOFALKK-AAEUAGOBSA-N	1	0	304.325	0.981	10	70		DCIERO
CCn1cnnc1[C@@H]1CCC[N@H+](CCC(=O)NC(=O)NC)C1	ZINC000161413877	416013736	/nfs/dbraw/zinc/01/37/36/416013736.db2.gz	QAONOBPJVBMVMX-LLVKDONJSA-N	1	0	308.386	0.323	10	70		DCIERO
C[NH+](C)CCC1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1	ZINC000161029077	524051162	/nfs/dbraw/zinc/05/11/62/524051162.db2.gz	CRKJAGLTZXUNLQ-AWEZNQCLSA-N	1	0	320.441	0.966	10	70		DCIERO
CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)C[C@](C)(O)CC)C1	ZINC000160829469	528055552	/nfs/dbraw/zinc/05/55/52/528055552.db2.gz	VOTQWHQBTUEHEL-XJKSGUPXSA-N	1	0	314.426	0.881	10	70		DCIERO
C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160004921	237079519	/nfs/dbraw/zinc/07/95/19/237079519.db2.gz	NRDYOJLTNWTJTL-OLZOCXBDSA-N	1	0	323.393	0.361	10	70		DCIERO
CCC(CC)(C[NH2+]C[C@@H](O)CN1CCCC1=O)C(=O)OC	ZINC000159651960	291235225	/nfs/dbraw/zinc/23/52/25/291235225.db2.gz	GCEFPYZZHCHGNR-GFCCVEGCSA-N	1	0	300.399	0.539	10	70		DCIERO
O=C(N[C@@H]1CCc2ncnn2C1)N1CC[NH+](C2CCCC2)CC1	ZINC000160982419	284120092	/nfs/dbraw/zinc/12/00/92/284120092.db2.gz	ZUISPIISXWPYPX-CYBMUJFWSA-N	1	0	318.425	0.863	10	70		DCIERO
O=C(N[C@H]1CCc2ncnn2C1)N1CC[NH+](C2CCCC2)CC1	ZINC000160982545	284240172	/nfs/dbraw/zinc/24/01/72/284240172.db2.gz	ZUISPIISXWPYPX-ZDUSSCGKSA-N	1	0	318.425	0.863	10	70		DCIERO
Cc1cc(OCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)nn1C	ZINC000159740325	525361005	/nfs/dbraw/zinc/36/10/05/525361005.db2.gz	PDUOGPOSCITUTD-AWEZNQCLSA-N	1	0	324.425	0.580	10	70		DCIERO
CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)C1	ZINC000159397739	291234704	/nfs/dbraw/zinc/23/47/04/291234704.db2.gz	WLSHGOZWBAERJD-TZMCWYRMSA-N	1	0	323.418	0.024	10	70		DCIERO
CCC(CC)(C[NH2+]C[C@H](O)CN1CCCC1=O)C(=O)OC	ZINC000159651824	291235259	/nfs/dbraw/zinc/23/52/59/291235259.db2.gz	GCEFPYZZHCHGNR-LBPRGKRZSA-N	1	0	300.399	0.539	10	70		DCIERO
CNC(=O)c1cccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1	ZINC000160413151	521864364	/nfs/dbraw/zinc/86/43/64/521864364.db2.gz	YTMZAKVHLZSAQG-HNNXBMFYSA-N	1	0	319.405	0.623	10	70		DCIERO
CC(C)(C)C(=O)NCCC(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160697832	527587105	/nfs/dbraw/zinc/58/71/05/527587105.db2.gz	LAIKAXHRQUBJRQ-ZDUSSCGKSA-N	1	0	313.442	0.502	10	70		DCIERO
COCCC1(CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1	ZINC000161146253	237089684	/nfs/dbraw/zinc/08/96/84/237089684.db2.gz	JBFMYNFFGROZQV-AWEZNQCLSA-N	1	0	313.442	0.949	10	70		DCIERO
O=C(CNC(=O)c1cccnc1)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000161342266	416013655	/nfs/dbraw/zinc/01/36/55/416013655.db2.gz	HQQFTPPNHMHOLI-AWEZNQCLSA-N	1	0	302.378	0.508	10	70		DCIERO
Cc1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCCCC2)cn1	ZINC000160040309	525005492	/nfs/dbraw/zinc/00/54/92/525005492.db2.gz	DCORNQHLNDOZRD-AWEZNQCLSA-N	1	0	320.393	0.292	10	70		DCIERO
COCc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)CC2	ZINC000160800731	416009073	/nfs/dbraw/zinc/00/90/73/416009073.db2.gz	FEUFUFUBDSMOLT-RYUDHWBXSA-N	1	0	322.413	0.085	10	70		DCIERO
