smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH2+]=C(NC[C@@H]1CS(=O)(=O)CCO1)N[C@@H]1CCOc2ccccc21	ZINC000262672472	254509599	/nfs/dbraw/zinc/50/95/99/254509599.db2.gz	RTTBDCNVIDBDKK-DGCLKSJQSA-N	1	0	339.417	0.228	10	30		ECEERO
CCc1nc2n(n1)C[C@H](NC(NC[C@](C)(O)c1ccco1)=[NH+]C)CC2	ZINC000262816172	254511014	/nfs/dbraw/zinc/51/10/14/254511014.db2.gz	VVJZVSLZTPLLOI-PXAZEXFGSA-N	1	0	346.435	0.821	10	30		ECEERO
CC[C@@H](O)C[NH+]1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000118858385	221197499	/nfs/dbraw/zinc/19/74/99/221197499.db2.gz	GADWIOASCKPEJU-SJORKVTESA-N	1	0	333.432	0.686	10	30		ECEERO
C[NH+]=C(NCc1cccc(N(C)C)n1)N1CC[C@@H](N2CCOCC2)C1	ZINC000132300381	275408435	/nfs/dbraw/zinc/40/84/35/275408435.db2.gz	JCXWHRRJCPKAMW-MRXNPFEDSA-N	1	0	346.479	0.630	10	30		ECEERO
CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)C(=O)N(C)CCC#N)ncn1	ZINC000105797704	436577569	/nfs/dbraw/zinc/57/75/69/436577569.db2.gz	FCVBTFXCHPEAAO-KBPBESRZSA-N	1	0	345.451	0.837	10	30		ECEERO
C=CCNC(=O)[C@H](C)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000105845713	436581584	/nfs/dbraw/zinc/58/15/84/436581584.db2.gz	UWNZEMUKVVSHCI-DLBZAZTESA-N	1	0	338.496	0.404	10	30		ECEERO
C[NH+](C)C[C@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)CCO1	ZINC000116977932	436655943	/nfs/dbraw/zinc/65/59/43/436655943.db2.gz	NRCVFCPZYVLHKS-HNNXBMFYSA-N	1	0	330.388	0.077	10	30		ECEERO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1	ZINC000247209588	436789967	/nfs/dbraw/zinc/78/99/67/436789967.db2.gz	POJKAIQLCUOJBF-KBPBESRZSA-N	1	0	346.435	0.778	10	30		ECEERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCO[C@H](c3nncn3C)C2)C1	ZINC000328627145	437241884	/nfs/dbraw/zinc/24/18/84/437241884.db2.gz	MLGUJKRBPJCWDE-RDBSUJKOSA-N	1	0	336.440	0.831	10	30		ECEERO
CCc1nc2n(n1)C[C@H](NC(NCC(=O)N(C)C)=[NH+]C(C)C)CC2	ZINC000185515716	611025712	/nfs/dbraw/zinc/02/57/12/611025712.db2.gz	ZWBQBHGDXKHGHZ-GFCCVEGCSA-N	1	0	335.456	0.187	10	30		ECEERO
[NH2+]=C(NCCN1C(=O)NC2(CCCC2)C1=O)N1CCSCC1	ZINC000262509503	283260972	/nfs/dbraw/zinc/26/09/72/283260972.db2.gz	LYNBWQGGOILHGN-UHFFFAOYSA-N	1	0	325.438	0.215	10	30		ECEERO
C[NH+](C)CCO[C@@H]1CN(C(=O)c2ccc(C#N)cc2)[C@@H]2COC[C@@H]12	ZINC000503715059	257832786	/nfs/dbraw/zinc/83/27/86/257832786.db2.gz	CEBCLWCXNHXBLR-BRWVUGGUSA-N	1	0	329.400	0.976	10	30		ECEERO
CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000190356616	437622559	/nfs/dbraw/zinc/62/25/59/437622559.db2.gz	UYAGNLJCQUKZAC-ZIAGYGMSSA-N	1	0	344.419	0.820	10	30		ECEERO
C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000105802551	436577603	/nfs/dbraw/zinc/57/76/03/436577603.db2.gz	UNZUNMIPLDKBQX-CYBMUJFWSA-N	1	0	332.408	0.389	10	30		ECEERO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(F)c1	ZINC000135815350	436925739	/nfs/dbraw/zinc/92/57/39/436925739.db2.gz	ACJSRDVWLFUAHX-CYBMUJFWSA-N	1	0	348.378	0.599	10	30		ECEERO
N#C[C@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H]([NH3+])[C@@]12C[C@H]3C[C@@](O)(C1)C[C@](O)(C3)C2	ZINC000103572481	303171942	/nfs/dbraw/zinc/17/19/42/303171942.db2.gz	GAWUJFVQGSLSSZ-KWSKYRASSA-N	1	0	331.416	0.273	10	30	in-vitro	ECEERO
CNC(=O)C(C)(C)CNC(N[C@@H]1CCc2nnc(C(C)C)n2C1)=[NH+]C	ZINC000179205753	609103155	/nfs/dbraw/zinc/10/31/55/609103155.db2.gz	BNNSNUMIQHYTBU-GFCCVEGCSA-N	1	0	349.483	0.654	10	30		ECEERO
C[NH+]=C(NCC(=O)NCC(F)(F)F)N1CC[C@H](c2cnn(C)c2)C1	ZINC000175575185	609724289	/nfs/dbraw/zinc/72/42/89/609724289.db2.gz	CGRIHWZWQBNXOM-JTQLQIEISA-N	1	0	346.357	0.463	10	30		ECEERO
CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N+]12CCN(CC1)CC2	ZINC000029224214	717116844	/nfs/dbraw/zinc/11/68/44/717116844.db2.gz	BJXYXYPVBOYMPC-INIZCTEOSA-N	1	0	346.451	0.821	10	30		ECEERO
COc1cc2c(cc1OC)CN(C(=O)C[N+]13CCN(CC1)CC3)CC2	ZINC000029224138	717116926	/nfs/dbraw/zinc/11/69/26/717116926.db2.gz	OKMHGKLZHSJSDG-UHFFFAOYSA-N	1	0	346.451	0.735	10	30		ECEERO
C[C@@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@H]1C	ZINC000175960983	207176655	/nfs/dbraw/zinc/17/66/55/207176655.db2.gz	MIBDYJKIIPNSKR-ZIAGYGMSSA-N	1	0	344.415	0.202	10	30		ECEERO
CC[C@@H](O)C[NH+]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000118858388	221197692	/nfs/dbraw/zinc/19/76/92/221197692.db2.gz	GADWIOASCKPEJU-IAGOWNOFSA-N	1	0	333.432	0.686	10	30		ECEERO
CN1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@@H]1C#N	ZINC000329935813	277087868	/nfs/dbraw/zinc/08/78/68/277087868.db2.gz	RFNATCVGRSXKNO-BBWFWOEESA-N	1	0	349.479	0.808	10	30		ECEERO
C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000190105358	437615153	/nfs/dbraw/zinc/61/51/53/437615153.db2.gz	KVLGXEBJJADGLW-QWHCGFSZSA-N	1	0	330.392	0.430	10	30		ECEERO
C=CC[NH+]1CCC(NC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)CC1	ZINC000175513127	437108001	/nfs/dbraw/zinc/10/80/01/437108001.db2.gz	YTLZDYJSTYYBMS-CQSZACIVSA-N	1	0	334.424	0.846	10	30		ECEERO
C[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1ccc(S(N)(=O)=O)cc1	ZINC000181569256	437324655	/nfs/dbraw/zinc/32/46/55/437324655.db2.gz	CJWOIQNGMMKWML-LBPRGKRZSA-N	1	0	338.433	0.747	10	30		ECEERO
CCOC(=O)[C@@H]1CCCN(C(NC[C@@H]2CN(C)CCO2)=[NH+]C)C1	ZINC000119278632	589989887	/nfs/dbraw/zinc/98/98/87/589989887.db2.gz	SONGWKAQPQWILA-ZIAGYGMSSA-N	1	0	326.441	0.168	10	30		ECEERO
CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CC[C@H](CN2CCOCC2)C1	ZINC000086103061	608970366	/nfs/dbraw/zinc/97/03/66/608970366.db2.gz	ARJSPOYSAWWGBF-IKGGRYGDSA-N	1	0	338.496	0.767	10	30		ECEERO
CCc1nc2n(n1)C[C@H](NC(NCC(C)(C)C(=O)NC)=[NH+]C)CC2	ZINC000153925149	609936058	/nfs/dbraw/zinc/93/60/58/609936058.db2.gz	BMVZFVYYRWTPDL-LLVKDONJSA-N	1	0	335.456	0.093	10	30		ECEERO
CCc1nc2n(n1)C[C@H](NC(NCc1ccc(C(N)=O)o1)=[NH+]C)CC2	ZINC000151021568	610025045	/nfs/dbraw/zinc/02/50/45/610025045.db2.gz	FOEGZINDKYWXAJ-SNVBAGLBSA-N	1	0	345.407	0.212	10	30		ECEERO
CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCc2nc(C(C)C)nn2C1	ZINC000185515841	611025751	/nfs/dbraw/zinc/02/57/51/611025751.db2.gz	DEWWAUFMXWVQBV-CYBMUJFWSA-N	1	0	349.483	0.748	10	30		ECEERO
C=CCNC(=O)NC(=O)CN1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1	ZINC000195301281	436688600	/nfs/dbraw/zinc/68/86/00/436688600.db2.gz	LZLXPPZZNIFGLQ-INIZCTEOSA-N	1	0	345.447	0.847	10	30		ECEERO
Cc1cc(C)n(C[C@H]2C[N@H+](CCC(=O)N(C)CCC#N)CCO2)n1	ZINC000131526452	436853248	/nfs/dbraw/zinc/85/32/48/436853248.db2.gz	FDIMHVPLBZHWPJ-MRXNPFEDSA-N	1	0	333.436	0.963	10	30		ECEERO
CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1	ZINC000181302246	437314525	/nfs/dbraw/zinc/31/45/25/437314525.db2.gz	QZAYWOSDWNHZTA-KRWDZBQOSA-N	1	0	345.447	0.753	10	30		ECEERO
C=CCNC(=O)NC(=O)[C@H](C)N1CC[N@@H+](CCOCC)[C@@H](CC)C1	ZINC000105838200	545739359	/nfs/dbraw/zinc/73/93/59/545739359.db2.gz	VICNDHPPDYJPJM-GJZGRUSLSA-N	1	0	340.468	0.819	10	30		ECEERO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1	ZINC000177901795	608943506	/nfs/dbraw/zinc/94/35/06/608943506.db2.gz	VZGJFSWCQIIYBY-ZDUSSCGKSA-N	1	0	346.362	0.973	10	30		ECEERO
O=C(N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1)c1cccc(C#CCO)c1	ZINC000911418596	609865456	/nfs/dbraw/zinc/86/54/56/609865456.db2.gz	PWLJCPVURKBIOS-KSZLIROESA-N	1	0	328.412	0.748	10	30		ECEERO
C[NH+]=C(NCC1CCSCC1)NC1CCN(C(=O)COC)CC1	ZINC000262770687	254509905	/nfs/dbraw/zinc/50/99/05/254509905.db2.gz	IQOHMHZVHJTQFH-UHFFFAOYSA-N	1	0	342.509	0.932	10	30		ECEERO
CCc1nnc(N2CCC[C@@H](C(=O)NCC[NH3+])C2)c(C#N)c1CC	ZINC000261616999	276706797	/nfs/dbraw/zinc/70/67/97/276706797.db2.gz	FOUJGKIVPDQVDY-GFCCVEGCSA-N	1	0	330.436	0.764	10	30		ECEERO
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](Cn2nc(C)nc2C)C1	ZINC000105884632	436584186	/nfs/dbraw/zinc/58/41/86/436584186.db2.gz	DYBMAGYDBUGZQS-AWEZNQCLSA-N	1	0	334.424	0.619	10	30		ECEERO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)CC1	ZINC000125043532	436762191	/nfs/dbraw/zinc/76/21/91/436762191.db2.gz	WCLQQOGEMPSSKB-MRXNPFEDSA-N	1	0	327.432	0.907	10	30		ECEERO
C[C@@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H]1N1CCOCC1	ZINC000177274873	437176799	/nfs/dbraw/zinc/17/67/99/437176799.db2.gz	CUCZNUHKQIJPPR-CVEARBPZSA-N	1	0	333.436	0.295	10	30		ECEERO
C[NH+]=C(NCCn1cc(C)cn1)N[C@H]1CCCN(c2cnn(C)c2)C1	ZINC000131790357	590616762	/nfs/dbraw/zinc/61/67/62/590616762.db2.gz	AQRMCKWUPMPHHV-HNNXBMFYSA-N	1	0	344.467	0.759	10	30		ECEERO
COc1cc(NC(=O)C[N+]23CCN(CC2)CC3)cc(OC)c1OC	ZINC000022008567	717112897	/nfs/dbraw/zinc/11/28/97/717112897.db2.gz	DGRILUPHFQCMPA-UHFFFAOYSA-O	1	0	336.412	0.797	10	30		ECEERO
C=CCNC(=O)NC(=O)[C@@H](C)N1CC[N@H+](CCOC)[C@@H](CC)C1	ZINC000247221476	436789338	/nfs/dbraw/zinc/78/93/38/436789338.db2.gz	QNSNVVHVJNQEIE-KGLIPLIRSA-N	1	0	326.441	0.429	10	30		ECEERO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1	ZINC000184944011	437417348	/nfs/dbraw/zinc/41/73/48/437417348.db2.gz	LUBICZCCDYOJOX-AWEZNQCLSA-N	1	0	327.384	0.944	10	30		ECEERO
C[NH+]=C(NCC(=O)Nc1ccc(F)cc1)N1CCN(C(C)=O)CC1	ZINC000263258768	254512242	/nfs/dbraw/zinc/51/22/42/254512242.db2.gz	RSGHDPKIRGBFRH-UHFFFAOYSA-N	1	0	335.383	0.504	10	30		ECEERO
COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+]	ZINC000261666368	286192193	/nfs/dbraw/zinc/19/21/93/286192193.db2.gz	JUVUAXBIIGFFGQ-CHWSQXEVSA-N	1	0	339.417	0.694	10	30		ECEERO
COCC1(CNS(=O)(=O)c2ccc(F)c(C#N)c2)CC[NH2+]CC1	ZINC000261867780	165256184	/nfs/dbraw/zinc/25/61/84/165256184.db2.gz	KYPOGPWAWRERBO-UHFFFAOYSA-N	1	0	341.408	0.992	10	30		ECEERO
C#CCNC(=O)[C@H]1O[C@H](CC[N@@H+](C)CCc2ccccn2)CC[C@@H]1O	ZINC000030879209	436223924	/nfs/dbraw/zinc/22/39/24/436223924.db2.gz	QXOPIQJZGSIACS-BZSNNMDCSA-N	1	0	345.443	0.604	10	30		ECEERO
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC)C2)cc1	ZINC000194646558	436669660	/nfs/dbraw/zinc/66/96/60/436669660.db2.gz	GGAIXJVNPHWOIV-OAHLLOKOSA-N	1	0	349.456	0.812	10	30		ECEERO
C[NH+]=C(NCC(=O)NC1CCCCC1)NCc1nnc2ccccn21	ZINC000263247415	436957901	/nfs/dbraw/zinc/95/79/01/436957901.db2.gz	NMUZJHDHTNZLFE-UHFFFAOYSA-N	1	0	343.435	0.843	10	30		ECEERO
CN1CCO[C@H](CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000192969778	437698833	/nfs/dbraw/zinc/69/88/33/437698833.db2.gz	USOVWMRXLBNOCW-CYBMUJFWSA-N	1	0	347.419	0.500	10	30		ECEERO
CC[NH+]=C(NCCc1c(C)noc1C)N[C@H]1CCc2ncnn2C1	ZINC000131670089	590615244	/nfs/dbraw/zinc/61/52/44/590615244.db2.gz	HPEHLTDJFRPNSD-ZDUSSCGKSA-N	1	0	331.424	0.996	10	30		ECEERO
CN1CCO[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2C#N)C1	ZINC000156925405	436822453	/nfs/dbraw/zinc/82/24/53/436822453.db2.gz	PGCQKXHWNSJYHX-LBPRGKRZSA-N	1	0	329.809	0.821	10	30		ECEERO
CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1CCc2nc(CC)nn2C1	ZINC000152106888	609833948	/nfs/dbraw/zinc/83/39/48/609833948.db2.gz	FPTCFLXQJTZBQZ-MJBXVCDLSA-N	1	0	334.468	0.871	10	30		ECEERO
C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)N[C@H](C)C(C)C	ZINC000085711998	611318326	/nfs/dbraw/zinc/31/83/26/611318326.db2.gz	PIMMXLPCZICLSV-GFCCVEGCSA-N	1	0	336.527	0.575	10	30		ECEERO
[NH2+]=C(NCc1nnc2ccccn21)N1CCN(c2ncccn2)CC1	ZINC000263249469	254512299	/nfs/dbraw/zinc/51/22/99/254512299.db2.gz	OEUAUBUHXSIKKS-UHFFFAOYSA-N	1	0	337.391	0.156	10	30		ECEERO
CN1CCO[C@H](C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000245520139	165108082	/nfs/dbraw/zinc/10/80/82/165108082.db2.gz	JLIZAVPZNLUZMR-SJORKVTESA-N	1	0	328.416	0.974	10	30		ECEERO
CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000249226268	436816788	/nfs/dbraw/zinc/81/67/88/436816788.db2.gz	UYAGNLJCQUKZAC-KGLIPLIRSA-N	1	0	344.419	0.820	10	30		ECEERO
CN1CCO[C@H](C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000179989223	437278392	/nfs/dbraw/zinc/27/83/92/437278392.db2.gz	JLIZAVPZNLUZMR-IAGOWNOFSA-N	1	0	328.416	0.974	10	30		ECEERO
CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000181559748	437323646	/nfs/dbraw/zinc/32/36/46/437323646.db2.gz	XTTXEAIPEABFIE-LBPRGKRZSA-N	1	0	338.433	0.747	10	30		ECEERO
CC[S@@](=O)[C@@H]1CCC[C@H](NC(NC[C@@H]2CN(C)CCO2)=[NH+]C)C1	ZINC000155887200	608871873	/nfs/dbraw/zinc/87/18/73/608871873.db2.gz	BUJUPFVJLQRSNY-UMPGKWJCSA-N	1	0	344.525	0.562	10	30		ECEERO
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CCc2ncnn2C1	ZINC000151237842	609659537	/nfs/dbraw/zinc/65/95/37/609659537.db2.gz	IHHMELPALSNJPO-OSRDXIQISA-N	1	0	332.452	0.962	10	30		ECEERO
Cc1cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1C#N	ZINC000174632354	231261817	/nfs/dbraw/zinc/26/18/17/231261817.db2.gz	MUMPUMPAXFERRK-CQSZACIVSA-N	1	0	344.415	0.768	10	30		ECEERO
N#Cc1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCCCC2)c(F)c1	ZINC000135815315	223607464	/nfs/dbraw/zinc/60/74/64/223607464.db2.gz	ACJSRDVWLFUAHX-ZDUSSCGKSA-N	1	0	348.378	0.599	10	30		ECEERO
[NH2+]=C(NC[C@H]1CCCC(=O)N1)N1CCN(c2ccc(F)cc2)CC1	ZINC000262834986	254511367	/nfs/dbraw/zinc/51/13/67/254511367.db2.gz	QTALYRANWJDUNL-CQSZACIVSA-N	1	0	333.411	0.931	10	30		ECEERO
CO[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@H]1OC	ZINC000330193227	254629969	/nfs/dbraw/zinc/62/99/69/254629969.db2.gz	YKJQTSBSRBZVPN-QKPAOTATSA-N	1	0	341.452	0.624	10	30		ECEERO
CO[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)[C@@H](C[NH3+])C1	ZINC000262314313	165327652	/nfs/dbraw/zinc/32/76/52/165327652.db2.gz	QDMORUJQDNOWBG-VXGBXAGGSA-N	1	0	327.381	0.824	10	30		ECEERO
C=CCNC(=O)NC(=O)CN(C)C1CC[NH+](CCn2cccn2)CC1	ZINC000105862987	436581769	/nfs/dbraw/zinc/58/17/69/436581769.db2.gz	KQQXGDMJINSUIQ-UHFFFAOYSA-N	1	0	348.451	0.291	10	30		ECEERO
CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000125464943	436771822	/nfs/dbraw/zinc/77/18/22/436771822.db2.gz	NPJNTBMVPNRZNG-CYBMUJFWSA-N	1	0	332.408	0.678	10	30		ECEERO
C#CCNC(=O)c1ccc(N2CC[N@@H+](CCOCC)[C@@H](C)C2)nc1	ZINC000174735750	437086442	/nfs/dbraw/zinc/08/64/42/437086442.db2.gz	FNFSIFILCIYXCE-HNNXBMFYSA-N	1	0	330.432	0.992	10	30		ECEERO
CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@H]1CCc2nc(C(C)C)nn2C1	ZINC000185515855	611025845	/nfs/dbraw/zinc/02/58/45/611025845.db2.gz	DEWWAUFMXWVQBV-ZDUSSCGKSA-N	1	0	349.483	0.748	10	30		ECEERO
COCC[N@@H+]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H]1C	ZINC000247084692	165153820	/nfs/dbraw/zinc/15/38/20/165153820.db2.gz	HGFCCXINIQQXEN-DOTOQJQBSA-N	1	0	333.432	0.950	10	30		ECEERO
C[C@H](O)C[N@@H+]1CCN(C[C@H](O)COc2ccc(C#N)cc2)C[C@@H]1C	ZINC000247382888	165160845	/nfs/dbraw/zinc/16/08/45/165160845.db2.gz	WBFIWSARHPGKJJ-ZOBUZTSGSA-N	1	0	333.432	0.685	10	30		ECEERO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCCN(Cc2cnn(C)c2)CC1	ZINC000105869529	436583167	/nfs/dbraw/zinc/58/31/67/436583167.db2.gz	OQSKRNLXRGXFSK-HNNXBMFYSA-N	1	0	332.452	0.688	10	30		ECEERO
C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1	ZINC000170856878	436956444	/nfs/dbraw/zinc/95/64/44/436956444.db2.gz	SHPIDTLVYOXHPB-AWEZNQCLSA-N	1	0	335.429	0.374	10	30		ECEERO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1	ZINC000170860308	436957551	/nfs/dbraw/zinc/95/75/51/436957551.db2.gz	ITYBWSSIBPHDND-CQSZACIVSA-N	1	0	337.445	0.927	10	30		ECEERO
C[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1ccc(S(N)(=O)=O)cc1	ZINC000181569275	437323226	/nfs/dbraw/zinc/32/32/26/437323226.db2.gz	CJWOIQNGMMKWML-GFCCVEGCSA-N	1	0	338.433	0.747	10	30		ECEERO