C[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NC(N)=O	ZINC000159952262	291237112	/nfs/dbraw/zinc/23/71/12/291237112.db2.gz	CKCNIAPXLUJRCY-NXEZZACHSA-N	1	0	302.338	0.501	10	70		DCIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCN1C(=O)CCC1=O	ZINC000160529710	291238592	/nfs/dbraw/zinc/23/85/92/291238592.db2.gz	TWHDMMOFMJRZMP-CYBMUJFWSA-N	1	0	309.410	0.762	10	70		DCIERO
CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161174786	416010706	/nfs/dbraw/zinc/01/07/06/416010706.db2.gz	FXZUBCHEIJIGDV-CYBMUJFWSA-N	1	0	308.430	0.822	10	70		DCIERO
CCn1nnnc1-c1cccc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c1	ZINC000159585114	523770307	/nfs/dbraw/zinc/77/03/07/523770307.db2.gz	UFWQUTOSCQKWQD-RYUDHWBXSA-N	1	0	302.338	0.021	10	70		DCIERO
O=C(CC[NH+]1CCN(c2ccccc2)CC1)NC1(CO)CC1	ZINC000160232571	291237444	/nfs/dbraw/zinc/23/74/44/291237444.db2.gz	HDFCEAIRRZNKCE-UHFFFAOYSA-N	1	0	303.406	0.840	10	70		DCIERO
C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)CCCF)CC1	ZINC000161429456	533666303	/nfs/dbraw/zinc/66/63/03/533666303.db2.gz	UKUAGTSHGNISFG-GFCCVEGCSA-N	1	0	310.435	0.700	10	70		DCIERO
O=C(NCC1CC[NH+](CCO)CC1)c1cccc2c1OCO2	ZINC000160583992	158354266	/nfs/dbraw/zinc/35/42/66/158354266.db2.gz	MLWMQHJJMCQUAH-UHFFFAOYSA-N	1	0	306.362	0.849	10	70		DCIERO
CCN(CC)S(=O)(=O)CC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000161130629	158356360	/nfs/dbraw/zinc/35/63/60/158356360.db2.gz	RMIUSCAYQUXYAH-STQMWFEESA-N	1	0	319.471	0.503	10	70		DCIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1NC(=O)NC1=O	ZINC000160446594	545862382	/nfs/dbraw/zinc/86/23/82/545862382.db2.gz	CLFDDMRIXSWBBG-VXGBXAGGSA-N	1	0	310.398	0.211	10	70		DCIERO
O=C(NC[C@H](O)C[NH+]1CCCCC1)c1n[nH]c2c1CCCC2	ZINC000160396987	396074578	/nfs/dbraw/zinc/07/45/78/396074578.db2.gz	RJVXWNYWDMRBEX-LBPRGKRZSA-N	1	0	306.410	0.865	10	70		DCIERO
Cn1cnc2cc(C(=O)N3CCO[C@H](C[NH+](C)C)C3)cnc21	ZINC000160537337	416008577	/nfs/dbraw/zinc/00/85/77/416008577.db2.gz	KGKXIEZKHJFEFB-GFCCVEGCSA-N	1	0	303.366	0.371	10	70		DCIERO
COC(CN1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1)OC	ZINC000160952379	416011105	/nfs/dbraw/zinc/01/11/05/416011105.db2.gz	ZEDVUKCEGPRJCE-HNNXBMFYSA-N	1	0	315.458	0.332	10	70		DCIERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1	ZINC000161342729	416012737	/nfs/dbraw/zinc/01/27/37/416012737.db2.gz	QGANTAXXTQALRH-BZPMIXESSA-N	1	0	319.409	0.608	10	70		DCIERO
Cc1ccn2ncc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)c2n1	ZINC000159916447	281443440	/nfs/dbraw/zinc/44/34/40/281443440.db2.gz	SNINPRVVMMCSCD-ZDUSSCGKSA-N	1	0	317.393	0.614	10	70		DCIERO
CC[C@H]1CN(C(=O)c2nc(C)c(C)[nH]c2=O)CC[N@@H+]1CCOC	ZINC000160923200	291239824	/nfs/dbraw/zinc/23/98/24/291239824.db2.gz	KIPOYFUCJACMGY-ZDUSSCGKSA-N	1	0	322.409	0.570	10	70		DCIERO
COC[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1	ZINC000159426829	396068789	/nfs/dbraw/zinc/06/87/89/396068789.db2.gz	HTJAHNXJHJXLDT-LBPRGKRZSA-N	1	0	313.379	0.040	10	70		DCIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)N1CCOCC1	ZINC000160273383	158352810	/nfs/dbraw/zinc/35/28/10/158352810.db2.gz	QBEDJWINZOAIAY-CYBMUJFWSA-N	1	0	305.444	0.273	10	70		DCIERO
C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160350811	299025455	/nfs/dbraw/zinc/02/54/55/299025455.db2.gz	VOBCPVBJDHMEOX-STQMWFEESA-N	1	0	313.442	0.500	10	70		DCIERO
C[C@H](NC(=O)c1ccco1)C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160004779	533762181	/nfs/dbraw/zinc/76/21/81/533762181.db2.gz	NRDYOJLTNWTJTL-STQMWFEESA-N	1	0	323.393	0.361	10	70		DCIERO
C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cccc2ncccc21	ZINC000161411928	237096028	/nfs/dbraw/zinc/09/60/28/237096028.db2.gz	SXFMTPRWRKSTEX-HNNXBMFYSA-N	1	0	323.418	0.826	10	70		DCIERO
CCc1noc(C)c1NC(=O)C(=O)NCC[N@H+](C)CCOC	ZINC000160669000	291239316	/nfs/dbraw/zinc/23/93/16/291239316.db2.gz	OCQVVHRWJFBCRH-UHFFFAOYSA-N	1	0	312.370	0.178	10	70		DCIERO
CC(C)[N@H+]1C[C@H](NC(=O)CCSc2nnnn2C)[C@@H](C)C1	ZINC000161388548	291241648	/nfs/dbraw/zinc/24/16/48/291241648.db2.gz	SAMPDHOJSYTPIV-QWRGUYRKSA-N	1	0	312.443	0.537	10	70		DCIERO
COC(=O)[C@H](C)CS(=O)(=O)NC[C@H]1CCC[N@@H+]1CC(C)C	ZINC000160291048	284259054	/nfs/dbraw/zinc/25/90/54/284259054.db2.gz	OYKBZKORZDIRPJ-CHWSQXEVSA-N	1	0	320.455	0.835	10	70		DCIERO
CC(=O)c1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)n(C)c1	ZINC000160551158	518267032	/nfs/dbraw/zinc/26/70/32/518267032.db2.gz	GNKHFLAZLJAOCH-AWEZNQCLSA-N	1	0	307.394	0.804	10	70		DCIERO
CCC[C@@H](C(=O)N1CCN(CC(=O)NC2CC2)CC1)[NH+](C)C	ZINC000161281384	291240945	/nfs/dbraw/zinc/24/09/45/291240945.db2.gz	DYNNAZIRNBMXSE-AWEZNQCLSA-N	1	0	310.442	0.140	10	70		DCIERO
CC1(C)CN(C(=O)C2([NH3+])Cc3ccccc3C2)CCS1(=O)=O	ZINC000161479144	281153993	/nfs/dbraw/zinc/15/39/93/281153993.db2.gz	FHRGTCKYPAAEIG-UHFFFAOYSA-N	1	0	322.430	0.518	10	70		DCIERO
O=C(NCCc1cscn1)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000159548572	291235433	/nfs/dbraw/zinc/23/54/33/291235433.db2.gz	VYXSQUXJHACGLP-CYBMUJFWSA-N	1	0	312.439	0.832	10	70		DCIERO
C[C@H](Oc1cccc(CO)c1)C(=O)N1CCO[C@H](C[NH+](C)C)C1	ZINC000160448313	158354680	/nfs/dbraw/zinc/35/46/80/158354680.db2.gz	CHQJPDUFRHHQGL-XJKSGUPXSA-N	1	0	322.405	0.735	10	70		DCIERO
O=C(NCC1CC[NH+](CCO)CC1)c1ccc2c(c1)OCO2	ZINC000160718978	158356439	/nfs/dbraw/zinc/35/64/39/158356439.db2.gz	KBFKLFUKLHRIMG-UHFFFAOYSA-N	1	0	306.362	0.849	10	70		DCIERO
CCc1noc(C)c1NC(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000160795896	416008818	/nfs/dbraw/zinc/00/88/18/416008818.db2.gz	PATHHHTUOMFQGP-LBPRGKRZSA-N	1	0	318.377	0.957	10	70		DCIERO
CCn1cnnc1[C@H]1CCC[N@H+](CCC(=O)NC(=O)NC)C1	ZINC000161413962	416012430	/nfs/dbraw/zinc/01/24/30/416012430.db2.gz	QAONOBPJVBMVMX-NSHDSACASA-N	1	0	308.386	0.323	10	70		DCIERO
C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160350939	237081699	/nfs/dbraw/zinc/08/16/99/237081699.db2.gz	VOBCPVBJDHMEOX-OLZOCXBDSA-N	1	0	313.442	0.500	10	70		DCIERO