O=C(C[N+]12CCN(CC1)CC2)Nc1ccc(N2CCOCC2)cc1	ZINC000007613180	717106018	/nfs/dbraw/zinc/10/60/18/717106018.db2.gz	GCYDGPFMELMXQL-UHFFFAOYSA-O	1	0	331.440	0.608	10	30		ECEERO
Cc1c(C(=O)NN2CCN(C)CC2)oc2c1C(=NNC(N)=[NH2+])CCC2	ZINC000040824728	213389476	/nfs/dbraw/zinc/38/94/76/213389476.db2.gz	ZHUMDJVIQVRXAG-YBFXNURJSA-N	1	0	347.423	0.004	10	30		ECEERO
C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000247084823	243371187	/nfs/dbraw/zinc/37/11/87/243371187.db2.gz	HXWAFANPSBAPKM-BBRMVZONSA-N	1	0	326.400	0.983	10	30		ECEERO
CCOc1ccnc(N2CC[NH+](CCC(=O)N(C)CCC#N)CC2)n1	ZINC000131520166	254498373	/nfs/dbraw/zinc/49/83/73/254498373.db2.gz	PUEHWUGIAJDQFU-UHFFFAOYSA-N	1	0	346.435	0.759	10	30		ECEERO
C[C@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@H]1C	ZINC000246872290	165145370	/nfs/dbraw/zinc/14/53/70/165145370.db2.gz	MIBDYJKIIPNSKR-KGLIPLIRSA-N	1	0	344.415	0.202	10	30		ECEERO
COCC[N@@H+]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)C[C@H]1C	ZINC000247086459	165153144	/nfs/dbraw/zinc/15/31/44/165153144.db2.gz	HGFCCXINIQQXEN-NVXWUHKLSA-N	1	0	333.432	0.950	10	30		ECEERO
C=CC[NH+]1CCC(NC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)CC1	ZINC000175766420	437114856	/nfs/dbraw/zinc/11/48/56/437114856.db2.gz	YYZZYMMTFFTMSI-RDJZCZTQSA-N	1	0	336.480	0.999	10	30		ECEERO
C#CCNC(=O)c1ccc(NC[C@@H](c2cnn(C)c2)[NH+](C)C)nc1	ZINC000301298177	437117172	/nfs/dbraw/zinc/11/71/72/437117172.db2.gz	STZIMIGVBVUGEL-HNNXBMFYSA-N	1	0	326.404	0.893	10	30		ECEERO
C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1	ZINC000163098740	609026140	/nfs/dbraw/zinc/02/61/40/609026140.db2.gz	KBVNYJGXYSDRLM-LBPRGKRZSA-N	1	0	334.351	0.829	10	30		ECEERO
CNC(=O)C(C)(C)CNC(N[C@H]1CCc2nc(C(C)C)nn2C1)=[NH+]C	ZINC000153933695	609936722	/nfs/dbraw/zinc/93/67/22/609936722.db2.gz	ZCTUCXXGAFVARM-LBPRGKRZSA-N	1	0	349.483	0.654	10	30		ECEERO
Cc1cc(C)c(NC(=O)CNC(=O)C[N+]23CCN(CC2)CC3)c(C)c1	ZINC000029221587	717116781	/nfs/dbraw/zinc/11/67/81/717116781.db2.gz	MUFMTWBINYXEOD-UHFFFAOYSA-O	1	0	345.467	0.813	10	30		ECEERO
N#Cc1ccc(OCCn2ccnc(N3CC[NH2+]CC3)c2=O)cc1	ZINC000038606889	213216793	/nfs/dbraw/zinc/21/67/93/213216793.db2.gz	NPOUWSCWNZKPSV-UHFFFAOYSA-N	1	0	325.372	0.604	10	30		ECEERO
C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)NC[C@](C)(O)c1ccco1	ZINC000262803577	254510878	/nfs/dbraw/zinc/51/08/78/254510878.db2.gz	RNRUKYVWPJGRAB-GUYCJALGSA-N	1	0	346.435	0.815	10	30		ECEERO
N#Cc1cccc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1	ZINC000041643032	436280916	/nfs/dbraw/zinc/28/09/16/436280916.db2.gz	LDBVDZGHYAVNNZ-HNNXBMFYSA-N	1	0	330.388	0.460	10	30		ECEERO
C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000113445113	436637967	/nfs/dbraw/zinc/63/79/67/436637967.db2.gz	HXWAFANPSBAPKM-XJKSGUPXSA-N	1	0	326.400	0.983	10	30		ECEERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccn(CCC#N)n2)C1	ZINC000150796994	436691385	/nfs/dbraw/zinc/69/13/85/436691385.db2.gz	VYLLNIDIPMLQBA-OLZOCXBDSA-N	1	0	332.408	0.580	10	30		ECEERO
C=CC[NH+]1CCC(NC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)CC1	ZINC000175766458	437115493	/nfs/dbraw/zinc/11/54/93/437115493.db2.gz	YYZZYMMTFFTMSI-DOTOQJQBSA-N	1	0	336.480	0.999	10	30		ECEERO
C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1	ZINC000163098612	609026266	/nfs/dbraw/zinc/02/62/66/609026266.db2.gz	KBVNYJGXYSDRLM-GFCCVEGCSA-N	1	0	334.351	0.829	10	30		ECEERO
Cn1c2ncn(CCC[NH+]=C3CCCCCN3C)c2c(=O)[nH]c1=O	ZINC000035126599	213009791	/nfs/dbraw/zinc/00/97/91/213009791.db2.gz	NPCMMSMQJZJHKQ-ATVHPVEESA-N	1	0	332.408	0.718	10	30		ECEERO
CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccn(CCC#N)n2)C1	ZINC000246549993	436782112	/nfs/dbraw/zinc/78/21/12/436782112.db2.gz	VYLLNIDIPMLQBA-QWHCGFSZSA-N	1	0	332.408	0.580	10	30		ECEERO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCO[C@@H](c2nncn2C)C1	ZINC000328621269	437241038	/nfs/dbraw/zinc/24/10/38/437241038.db2.gz	HRJHVGXFNLWTMJ-KWCYVHTRSA-N	1	0	334.424	0.585	10	30		ECEERO
CN(CCC#N)C(=O)CC[N@@H+]1CCCN(Cc2cnn(C)c2)CC1	ZINC000181563612	437324260	/nfs/dbraw/zinc/32/42/60/437324260.db2.gz	DGFBPAAISWFWFW-UHFFFAOYSA-N	1	0	332.452	0.690	10	30		ECEERO
c1csc(-c2nc(=[N+]3CCOCC3)nc(N3CCOCC3)o2)c1	ZINC000575628260	438752204	/nfs/dbraw/zinc/75/22/04/438752204.db2.gz	VHZNABJPDSXAGP-SEYXRHQNSA-N	1	0	335.409	0.017	10	30		ECEERO
C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N+]12CCN(CC1)CC2	ZINC000022308218	717113510	/nfs/dbraw/zinc/11/35/10/717113510.db2.gz	ZCLVVNAHXWAOKP-INIZCTEOSA-O	1	0	345.467	0.996	10	30		ECEERO
O=C(C[N+]12CCN(CC1)CC2)Nc1cccc(N2CCCC2=O)c1	ZINC000029225155	717117303	/nfs/dbraw/zinc/11/73/03/717117303.db2.gz	JHPXUCQKOYSQFE-UHFFFAOYSA-O	1	0	329.424	0.898	10	30		ECEERO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1	ZINC000041642939	436280659	/nfs/dbraw/zinc/28/06/59/436280659.db2.gz	WZTVMSXWHWKSQD-OAHLLOKOSA-N	1	0	330.388	0.460	10	30		ECEERO
C=CCNC(=O)NC(=O)[C@@H](C)N1CC[N@@H+](CCOCC)[C@H](CC)C1	ZINC000247376174	436793504	/nfs/dbraw/zinc/79/35/04/436793504.db2.gz	VICNDHPPDYJPJM-HUUCEWRRSA-N	1	0	340.468	0.819	10	30		ECEERO
CN1CCO[C@H](CNS(=O)(=O)c2cccc(Cl)c2C#N)C1	ZINC000156925567	436822317	/nfs/dbraw/zinc/82/23/17/436822317.db2.gz	QJHHFPMQPXQZQC-SNVBAGLBSA-N	1	0	329.809	0.821	10	30		ECEERO
C[NH+](C)C[C@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CCO1	ZINC000175978397	437126079	/nfs/dbraw/zinc/12/60/79/437126079.db2.gz	ZGFMQCRCYVJYHY-INIZCTEOSA-N	1	0	332.404	0.909	10	30		ECEERO
CN1CCO[C@@H](CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000192969789	437696844	/nfs/dbraw/zinc/69/68/44/437696844.db2.gz	USOVWMRXLBNOCW-ZDUSSCGKSA-N	1	0	347.419	0.500	10	30		ECEERO
Cc1cccc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1C#N	ZINC000174632342	231262377	/nfs/dbraw/zinc/26/23/77/231262377.db2.gz	MUMPUMPAXFERRK-AWEZNQCLSA-N	1	0	344.415	0.768	10	30		ECEERO
C[NH+](C)C[C@@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)CCO1	ZINC000116977931	221017886	/nfs/dbraw/zinc/01/78/86/221017886.db2.gz	NRCVFCPZYVLHKS-OAHLLOKOSA-N	1	0	330.388	0.077	10	30		ECEERO
C[C@@H](NC(N)=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000192945217	165050082	/nfs/dbraw/zinc/05/00/82/165050082.db2.gz	LRZOMJOMIYLOEK-CYBMUJFWSA-N	1	0	329.404	0.649	10	30		ECEERO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1	ZINC000105884435	436585548	/nfs/dbraw/zinc/58/55/48/436585548.db2.gz	UOSAZWKEIAXLRX-HNNXBMFYSA-N	1	0	329.408	0.646	10	30		ECEERO
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[N@@H+](CC)C2)c1	ZINC000194644854	436669487	/nfs/dbraw/zinc/66/94/87/436669487.db2.gz	WOWZVXQDHDVOHT-HNNXBMFYSA-N	1	0	349.456	0.812	10	30		ECEERO
CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000125465181	436771563	/nfs/dbraw/zinc/77/15/63/436771563.db2.gz	NPJNTBMVPNRZNG-ZDUSSCGKSA-N	1	0	332.408	0.678	10	30		ECEERO
CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)NC1CCOCC1	ZINC000162770574	436912669	/nfs/dbraw/zinc/91/26/69/436912669.db2.gz	OLYXVSMYAJKMKJ-UHFFFAOYSA-N	1	0	346.497	0.392	10	30		ECEERO
C#CCCCNC(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000173326684	437044261	/nfs/dbraw/zinc/04/42/61/437044261.db2.gz	ROTUBFNMNNXCCH-KRWDZBQOSA-N	1	0	336.480	0.836	10	30		ECEERO
N#CC1(c2ccc(C(=O)NC[C@@H](O)CN3CCOCC3)cc2)CC1	ZINC000179844479	437275236	/nfs/dbraw/zinc/27/52/36/437275236.db2.gz	AMMNEUWHMSBBNF-MRXNPFEDSA-N	1	0	329.400	0.665	10	30		ECEERO
C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C[NH3+])ccc1F	ZINC000160139162	611470799	/nfs/dbraw/zinc/47/07/99/611470799.db2.gz	OLQWXGVFMQLMQU-LBPRGKRZSA-N	1	0	341.408	0.853	10	30		ECEERO
CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCc2nnc(C(C)C)n2C1	ZINC000185512552	610999364	/nfs/dbraw/zinc/99/93/64/610999364.db2.gz	YCDJUSFYXUGZBJ-CYBMUJFWSA-N	1	0	349.483	0.748	10	30		ECEERO
C[C@@H](C(=O)NC(=O)NCCc1cccs1)[N+]12CCN(CC1)CC2	ZINC000029225394	717117323	/nfs/dbraw/zinc/11/73/23/717117323.db2.gz	URUQYLUFSDAGLG-ZDUSSCGKSA-O	1	0	337.469	0.651	10	30		ECEERO
Cc1c(C(=O)N2CCN(C)CC2)oc2c1C(=NNC(N)=[NH2+])CCC2	ZINC000040824850	213390662	/nfs/dbraw/zinc/39/06/62/213390662.db2.gz	MBNFVBOENIFUKN-YBFXNURJSA-N	1	0	332.408	0.499	10	30		ECEERO
C[NH+]=C(NCC(=O)NC(C)C)N[C@H]1CCc2nnc(C(C)C)n2C1	ZINC000262793969	254510686	/nfs/dbraw/zinc/51/06/86/254510686.db2.gz	OWJACOGHPLTXTC-LBPRGKRZSA-N	1	0	335.456	0.406	10	30		ECEERO
C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000249169194	436817356	/nfs/dbraw/zinc/81/73/56/436817356.db2.gz	KVLGXEBJJADGLW-OLZOCXBDSA-N	1	0	330.392	0.430	10	30		ECEERO
C[NH+](C)[C@@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000170865808	436959236	/nfs/dbraw/zinc/95/92/36/436959236.db2.gz	SQWGRPZNRMTVBN-OAHLLOKOSA-N	1	0	335.429	0.636	10	30		ECEERO
CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)CC1	ZINC000329718293	437404951	/nfs/dbraw/zinc/40/49/51/437404951.db2.gz	YNUKFTYZRDNRGG-QLFBSQMISA-N	1	0	340.468	0.605	10	30		ECEERO
COCC[N@@H+]1CCN(C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1C	ZINC000105833142	545740365	/nfs/dbraw/zinc/74/03/65/545740365.db2.gz	HGFCCXINIQQXEN-WBVHZDCISA-N	1	0	333.432	0.950	10	30		ECEERO
C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)N[C@@H](C)C(C)C	ZINC000085712000	612140669	/nfs/dbraw/zinc/14/06/69/612140669.db2.gz	PIMMXLPCZICLSV-LBPRGKRZSA-N	1	0	336.527	0.575	10	30		ECEERO
C[C@H](C(=O)NC(=O)NCCc1cccs1)[N+]12CCN(CC1)CC2	ZINC000029225400	717117532	/nfs/dbraw/zinc/11/75/32/717117532.db2.gz	URUQYLUFSDAGLG-CYBMUJFWSA-O	1	0	337.469	0.651	10	30		ECEERO
Cc1nnnn1-c1ccc(F)c(NC(=O)C[N+]23CCN(CC2)CC3)c1	ZINC000155261367	717154433	/nfs/dbraw/zinc/15/44/33/717154433.db2.gz	OMXUMLSRNLLKDZ-UHFFFAOYSA-O	1	0	346.390	0.194	10	30		ECEERO
CN1CCN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C[C@H]1C#N	ZINC000333479717	277091527	/nfs/dbraw/zinc/09/15/27/277091527.db2.gz	FKXOINIYRBYLEW-PKSOCPPESA-N	1	0	331.464	0.989	10	30		ECEERO
N#Cc1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1	ZINC000041642938	436280432	/nfs/dbraw/zinc/28/04/32/436280432.db2.gz	WZTVMSXWHWKSQD-HNNXBMFYSA-N	1	0	330.388	0.460	10	30		ECEERO
C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)CC2(C#N)CC2)CC1	ZINC000165550528	436936293	/nfs/dbraw/zinc/93/62/93/436936293.db2.gz	OBHGXKGXMIBZRM-CYBMUJFWSA-N	1	0	329.466	0.645	10	30		ECEERO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1	ZINC000178517496	437218280	/nfs/dbraw/zinc/21/82/80/437218280.db2.gz	PHZHNFGLZDVZOK-AWEZNQCLSA-N	1	0	330.388	0.594	10	30		ECEERO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCO[C@H](c2nncn2C)C1	ZINC000328621270	437241499	/nfs/dbraw/zinc/24/14/99/437241499.db2.gz	HRJHVGXFNLWTMJ-XBFCOCLRSA-N	1	0	334.424	0.585	10	30		ECEERO
C[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1	ZINC000262784712	277752116	/nfs/dbraw/zinc/75/21/16/277752116.db2.gz	LZSMIJWCKOZYNG-AXFHLTTASA-N	1	0	338.374	0.722	10	30		ECEERO
Cn1c2ncn(CC/[NH+]=C3\CCCCCN3C)c2c(=O)n(C)c1=O	ZINC000000090157	279323087	/nfs/dbraw/zinc/32/30/87/279323087.db2.gz	UHFALZIVWOPQHL-SFQUDFHCSA-N	1	0	332.408	0.338	10	30		ECEERO
C=CCNC(=O)NC(=O)[C@H](C)N1CC[N@H+](CCOC)[C@@H](CC)C1	ZINC000105836818	545740215	/nfs/dbraw/zinc/74/02/15/545740215.db2.gz	QNSNVVHVJNQEIE-KBPBESRZSA-N	1	0	326.441	0.429	10	30		ECEERO
C[NH+]=C(NCc1nccn1CC(C)C)N[C@@H]1CCc2ncnn2C1	ZINC000128554922	590413927	/nfs/dbraw/zinc/41/39/27/590413927.db2.gz	SRTOFXGZDMPMGV-CYBMUJFWSA-N	1	0	330.440	0.811	10	30		ECEERO
CC[NH+]=C(NCCc1c(C)noc1C)N[C@@H]1CCc2ncnn2C1	ZINC000131669901	590615201	/nfs/dbraw/zinc/61/52/01/590615201.db2.gz	HPEHLTDJFRPNSD-CYBMUJFWSA-N	1	0	331.424	0.996	10	30		ECEERO
CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000249226262	436817070	/nfs/dbraw/zinc/81/70/70/436817070.db2.gz	UYAGNLJCQUKZAC-KBPBESRZSA-N	1	0	344.419	0.820	10	30		ECEERO
C[NH+]=C(NCC1(SC)CCOCC1)N[C@@H]1CCc2ncnn2C1	ZINC000130588515	590599316	/nfs/dbraw/zinc/59/93/16/590599316.db2.gz	YBBYJFAYMFBUQB-GFCCVEGCSA-N	1	0	338.481	0.670	10	30		ECEERO
CNC(=O)C(C)(C)CNC(N[C@H]1CCc2nnc(C(C)C)n2C1)=[NH+]C	ZINC000179205769	609103039	/nfs/dbraw/zinc/10/30/39/609103039.db2.gz	BNNSNUMIQHYTBU-LBPRGKRZSA-N	1	0	349.483	0.654	10	30		ECEERO
C[NH+]=C(NCc1ccnc(C)n1)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000153297482	609895054	/nfs/dbraw/zinc/89/50/54/609895054.db2.gz	KHBAGGVPOYGEFU-HNNXBMFYSA-N	1	0	329.408	0.667	10	30		ECEERO
C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CCN(C2CC2)C(=O)C1	ZINC000262766376	254510132	/nfs/dbraw/zinc/51/01/32/254510132.db2.gz	HKGFQWKOGJMSJE-ZDUSSCGKSA-N	1	0	345.451	0.031	10	30		ECEERO
COC[C@@]1(CNS(=O)(=O)c2ccc(F)c(C#N)c2)CCC[NH2+]1	ZINC000262531364	165358764	/nfs/dbraw/zinc/35/87/64/165358764.db2.gz	PRJIEOCFAAJWSE-AWEZNQCLSA-N	1	0	327.381	0.744	10	30		ECEERO
CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)C(=O)N(C)CCC#N)ncn1	ZINC000105797707	436578624	/nfs/dbraw/zinc/57/86/24/436578624.db2.gz	FCVBTFXCHPEAAO-KGLIPLIRSA-N	1	0	345.451	0.837	10	30		ECEERO
C=CCCS(=O)(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000120701252	436696749	/nfs/dbraw/zinc/69/67/49/436696749.db2.gz	JRMBHTYSMMZWBD-MRXNPFEDSA-N	1	0	345.509	0.619	10	30		ECEERO
N#Cc1ccnc(N2CCN(C(=O)C3(C[NH3+])CCOCC3)CC2)c1	ZINC000261910125	436896590	/nfs/dbraw/zinc/89/65/90/436896590.db2.gz	IYFWHKIRODYZMI-UHFFFAOYSA-N	1	0	329.404	0.357	10	30		ECEERO
CCc1nc2n(n1)C[C@H](NC(NCCn1cc(C)cn1)=[NH+]C)CC2	ZINC000131705031	590615003	/nfs/dbraw/zinc/61/50/03/590615003.db2.gz	RPUYSSTXJYQGEQ-CYBMUJFWSA-N	1	0	330.440	0.525	10	30		ECEERO
CN1CCCC/C1=[NH+]/CCCn1cnc2c1c(=O)n(C)c(=O)n2C	ZINC000102747971	219227161	/nfs/dbraw/zinc/22/71/61/219227161.db2.gz	YVSKWVPVDWXZLI-ATVHPVEESA-N	1	0	332.408	0.338	10	30		ECEERO
C[NH+]=C(NCC(=O)N1CCCC1)N1CC[C@H](C(=O)OC(C)(C)C)C1	ZINC000179095138	254506904	/nfs/dbraw/zinc/50/69/04/254506904.db2.gz	KDELXQCCMHYOCX-ZDUSSCGKSA-N	1	0	338.452	0.848	10	30		ECEERO
C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)C[C@H]1C	ZINC000247382822	165160057	/nfs/dbraw/zinc/16/00/57/165160057.db2.gz	WBFIWSARHPGKJJ-HLLBOEOZSA-N	1	0	333.432	0.685	10	30		ECEERO
N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H]([NH3+])C12CC3C[C@@](O)(C1)C[C@](O)(C3)C2	ZINC000013648759	436066172	/nfs/dbraw/zinc/06/61/72/436066172.db2.gz	GAWUJFVQGSLSSZ-ZRDSGBHLSA-N	1	0	331.416	0.273	10	30		ECEERO
CN(C1CC[NH+](CCn2cccn2)CC1)S(=O)(=O)CCCC#N	ZINC000111342497	436630430	/nfs/dbraw/zinc/63/04/30/436630430.db2.gz	MJWFKIXLKSUERJ-UHFFFAOYSA-N	1	0	339.465	0.913	10	30		ECEERO
C#CCOCCC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1	ZINC000151893955	436714768	/nfs/dbraw/zinc/71/47/68/436714768.db2.gz	UTEBIQLZPIRGTA-UHFFFAOYSA-N	1	0	330.432	0.832	10	30		ECEERO
C#CCNC(=O)c1ccc(N2CC[N@H+](CCOC)[C@H](CC)C2)nc1	ZINC000174736758	437088202	/nfs/dbraw/zinc/08/82/02/437088202.db2.gz	BSOJAZOWMBBRSB-MRXNPFEDSA-N	1	0	330.432	0.992	10	30		ECEERO
C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)CC1	ZINC000175766401	437115384	/nfs/dbraw/zinc/11/53/84/437115384.db2.gz	YYZZYMMTFFTMSI-WBVHZDCISA-N	1	0	336.480	0.999	10	30		ECEERO
C#CCNC(=O)[C@@H](C)[NH+]1CCC(N(C)CC(=O)OC(C)(C)C)CC1	ZINC000191981957	437658754	/nfs/dbraw/zinc/65/87/54/437658754.db2.gz	LBVFZKJIBRPVBA-CQSZACIVSA-N	1	0	337.464	0.862	10	30		ECEERO