CN(C(=O)CN1C(=O)NC(C)(C)C1=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000161471908	158356863	/nfs/dbraw/zinc/35/68/63/158356863.db2.gz	DNNTWVNUPXCTQI-ZACCUICWSA-N	1	0	308.382	0.058	10	70		DCIERO
O=C(N[C@H]1CCc2ncnn2C1)N1CC[NH+](CC2CC2)CC1	ZINC000161211585	416010778	/nfs/dbraw/zinc/01/07/78/416010778.db2.gz	FNQRBNJRADMAOI-ZDUSSCGKSA-N	1	0	304.398	0.330	10	70		DCIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cnn(C)c1	ZINC000160305058	158354981	/nfs/dbraw/zinc/35/49/81/158354981.db2.gz	MWGRSGKYPQGMKS-GFCCVEGCSA-N	1	0	300.428	0.819	10	70		DCIERO
COC[C@@H](O)CCNC(=O)c1ccccc1OCC[NH+](C)C	ZINC000161339027	522394326	/nfs/dbraw/zinc/39/43/26/522394326.db2.gz	LSSAWNWJRCUVCS-ZDUSSCGKSA-N	1	0	310.394	0.754	10	70		DCIERO
COc1cccc(CS(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c1	ZINC000161457366	533533939	/nfs/dbraw/zinc/53/39/39/533533939.db2.gz	ZAZUBFJJXPVHSJ-AWEZNQCLSA-N	1	0	316.423	0.427	10	70		DCIERO
COC[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1	ZINC000159426957	396068780	/nfs/dbraw/zinc/06/87/80/396068780.db2.gz	HTJAHNXJHJXLDT-GFCCVEGCSA-N	1	0	313.379	0.040	10	70		DCIERO
O=C(N[C@@H]1CCc2ncnn2C1)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000161128814	416010522	/nfs/dbraw/zinc/01/05/22/416010522.db2.gz	LOVIYHCCRPNTHE-CHWSQXEVSA-N	1	0	304.398	0.473	10	70		DCIERO
Cc1nn(C)c(C)c1OCC(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160282193	527653471	/nfs/dbraw/zinc/65/34/71/527653471.db2.gz	WHULNKRBIABGCI-AWEZNQCLSA-N	1	0	324.425	0.379	10	70		DCIERO
CCOC(=O)C1CCN(C(=O)C[N@H+](C)C[C@](C)(O)CC)CC1	ZINC000160832808	528632326	/nfs/dbraw/zinc/63/23/26/528632326.db2.gz	SBRPCLIQPTXEEX-MRXNPFEDSA-N	1	0	314.426	0.881	10	70		DCIERO
O=C(N[C@@H]1CCc2ncnn2C1)N1CC[NH+](CC2CC2)CC1	ZINC000161211460	416010935	/nfs/dbraw/zinc/01/09/35/416010935.db2.gz	FNQRBNJRADMAOI-CYBMUJFWSA-N	1	0	304.398	0.330	10	70		DCIERO
O=C(N[C@H]1CCc2ncnn2C1)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000161128940	416011795	/nfs/dbraw/zinc/01/17/95/416011795.db2.gz	LOVIYHCCRPNTHE-QWHCGFSZSA-N	1	0	304.398	0.473	10	70		DCIERO
Cn1nnc2cc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)ccc21	ZINC000160538879	527645046	/nfs/dbraw/zinc/64/50/46/527645046.db2.gz	LXICBCMZRLMENZ-ZDUSSCGKSA-N	1	0	317.393	0.545	10	70		DCIERO
COC[C@H](C)S(=O)(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000161448363	237094377	/nfs/dbraw/zinc/09/43/77/237094377.db2.gz	GRTMYXJHSBNOBS-OLZOCXBDSA-N	1	0	322.471	0.376	10	70		DCIERO
C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCN1C(=O)NC2(CCCC2)C1=O	ZINC000160532985	396074543	/nfs/dbraw/zinc/07/45/43/396074543.db2.gz	XIHHCNIWMORWJO-NEPJUHHUSA-N	1	0	322.409	0.437	10	70		DCIERO
CCOC(=O)CCC[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1	ZINC000160963691	416011923	/nfs/dbraw/zinc/01/19/23/416011923.db2.gz	HBEFQLGHCKNAPK-CQSZACIVSA-N	1	0	312.410	0.901	10	70		DCIERO
C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCN1C(=O)NC2(CCCC2)C1=O	ZINC000160533377	300035719	/nfs/dbraw/zinc/03/57/19/300035719.db2.gz	XIHHCNIWMORWJO-NWDGAFQWSA-N	1	0	322.409	0.437	10	70		DCIERO