C=C1C/C(=C\C)C(=O)O[C@@H]2CC[N@H+]3CC=C(COC(=O)[C@@]1(O)CO)[C@H]23	ZINC000085532047	560073085	/nfs/dbraw/zinc/07/30/85/560073085.db2.gz	SVCNNZDUGWLODJ-LCKOXJJCSA-N	1	0	349.383	0.085	10	30	biogenic,in-vitro	ECEERO
C[NH+]=C(NCC(=O)NCC(F)(F)F)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000175575205	609724539	/nfs/dbraw/zinc/72/45/39/609724539.db2.gz	CGRIHWZWQBNXOM-SNVBAGLBSA-N	1	0	346.357	0.463	10	30		ECEERO
CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCN(C[C@H]2CCOC2)CC1	ZINC000245685936	612713135	/nfs/dbraw/zinc/71/31/35/612713135.db2.gz	IKMOBVOCVUQNQK-SJORKVTESA-N	1	0	337.512	0.700	10	30		ECEERO
C[NH+]=C(NCC(=O)N1CCCC1)N1CCN([C@H](C)C(F)(F)F)CC1	ZINC000132379277	254498887	/nfs/dbraw/zinc/49/88/87/254498887.db2.gz	QCPDUPRYTPNQDD-GFCCVEGCSA-N	1	0	349.401	0.753	10	30		ECEERO
C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CCO1	ZINC000116900973	221009511	/nfs/dbraw/zinc/00/95/11/221009511.db2.gz	ADYYTUNHJCUYGV-GFCCVEGCSA-N	1	0	327.381	0.648	10	30		ECEERO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1	ZINC000170843419	436957236	/nfs/dbraw/zinc/95/72/36/436957236.db2.gz	NLEDFKLAZJYQPR-OAHLLOKOSA-N	1	0	344.415	0.703	10	30		ECEERO
CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000181559766	437324041	/nfs/dbraw/zinc/32/40/41/437324041.db2.gz	XTTXEAIPEABFIE-GFCCVEGCSA-N	1	0	338.433	0.747	10	30		ECEERO
CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)CC1	ZINC000329718294	437405831	/nfs/dbraw/zinc/40/58/31/437405831.db2.gz	YNUKFTYZRDNRGG-SOUVJXGZSA-N	1	0	340.468	0.605	10	30		ECEERO
C=CCNC(=O)NC(=O)[C@H](C)N1CC[N@H+](CCOC)[C@H](CC)C1	ZINC000105836816	545738784	/nfs/dbraw/zinc/73/87/84/545738784.db2.gz	QNSNVVHVJNQEIE-UONOGXRCSA-N	1	0	326.441	0.429	10	30		ECEERO
C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000247084839	243370003	/nfs/dbraw/zinc/37/00/03/243370003.db2.gz	HXWAFANPSBAPKM-CJNGLKHVSA-N	1	0	326.400	0.983	10	30		ECEERO
C[NH+]=C(NCCN1C(=O)NC2(CCCC2)C1=O)NCc1ccco1	ZINC000262562478	254508756	/nfs/dbraw/zinc/50/87/56/254508756.db2.gz	WUHVKKCIBVSTOV-UHFFFAOYSA-N	1	0	333.392	0.809	10	30		ECEERO
N#Cc1ccc(C(=O)NCC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1	ZINC000155396374	436794587	/nfs/dbraw/zinc/79/45/87/436794587.db2.gz	IXAPOYNQZOEHPM-INIZCTEOSA-N	1	0	344.415	0.251	10	30		ECEERO
C=CCNC(=O)NC(=O)[C@H](C)N1CC[N@@H+](CCOCC)[C@H](CC)C1	ZINC000105838198	545739094	/nfs/dbraw/zinc/73/90/94/545739094.db2.gz	VICNDHPPDYJPJM-LSDHHAIUSA-N	1	0	340.468	0.819	10	30		ECEERO
N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CC[NH2+]C2)c1	ZINC000123131432	222220913	/nfs/dbraw/zinc/22/09/13/222220913.db2.gz	IJGORUXGTKRWQP-SNVBAGLBSA-N	1	0	330.207	0.961	10	30		ECEERO
C#CC[NH+]1CCC(C(=O)N2CCO[C@H](c3n[nH]c(CC)n3)C2)CC1	ZINC000173607819	437058170	/nfs/dbraw/zinc/05/81/70/437058170.db2.gz	XPIHHJQNPRBLTC-AWEZNQCLSA-N	1	0	331.420	0.612	10	30		ECEERO
C[NH+](C)C[C@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CCO1	ZINC000125502346	222570362	/nfs/dbraw/zinc/57/03/62/222570362.db2.gz	BGDLRCVQAGVIFM-NSHDSACASA-N	1	0	345.371	0.788	10	30		ECEERO
CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000124087683	436745547	/nfs/dbraw/zinc/74/55/47/436745547.db2.gz	ZYVIOQKXJVYDHY-ZDUSSCGKSA-N	1	0	334.424	0.828	10	30		ECEERO
C=CCNC(=O)NC(=O)[C@@H](C)N1CC[N@H+](CCOC)[C@H](CC)C1	ZINC000247221492	436789875	/nfs/dbraw/zinc/78/98/75/436789875.db2.gz	QNSNVVHVJNQEIE-ZIAGYGMSSA-N	1	0	326.441	0.429	10	30		ECEERO
C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCO[C@@H](c2nncn2C)C1	ZINC000328627722	437242584	/nfs/dbraw/zinc/24/25/84/437242584.db2.gz	MZRMNZKQYGIOBN-ZIAGYGMSSA-N	1	0	336.440	0.977	10	30		ECEERO
CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@@H](C)C#N)CC2)C1	ZINC000182856125	437364768	/nfs/dbraw/zinc/36/47/68/437364768.db2.gz	KETXBJYAAHXWDE-JKSUJKDBSA-N	1	0	337.468	0.582	10	30		ECEERO
C=CCNC(=O)NC(=O)CN1CC[N@@H+](CCOCC)[C@H](CC)C1	ZINC000105837506	545740522	/nfs/dbraw/zinc/74/05/22/545740522.db2.gz	FJXXKOAAUYHSMY-CQSZACIVSA-N	1	0	326.441	0.431	10	30		ECEERO
CCOC(=O)[C@@H]1CCCN(C(NC[C@H]2CN(C)CCO2)=[NH+]C)C1	ZINC000119278764	589989829	/nfs/dbraw/zinc/98/98/29/589989829.db2.gz	SONGWKAQPQWILA-KGLIPLIRSA-N	1	0	326.441	0.168	10	30		ECEERO
C[NH+](C)[C@@H]1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000170842566	609724536	/nfs/dbraw/zinc/72/45/36/609724536.db2.gz	GDMYLBNLRVDTQP-MRXNPFEDSA-N	1	0	341.415	0.916	10	30		ECEERO
C[NH+]=C(NC[C@H](O)c1ccc(Cl)s1)N[C@@H]1CCC(=O)NC1	ZINC000262760986	254509661	/nfs/dbraw/zinc/50/96/61/254509661.db2.gz	DGQRHKLMLMUROB-BDAKNGLRSA-N	1	0	330.841	0.879	10	30		ECEERO
CO[C@H]1C[C@@H](CN(C)CC(=O)NCc2ccc(C#N)cc2)[N@H+](C)C1	ZINC000284804532	264239874	/nfs/dbraw/zinc/23/98/74/264239874.db2.gz	KUSIHUBHZARGDK-IRXDYDNUSA-N	1	0	330.432	0.825	10	30		ECEERO
N/[NH+]=C/c1ccc(N2CCN(C3CC[NH+](CC(=O)[O-])CC3)CC2)cc1	ZINC000090612453	436435123	/nfs/dbraw/zinc/43/51/23/436435123.db2.gz	PWIBJZBXBPVCAM-DEDYPNTBSA-N	1	0	345.447	0.650	10	30		ECEERO
Cc1noc([C@@H](C)N2CC[NH+](CCC(=O)N(C)CCC#N)CC2)n1	ZINC000131514413	436852636	/nfs/dbraw/zinc/85/26/36/436852636.db2.gz	CGJAPRKMCWEIKG-CYBMUJFWSA-N	1	0	334.424	0.819	10	30		ECEERO
C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCO[C@H](c2nncn2C)C1	ZINC000328627721	437241550	/nfs/dbraw/zinc/24/15/50/437241550.db2.gz	MZRMNZKQYGIOBN-KGLIPLIRSA-N	1	0	336.440	0.977	10	30		ECEERO
CCc1nc2n(n1)C[C@@H](NC(NCc1ccc(C(N)=O)o1)=[NH+]C)CC2	ZINC000151021616	610024928	/nfs/dbraw/zinc/02/49/28/610024928.db2.gz	FOEGZINDKYWXAJ-JTQLQIEISA-N	1	0	345.407	0.212	10	30		ECEERO
COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+]	ZINC000261666373	286192212	/nfs/dbraw/zinc/19/22/12/286192212.db2.gz	JUVUAXBIIGFFGQ-OLZOCXBDSA-N	1	0	339.417	0.694	10	30		ECEERO
CCOC(=O)[C@H](C1=N/C(=C\C(=O)OC)C(=O)S1)[n+]1ccccc1	ZINC000096505697	436533861	/nfs/dbraw/zinc/53/38/61/436533861.db2.gz	JWBJYYNEWNIRAG-PRDAAYKISA-N	1	0	335.361	0.807	10	30		ECEERO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000060607948	436634460	/nfs/dbraw/zinc/63/44/60/436634460.db2.gz	DNWQWEZFCIBLBA-HNNXBMFYSA-N	1	0	344.415	0.768	10	30		ECEERO
C=CCn1nnn(CN2CC[N@H+](CCOC)[C@@H](CC)C2)c1=S	ZINC000117324704	589755403	/nfs/dbraw/zinc/75/54/03/589755403.db2.gz	NJFPISOHBUQTDO-ZDUSSCGKSA-N	1	0	326.470	0.995	10	30		ECEERO
CC[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@H]1CCc2nc(C)nn2C1	ZINC000262816379	254511457	/nfs/dbraw/zinc/51/14/57/254511457.db2.gz	WTVIFQISZCKXLE-UWVGGRQHSA-N	1	0	334.346	0.380	10	30		ECEERO
CN1CCO[C@@H](C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000245520138	165106656	/nfs/dbraw/zinc/10/66/56/165106656.db2.gz	JLIZAVPZNLUZMR-IRXDYDNUSA-N	1	0	328.416	0.974	10	30		ECEERO
C[NH+]=C(NC[C@](C)(O)c1cnn(C)c1)NC[C@]1(C)CCCC[C@H]1O	ZINC000262810503	275733724	/nfs/dbraw/zinc/73/37/24/275733724.db2.gz	VBSVPMPUZLRKBQ-PVAVHDDUSA-N	1	0	337.468	0.734	10	30		ECEERO
C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000195324694	436687288	/nfs/dbraw/zinc/68/72/88/436687288.db2.gz	TZWNRQDYJKCBQM-HNNXBMFYSA-N	1	0	347.440	0.518	10	30		ECEERO
C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CCO1	ZINC000116900975	221009034	/nfs/dbraw/zinc/00/90/34/221009034.db2.gz	ADYYTUNHJCUYGV-LBPRGKRZSA-N	1	0	327.381	0.648	10	30		ECEERO
C[C@H](O)C[N@@H+]1CCN(C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1C	ZINC000247382840	165160475	/nfs/dbraw/zinc/16/04/75/165160475.db2.gz	WBFIWSARHPGKJJ-VYDXJSESSA-N	1	0	333.432	0.685	10	30		ECEERO
CN(CC(=O)N1CC[NH2+]CC1)c1nc(C(F)(F)F)ccc1C#N	ZINC000261708460	165231431	/nfs/dbraw/zinc/23/14/31/165231431.db2.gz	KQZVWDYKHQOYJV-UHFFFAOYSA-N	1	0	327.310	0.840	10	30		ECEERO
C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000195324687	436688767	/nfs/dbraw/zinc/68/87/67/436688767.db2.gz	TZWNRQDYJKCBQM-OAHLLOKOSA-N	1	0	347.440	0.518	10	30		ECEERO
COCCN1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)C[C@H]1C	ZINC000119522741	436667965	/nfs/dbraw/zinc/66/79/65/436667965.db2.gz	GESPMDBCMNDXBO-CQSZACIVSA-N	1	0	330.384	0.946	10	30		ECEERO
CC[NH+]=C(NCc1nnc2ccccn21)NCc1nnc2n1CCC2	ZINC000263245886	436957840	/nfs/dbraw/zinc/95/78/40/436957840.db2.gz	MVHXMUZVQAPOOS-UHFFFAOYSA-N	1	0	339.407	0.522	10	30		ECEERO
C[NH+]=C(NCc1nnc2ccccn21)NCc1nnc2n1CCCC2	ZINC000263229126	436957955	/nfs/dbraw/zinc/95/79/55/436957955.db2.gz	HNRVGTLSQFOOHB-UHFFFAOYSA-N	1	0	339.407	0.522	10	30		ECEERO
N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000175948305	437125057	/nfs/dbraw/zinc/12/50/57/437125057.db2.gz	OOJLBDVUPSMUPF-AWEZNQCLSA-N	1	0	348.378	0.599	10	30		ECEERO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1	ZINC000177676752	437194312	/nfs/dbraw/zinc/19/43/12/437194312.db2.gz	BLGQQDKOHUSWEL-AWEZNQCLSA-N	1	0	330.388	0.594	10	30		ECEERO
COc1ccc(N2CCN(C(=O)C[N+]34CCN(CC3)CC4)CC2)cc1	ZINC000029221067	717116908	/nfs/dbraw/zinc/11/69/08/717116908.db2.gz	CUIDDPRVDADAOK-UHFFFAOYSA-N	1	0	345.467	0.490	10	30		ECEERO
C[NH+]=C(NC[C@@H](C)N1CCOCC1)NC[C@@H]1CCc2nnc(C)n2C1	ZINC000262506505	275733278	/nfs/dbraw/zinc/73/32/78/275733278.db2.gz	ZOGDEZIAYLFNGM-HIFRSBDPSA-N	1	0	349.483	0.035	10	30		ECEERO
C=CCNC(=O)NC(=O)CN1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1	ZINC000195301294	436688483	/nfs/dbraw/zinc/68/84/83/436688483.db2.gz	LZLXPPZZNIFGLQ-MRXNPFEDSA-N	1	0	345.447	0.847	10	30		ECEERO
C#CCOC(=O)c1cc(-n2cnnc2)ccc1N1CC[NH+](C)CC1	ZINC000226278295	436713941	/nfs/dbraw/zinc/71/39/41/436713941.db2.gz	UUYNYQRETRPNJD-UHFFFAOYSA-N	1	0	325.372	0.809	10	30		ECEERO
N#Cc1c(NC(=O)CC[N@H+]2C[C@@H](O)C[C@@H]2CO)sc2c1CCC2	ZINC000184715391	437410914	/nfs/dbraw/zinc/41/09/14/437410914.db2.gz	SKDBKRPHRQHEAP-MNOVXSKESA-N	1	0	335.429	0.865	10	30		ECEERO
N#Cc1c(NC(=O)CC[N@H+]2C[C@H](O)C[C@@H]2CO)sc2c1CCC2	ZINC000184715371	437410951	/nfs/dbraw/zinc/41/09/51/437410951.db2.gz	SKDBKRPHRQHEAP-GHMZBOCLSA-N	1	0	335.429	0.865	10	30		ECEERO
C#CCNC(=O)[C@H](C)[NH+]1CCC(N(C)CC(=O)OC(C)(C)C)CC1	ZINC000191981953	437659002	/nfs/dbraw/zinc/65/90/02/437659002.db2.gz	LBVFZKJIBRPVBA-AWEZNQCLSA-N	1	0	337.464	0.862	10	30		ECEERO
CO[C@H]1C[C@@H](C(=O)N2CCN(c3ccc(C#N)nc3)CC2)[N@H+](C)C1	ZINC000583620225	439488748	/nfs/dbraw/zinc/48/87/48/439488748.db2.gz	ORCKHZVOPGQTSJ-HOTGVXAUSA-N	1	0	329.404	0.321	10	30		ECEERO
C[NH+]=C(NCCn1cc(C)cn1)N[C@@H]1CCCN(c2cnn(C)c2)C1	ZINC000131790139	590616789	/nfs/dbraw/zinc/61/67/89/590616789.db2.gz	AQRMCKWUPMPHHV-OAHLLOKOSA-N	1	0	344.467	0.759	10	30		ECEERO
C[NH+](C)[C@@H]1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1	ZINC000170842573	609724470	/nfs/dbraw/zinc/72/44/70/609724470.db2.gz	WTMAIPWXFKWQMT-MRXNPFEDSA-N	1	0	341.415	0.916	10	30		ECEERO
CCc1nnc(N2CCC[C@H](C(=O)NCC[NH3+])C2)c(C#N)c1CC	ZINC000261617000	281560972	/nfs/dbraw/zinc/56/09/72/281560972.db2.gz	FOUJGKIVPDQVDY-LBPRGKRZSA-N	1	0	330.436	0.764	10	30		ECEERO
CCOC(=O)[C@@H](C1=N/C(=C\C(=O)OC)C(=O)S1)[n+]1ccccc1	ZINC000096505696	436534438	/nfs/dbraw/zinc/53/44/38/436534438.db2.gz	JWBJYYNEWNIRAG-ZWLSGLHFSA-N	1	0	335.361	0.807	10	30		ECEERO
CN(CCC#N)C(=O)CC[NH+]1CCN(c2ccc3nncn3n2)CC1	ZINC000131503229	436852668	/nfs/dbraw/zinc/85/26/68/436852668.db2.gz	FCWFAVUCHIRZJP-UHFFFAOYSA-N	1	0	342.407	0.008	10	30		ECEERO
CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CC(=O)NCC#N)CC1	ZINC000190502137	437628887	/nfs/dbraw/zinc/62/88/87/437628887.db2.gz	VTJXCTGRYDTBJB-AWEZNQCLSA-N	1	0	338.452	0.754	10	30		ECEERO
C=CCNC(=O)NC(=O)[C@H](C)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1	ZINC000105826899	545738262	/nfs/dbraw/zinc/73/82/62/545738262.db2.gz	KSKQFKQBNRSXTK-HZSPNIEDSA-N	1	0	326.441	0.164	10	30		ECEERO
O=C(C[N+]12CCN(CC1)CC2)N1CCN(c2ccc(F)cc2)CC1	ZINC000030007830	717119197	/nfs/dbraw/zinc/11/91/97/717119197.db2.gz	UMOWFRMVCFTFTQ-UHFFFAOYSA-N	1	0	333.431	0.620	10	30		ECEERO
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)cc1	ZINC000170843422	436957207	/nfs/dbraw/zinc/95/72/07/436957207.db2.gz	NLEDFKLAZJYQPR-HNNXBMFYSA-N	1	0	344.415	0.703	10	30		ECEERO
Cn1cc(O[C@@H]2C[N@H+](CCOc3cccc(C#N)c3)C[C@H]2O)cn1	ZINC000599501738	439494918	/nfs/dbraw/zinc/49/49/18/439494918.db2.gz	VUBQIXQLUXPCBJ-IAGOWNOFSA-N	1	0	328.372	0.795	10	30		ECEERO
Cn1ccnc1[C@@H]1OCCC[C@H]1C[NH+]1CCN(C(=O)CC#N)CC1	ZINC000895065198	586159461	/nfs/dbraw/zinc/15/94/61/586159461.db2.gz	ACCOCMXDVCRVEW-GOEBONIOSA-N	1	0	331.420	0.946	10	30		ECEERO
CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@H]1CCc2nc(CC)nn2C1	ZINC000152106965	609833998	/nfs/dbraw/zinc/83/39/98/609833998.db2.gz	FPTCFLXQJTZBQZ-IHRRRGAJSA-N	1	0	334.468	0.871	10	30		ECEERO
CCc1nc2n(n1)C[C@@H](NC(NCC(=O)N(C)C)=[NH+]C(C)C)CC2	ZINC000185515733	611025811	/nfs/dbraw/zinc/02/58/11/611025811.db2.gz	ZWBQBHGDXKHGHZ-LBPRGKRZSA-N	1	0	335.456	0.187	10	30		ECEERO
O=C(C[N+]12CCN(CC1)CC2)Nc1cc(-n2cnnn2)ccc1Cl	ZINC000155261832	717154477	/nfs/dbraw/zinc/15/44/77/717154477.db2.gz	KCUXUHWQRSSGKL-UHFFFAOYSA-O	1	0	348.818	0.400	10	30		ECEERO
COC[C@H](O)C[NH+]1CCC(Nc2nccc(C#N)c2[N+](=O)[O-])CC1	ZINC000089646224	436414094	/nfs/dbraw/zinc/41/40/94/436414094.db2.gz	SBOFWZLMDNYVLH-CYBMUJFWSA-N	1	0	335.364	0.745	10	30		ECEERO
C[NH+](C)C[C@@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CCO1	ZINC000175978382	437125328	/nfs/dbraw/zinc/12/53/28/437125328.db2.gz	ZGFMQCRCYVJYHY-MRXNPFEDSA-N	1	0	332.404	0.909	10	30		ECEERO
CN1CCN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C[C@@H]1C#N	ZINC000333479720	277091670	/nfs/dbraw/zinc/09/16/70/277091670.db2.gz	FKXOINIYRBYLEW-STWSTGMMSA-N	1	0	331.464	0.989	10	30		ECEERO
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000190105332	437616752	/nfs/dbraw/zinc/61/67/52/437616752.db2.gz	KVLGXEBJJADGLW-CHWSQXEVSA-N	1	0	330.392	0.430	10	30		ECEERO
CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)C(=O)N(C)CCC#N)ncn1	ZINC000105797709	436577292	/nfs/dbraw/zinc/57/72/92/436577292.db2.gz	FCVBTFXCHPEAAO-UONOGXRCSA-N	1	0	345.451	0.837	10	30		ECEERO
C#CCNC(=O)c1ccc(N2CC[N@@H+](CCOCC)[C@H](C)C2)nc1	ZINC000246076743	436772323	/nfs/dbraw/zinc/77/23/23/436772323.db2.gz	FNFSIFILCIYXCE-OAHLLOKOSA-N	1	0	330.432	0.992	10	30		ECEERO
N#Cc1ccc(C(=O)NCC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1	ZINC000171117218	436968585	/nfs/dbraw/zinc/96/85/85/436968585.db2.gz	HLQSRUWPKPGACN-INIZCTEOSA-N	1	0	326.400	0.985	10	30		ECEERO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N[C@@H]1CCc2ncnn2C1	ZINC000165115146	436935972	/nfs/dbraw/zinc/93/59/72/436935972.db2.gz	AHDOLQIJBBAEGL-OSRDXIQISA-N	1	0	330.436	0.716	10	30		ECEERO
N#Cc1ccc(CNC(=O)C[NH2+][C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)cc1	ZINC000591665297	439053228	/nfs/dbraw/zinc/05/32/28/439053228.db2.gz	VJQDFNCGASBBDB-KURKYZTESA-N	1	0	342.443	0.752	10	30		ECEERO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000174006499	527107672	/nfs/dbraw/zinc/10/76/72/527107672.db2.gz	DVMPGGXYIINYJQ-CYBMUJFWSA-N	1	0	333.363	0.939	10	30		ECEERO
COCC[N@@H+]1CCN(C[C@H](O)COc2ccc(C#N)cc2)C[C@@H]1C	ZINC000105833145	545740242	/nfs/dbraw/zinc/74/02/42/545740242.db2.gz	HGFCCXINIQQXEN-RDJZCZTQSA-N	1	0	333.432	0.950	10	30		ECEERO
C[NH+]=C(NCCNS(C)(=O)=O)NC1CCC(C(F)(F)F)CC1	ZINC000124694860	590206769	/nfs/dbraw/zinc/20/67/69/590206769.db2.gz	YTLCHVCPZNYRJX-UHFFFAOYSA-N	1	0	344.403	0.822	10	30		ECEERO
C[NH+](C)[C@H]1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000170842569	609724514	/nfs/dbraw/zinc/72/45/14/609724514.db2.gz	GDMYLBNLRVDTQP-INIZCTEOSA-N	1	0	341.415	0.916	10	30		ECEERO
CC[NH+]=C(NC[C@]1(O)CCSC1)N[C@H]1CCCn2nc(C)nc21	ZINC000154116249	609945359	/nfs/dbraw/zinc/94/53/59/609945359.db2.gz	IGRATULRWUCWQS-SWLSCSKDSA-N	1	0	338.481	0.845	10	30		ECEERO
CN1CCN(Nc2[nH+]cnc(N(CCC#N)CCC#N)c2N)CC1	ZINC000040737024	202460846	/nfs/dbraw/zinc/46/08/46/202460846.db2.gz	ZHMCQICZNHZHLL-UHFFFAOYSA-N	1	0	329.412	0.267	10	30		ECEERO
CN1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@H]1C#N	ZINC000329935814	277087767	/nfs/dbraw/zinc/08/77/67/277087767.db2.gz	RFNATCVGRSXKNO-ZACQAIPSSA-N	1	0	349.479	0.808	10	30		ECEERO
COCCN1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)C[C@@H]1C	ZINC000119522877	436667272	/nfs/dbraw/zinc/66/72/72/436667272.db2.gz	GESPMDBCMNDXBO-AWEZNQCLSA-N	1	0	330.384	0.946	10	30		ECEERO
C[NH+]=C(NCc1nnc2ccccn21)NCc1cccc(OC)n1	ZINC000263238845	436957814	/nfs/dbraw/zinc/95/78/14/436957814.db2.gz	KLHMNRRWOLFYJC-UHFFFAOYSA-N	1	0	325.376	0.998	10	30		ECEERO
C[C@@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)C(=O)N(C)CCC#N	ZINC000181565573	437324542	/nfs/dbraw/zinc/32/45/42/437324542.db2.gz	WLBSWDNFAXKKLS-VXGBXAGGSA-N	1	0	338.433	0.745	10	30		ECEERO
CC[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1CCCn2nc(C)nc21	ZINC000154115952	609945309	/nfs/dbraw/zinc/94/53/09/609945309.db2.gz	IGRATULRWUCWQS-IUODEOHRSA-N	1	0	338.481	0.845	10	30		ECEERO
C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CCO1	ZINC000125502098	205013189	/nfs/dbraw/zinc/01/31/89/205013189.db2.gz	BGDLRCVQAGVIFM-LLVKDONJSA-N	1	0	345.371	0.788	10	30		ECEERO
N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1	ZINC000177901776	608943440	/nfs/dbraw/zinc/94/34/40/608943440.db2.gz	VZGJFSWCQIIYBY-CYBMUJFWSA-N	1	0	346.362	0.973	10	30		ECEERO
Cn1c2ncn(CCC/[NH+]=C3/CCCCCN3C)c2c(=O)n(C)c1=O	ZINC000033606195	202267955	/nfs/dbraw/zinc/26/79/55/202267955.db2.gz	YDRFLWRPIQSMJQ-AQTBWJFISA-N	1	0	346.435	0.728	10	30		ECEERO
C[NH+]=C(NCc1cc(C#N)ccc1F)N[C@@H]1CCc2ncnn2C1	ZINC000153450111	254500047	/nfs/dbraw/zinc/50/00/47/254500047.db2.gz	FUIKJOXVQMTMBC-CYBMUJFWSA-N	1	0	327.367	0.969	10	30		ECEERO
C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)NC[C@H]1CCOC1	ZINC000262766206	254510284	/nfs/dbraw/zinc/51/02/84/254510284.db2.gz	GKZOYVNIJDRAFX-SECBINFHSA-N	1	0	332.451	0.097	10	30		ECEERO
N/[NH+]=C\c1ccc(N2CCN(C3CC[NH+](CC(=O)[O-])CC3)CC2)cc1	ZINC000090612451	436435137	/nfs/dbraw/zinc/43/51/37/436435137.db2.gz	PWIBJZBXBPVCAM-MOSHPQCFSA-N	1	0	345.447	0.650	10	30		ECEERO
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000113445111	436637680	/nfs/dbraw/zinc/63/76/80/436637680.db2.gz	HXWAFANPSBAPKM-CZUORRHYSA-N	1	0	326.400	0.983	10	30		ECEERO
Cc1noc([C@H](C)N2CC[NH+](CCC(=O)N(C)CCC#N)CC2)n1	ZINC000131514617	436853413	/nfs/dbraw/zinc/85/34/13/436853413.db2.gz	CGJAPRKMCWEIKG-ZDUSSCGKSA-N	1	0	334.424	0.819	10	30		ECEERO
CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1	ZINC000175584638	437108844	/nfs/dbraw/zinc/10/88/44/437108844.db2.gz	NAQGXXGEYJZDFD-INIZCTEOSA-N	1	0	345.447	0.753	10	30		ECEERO
Cn1cc(C[NH2+]C[C@@H]2OCCN(C)[C@H]2c2ccnn2C)cc1C#N	ZINC000886095055	590794676	/nfs/dbraw/zinc/79/46/76/590794676.db2.gz	LDEHGMGUMQYOBQ-IRXDYDNUSA-N	1	0	328.420	0.792	10	30		ECEERO
CNC(=O)C(C)(C)CNC(N[C@@H]1CCc2nc(C(C)C)nn2C1)=[NH+]C	ZINC000153933570	609936667	/nfs/dbraw/zinc/93/66/67/609936667.db2.gz	ZCTUCXXGAFVARM-GFCCVEGCSA-N	1	0	349.483	0.654	10	30		ECEERO
C[C@@H]1C[NH+]=C(NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)N1	ZINC000262627048	254509305	/nfs/dbraw/zinc/50/93/05/254509305.db2.gz	DTSHLNWYAFBBBO-MNOVXSKESA-N	1	0	328.463	0.696	10	30		ECEERO
C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1	ZINC000195323437	436687773	/nfs/dbraw/zinc/68/77/73/436687773.db2.gz	LIPYTQXWCIHREP-HNNXBMFYSA-N	1	0	347.440	0.518	10	30		ECEERO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1	ZINC000184943991	437417487	/nfs/dbraw/zinc/41/74/87/437417487.db2.gz	LUBICZCCDYOJOX-CQSZACIVSA-N	1	0	327.384	0.944	10	30		ECEERO
C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N+]12CCN(CC1)CC2	ZINC000022308222	717113631	/nfs/dbraw/zinc/11/36/31/717113631.db2.gz	ZCLVVNAHXWAOKP-MRXNPFEDSA-O	1	0	345.467	0.996	10	30		ECEERO
CN(c1ncnc(N(CC#N)CC#N)c1[N+](=O)[O-])C1CC[NH+](C)CC1	ZINC000040618030	213359178	/nfs/dbraw/zinc/35/91/78/213359178.db2.gz	DYECFIVZHIRGIA-UHFFFAOYSA-N	1	0	344.379	0.769	10	30		ECEERO
CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000124087897	436746358	/nfs/dbraw/zinc/74/63/58/436746358.db2.gz	ZYVIOQKXJVYDHY-CYBMUJFWSA-N	1	0	334.424	0.828	10	30		ECEERO
C=CCNC(=O)[C@@H](C)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000247372718	436793821	/nfs/dbraw/zinc/79/38/21/436793821.db2.gz	UWNZEMUKVVSHCI-IAGOWNOFSA-N	1	0	338.496	0.404	10	30		ECEERO
Cc1cc(C)n(C[C@@H]2C[N@H+](CCC(=O)N(C)CCC#N)CCO2)n1	ZINC000131526273	436853655	/nfs/dbraw/zinc/85/36/55/436853655.db2.gz	FDIMHVPLBZHWPJ-INIZCTEOSA-N	1	0	333.436	0.963	10	30		ECEERO
C#CC[NH+]1CCC(C(=O)N2CCO[C@@H](c3n[nH]c(CC)n3)C2)CC1	ZINC000173607830	437057915	/nfs/dbraw/zinc/05/79/15/437057915.db2.gz	XPIHHJQNPRBLTC-CQSZACIVSA-N	1	0	331.420	0.612	10	30		ECEERO
N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000175948327	437125584	/nfs/dbraw/zinc/12/55/84/437125584.db2.gz	OOJLBDVUPSMUPF-CQSZACIVSA-N	1	0	348.378	0.599	10	30		ECEERO
CNC(=O)[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C(C)C	ZINC000183661146	437388389	/nfs/dbraw/zinc/38/83/89/437388389.db2.gz	CLJSNHJEINQBDL-GOEBONIOSA-N	1	0	337.468	0.039	10	30		ECEERO
CNC(=O)[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C(C)C	ZINC000183661131	437388458	/nfs/dbraw/zinc/38/84/58/437388458.db2.gz	CLJSNHJEINQBDL-GDBMZVCRSA-N	1	0	337.468	0.039	10	30		ECEERO
C=CCn1nnn(CN2CC[N@H+](CCOC)[C@H](CC)C2)c1=S	ZINC000117324700	589755438	/nfs/dbraw/zinc/75/54/38/589755438.db2.gz	NJFPISOHBUQTDO-CYBMUJFWSA-N	1	0	326.470	0.995	10	30		ECEERO
C[NH+]=C(NCc1nccn1CC(C)C)N[C@H]1CCc2ncnn2C1	ZINC000128555156	590413972	/nfs/dbraw/zinc/41/39/72/590413972.db2.gz	SRTOFXGZDMPMGV-ZDUSSCGKSA-N	1	0	330.440	0.811	10	30		ECEERO
CCc1nc2n(n1)C[C@@H](NC(NCCn1cc(C)cn1)=[NH+]C)CC2	ZINC000131705239	590615224	/nfs/dbraw/zinc/61/52/24/590615224.db2.gz	RPUYSSTXJYQGEQ-ZDUSSCGKSA-N	1	0	330.440	0.525	10	30		ECEERO
O=C(C[N+]12CCN(CC1)CC2)Nc1ccccc1C(=O)NC1CC1	ZINC000029221483	717116736	/nfs/dbraw/zinc/11/67/36/717116736.db2.gz	MVCICJXHUDNOHG-UHFFFAOYSA-O	1	0	329.424	0.663	10	30		ECEERO
O=C(C[N+]12CCN(CC1)CC2)Nc1cccc(C(=O)NC2CC2)c1	ZINC000029225194	717117238	/nfs/dbraw/zinc/11/72/38/717117238.db2.gz	AULTUCSALCGEPM-UHFFFAOYSA-O	1	0	329.424	0.663	10	30		ECEERO
CC[NH+]1CCC(NC(=O)CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CC1	ZINC000329163385	740442133	/nfs/dbraw/zinc/44/21/33/740442133.db2.gz	GLDIPMAJTZJVBE-GXTWGEPZSA-N	1	0	329.466	0.546	10	30		ECEERO
COc1ccc(CNC(=O)[C@H](C)[N+]23CCN(CC2)CC3)cc1OC	ZINC000015454158	717111850	/nfs/dbraw/zinc/11/18/50/717111850.db2.gz	SRELEUGOJDBMNL-AWEZNQCLSA-O	1	0	334.440	0.855	10	30		ECEERO
COc1ccc(CNC(=O)[C@@H](C)[N+]23CCN(CC2)CC3)cc1OC	ZINC000015454157	717111941	/nfs/dbraw/zinc/11/19/41/717111941.db2.gz	SRELEUGOJDBMNL-CQSZACIVSA-O	1	0	334.440	0.855	10	30		ECEERO
COc1ccc(C)cc1NC(=O)CNC(=O)C[N+]12CCN(CC1)CC2	ZINC000024154332	717113586	/nfs/dbraw/zinc/11/35/86/717113586.db2.gz	GRNPBOOYFLKCLB-UHFFFAOYSA-O	1	0	347.439	0.204	10	30		ECEERO
CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)CSCC#N)CC2)C1	ZINC000105818286	436579972	/nfs/dbraw/zinc/57/99/72/436579972.db2.gz	HCEURNVDPDHSER-HNNXBMFYSA-N	1	0	340.493	0.497	10	30		ECEERO
COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)CN1CCCC1=O	ZINC000111685506	436631529	/nfs/dbraw/zinc/63/15/29/436631529.db2.gz	NGHNFBTYFVUBAZ-QGZVFWFLSA-N	1	0	331.416	0.990	10	30		ECEERO
CN1CCO[C@H](CNS(=O)(=O)c2ccc(Cl)cc2C#N)C1	ZINC000156925258	436822619	/nfs/dbraw/zinc/82/26/19/436822619.db2.gz	PGCQKXHWNSJYHX-GFCCVEGCSA-N	1	0	329.809	0.821	10	30		ECEERO
C=CCNC(=O)NC(=O)[C@@H](C)N1CC[N@@H+](CCOCC)[C@@H](CC)C1	ZINC000247376159	436793004	/nfs/dbraw/zinc/79/30/04/436793004.db2.gz	VICNDHPPDYJPJM-CABCVRRESA-N	1	0	340.468	0.819	10	30		ECEERO
CN1CCO[C@@H](CNS(=O)(=O)c2cccc(Cl)c2C#N)C1	ZINC000156925713	436822148	/nfs/dbraw/zinc/82/21/48/436822148.db2.gz	QJHHFPMQPXQZQC-JTQLQIEISA-N	1	0	329.809	0.821	10	30		ECEERO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1	ZINC000170860453	436957781	/nfs/dbraw/zinc/95/77/81/436957781.db2.gz	RCDRVIOKOZWMTO-CQSZACIVSA-N	1	0	337.445	0.927	10	30		ECEERO
C#CCNC(=O)c1ccc(NC[C@H](c2cnn(C)c2)[NH+](C)C)nc1	ZINC000301298178	437116683	/nfs/dbraw/zinc/11/66/83/437116683.db2.gz	STZIMIGVBVUGEL-OAHLLOKOSA-N	1	0	326.404	0.893	10	30		ECEERO
Cc1nn(C)c(C)c1CN1CC[NH+](CCC(=O)N(C)CCC#N)CC1	ZINC000181563272	437323449	/nfs/dbraw/zinc/32/34/49/437323449.db2.gz	MZEKMYXQAOSXEQ-UHFFFAOYSA-N	1	0	346.479	0.917	10	30		ECEERO
C[NH+](C)[C@@H]1CN(Cc2cnc3c(C#N)cnn3c2)C[C@@H]1n1ccnn1	ZINC000862497538	589941986	/nfs/dbraw/zinc/94/19/86/589941986.db2.gz	WWXWQAMOOQFSIK-CABCVRRESA-N	1	0	337.391	0.180	10	30		ECEERO
C[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@H]1CCCN(c2cnn(C)c2)C1	ZINC000262815993	254511124	/nfs/dbraw/zinc/51/11/24/254511124.db2.gz	WPSYUOWLTCYOKG-JQWIXIFHSA-N	1	0	348.373	0.477	10	30		ECEERO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1	ZINC000247209593	436790430	/nfs/dbraw/zinc/79/04/30/436790430.db2.gz	POJKAIQLCUOJBF-KGLIPLIRSA-N	1	0	346.435	0.778	10	30		ECEERO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1	ZINC000170860311	436956774	/nfs/dbraw/zinc/95/67/74/436956774.db2.gz	ITYBWSSIBPHDND-AWEZNQCLSA-N	1	0	337.445	0.927	10	30		ECEERO
C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)CC1	ZINC000175766438	437114570	/nfs/dbraw/zinc/11/45/70/437114570.db2.gz	YYZZYMMTFFTMSI-NVXWUHKLSA-N	1	0	336.480	0.999	10	30		ECEERO
C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CCO1	ZINC000177676331	437193619	/nfs/dbraw/zinc/19/36/19/437193619.db2.gz	SKDXTUYJWXZEDF-CYBMUJFWSA-N	1	0	334.351	0.425	10	30		ECEERO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000174006508	527108303	/nfs/dbraw/zinc/10/83/03/527108303.db2.gz	DVMPGGXYIINYJQ-ZDUSSCGKSA-N	1	0	333.363	0.939	10	30		ECEERO
CC[C@H]1CN(CC(=O)N(CCC#N)CCC#N)CC[N@@H+]1C[C@@H](C)O	ZINC000105827741	545736890	/nfs/dbraw/zinc/73/68/90/545736890.db2.gz	ADFNCEFWUYNQKX-CVEARBPZSA-N	1	0	335.452	0.419	10	30		ECEERO
C=CCNC(=O)NC(=O)[C@H](C)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1	ZINC000105826901	545737773	/nfs/dbraw/zinc/73/77/73/545737773.db2.gz	KSKQFKQBNRSXTK-RDBSUJKOSA-N	1	0	326.441	0.164	10	30		ECEERO
O=C(C[N+]12CCN(CC1)CC2)Nc1ccccc1N1CCCC1=O	ZINC000030007816	717119158	/nfs/dbraw/zinc/11/91/58/717119158.db2.gz	DJHNCJOGPLEFDS-UHFFFAOYSA-O	1	0	329.424	0.898	10	30		ECEERO
C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N1CCC(C(=O)OC)CC1	ZINC000262754833	254509939	/nfs/dbraw/zinc/50/99/39/254509939.db2.gz	DCJNULVFPRPMAN-CYBMUJFWSA-N	1	0	348.451	0.609	10	30		ECEERO
CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(CC(=O)NCC#N)CC1	ZINC000190353654	437623815	/nfs/dbraw/zinc/62/38/15/437623815.db2.gz	RFXDUALBODWSJC-UHFFFAOYSA-N	1	0	338.452	0.754	10	30		ECEERO
CC[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)CC[N@@H+]1C[C@H](C)O	ZINC000246307295	436777379	/nfs/dbraw/zinc/77/73/79/436777379.db2.gz	ADFNCEFWUYNQKX-JKSUJKDBSA-N	1	0	335.452	0.419	10	30		ECEERO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]([NH+](C)C)C2)c1	ZINC000170860454	436957762	/nfs/dbraw/zinc/95/77/62/436957762.db2.gz	RCDRVIOKOZWMTO-AWEZNQCLSA-N	1	0	337.445	0.927	10	30		ECEERO
C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1ccc(S(N)(=O)=O)cc1	ZINC000181565537	437323296	/nfs/dbraw/zinc/32/32/96/437323296.db2.gz	WLBSWDNFAXKKLS-NEPJUHHUSA-N	1	0	338.433	0.745	10	30		ECEERO
C[NH+](C)CCCNc1ncnc2c1C(=O)C(N1CC1)=C(N1CC1)C2=O	ZINC000003921458	210094533	/nfs/dbraw/zinc/09/45/33/210094533.db2.gz	VAQMBBQFJFTWPC-UHFFFAOYSA-N	1	0	342.403	0.062	10	30		ECEERO
C[NH+]=C(NCC(=O)NC(C)C)N[C@H]1CCCN(c2cnn(C)c2)C1	ZINC000131796988	254497835	/nfs/dbraw/zinc/49/78/35/254497835.db2.gz	ZINHYMUAVJHRLN-ZDUSSCGKSA-N	1	0	335.456	0.079	10	30		ECEERO
C[NH+]=C(NCC(=O)NC(C)C)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1	ZINC000262804146	275732455	/nfs/dbraw/zinc/73/24/55/275732455.db2.gz	RQMHEANENUNANI-CHWSQXEVSA-N	1	0	325.457	0.323	10	30		ECEERO
CCCCNC(=O)NCC[NH2+]C[C@H](O)COc1ccccc1C#N	ZINC000028264694	436188936	/nfs/dbraw/zinc/18/89/36/436188936.db2.gz	NHOKDJVVRSPQNB-HNNXBMFYSA-N	1	0	334.420	0.987	10	30		ECEERO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000105803651	436578716	/nfs/dbraw/zinc/57/87/16/436578716.db2.gz	POJKAIQLCUOJBF-UONOGXRCSA-N	1	0	346.435	0.778	10	30		ECEERO
COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)CN1CCCC1=O	ZINC000111685504	436631696	/nfs/dbraw/zinc/63/16/96/436631696.db2.gz	NGHNFBTYFVUBAZ-KRWDZBQOSA-N	1	0	331.416	0.990	10	30		ECEERO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1	ZINC000178517482	437218078	/nfs/dbraw/zinc/21/80/78/437218078.db2.gz	PHZHNFGLZDVZOK-CQSZACIVSA-N	1	0	330.388	0.594	10	30		ECEERO
CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@@H](C)C#N)CC2)C1	ZINC000182856152	437364466	/nfs/dbraw/zinc/36/44/66/437364466.db2.gz	KETXBJYAAHXWDE-HOTGVXAUSA-N	1	0	337.468	0.582	10	30		ECEERO
CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000190356634	437624226	/nfs/dbraw/zinc/62/42/26/437624226.db2.gz	UYAGNLJCQUKZAC-UONOGXRCSA-N	1	0	344.419	0.820	10	30		ECEERO
CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CC(=O)NCC#N)CC1	ZINC000190502115	437629637	/nfs/dbraw/zinc/62/96/37/437629637.db2.gz	VTJXCTGRYDTBJB-CQSZACIVSA-N	1	0	338.452	0.754	10	30		ECEERO
CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@H]1CCc2nnc(C(C)C)n2C1	ZINC000185512570	610999299	/nfs/dbraw/zinc/99/92/99/610999299.db2.gz	YCDJUSFYXUGZBJ-ZDUSSCGKSA-N	1	0	349.483	0.748	10	30		ECEERO
O=C(NC[C@H](O)CN1CCOCC1)c1ccccc1N1CCOCC1	ZINC000330100013	741620243	/nfs/dbraw/zinc/62/02/43/741620243.db2.gz	DIQOVKXYMPKOGV-HNNXBMFYSA-N	1	0	349.431	0.521	10	30		ECEERO
[NH2+]=C(NC[C@@H]1CS(=O)(=O)CCO1)N[C@H]1CCOc2ccccc21	ZINC000262672474	254509635	/nfs/dbraw/zinc/50/96/35/254509635.db2.gz	RTTBDCNVIDBDKK-YPMHNXCESA-N	1	0	339.417	0.228	10	30		ECEERO
Cc1cc(N2CC[C@H](NC(=O)N[C@@H]3CC[C@@H]([NH+](C)C)C3)C2=O)n(C)n1	ZINC000329081765	254597514	/nfs/dbraw/zinc/59/75/14/254597514.db2.gz	SALVYRMEQQSXSW-MCIONIFRSA-N	1	0	348.451	0.820	10	30		ECEERO
C=CCNC(=O)[C@H](C)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000105845721	436581679	/nfs/dbraw/zinc/58/16/79/436581679.db2.gz	UWNZEMUKVVSHCI-IRXDYDNUSA-N	1	0	338.496	0.404	10	30		ECEERO
CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2ccn(CCC#N)n2)[C@@H](C)C1	ZINC000150797015	436690869	/nfs/dbraw/zinc/69/08/69/436690869.db2.gz	VYLLNIDIPMLQBA-STQMWFEESA-N	1	0	332.408	0.580	10	30		ECEERO
CC[C@H]1CN(CC(=O)N(CCC#N)CCC#N)CC[N@@H+]1C[C@H](C)O	ZINC000246307290	436776416	/nfs/dbraw/zinc/77/64/16/436776416.db2.gz	ADFNCEFWUYNQKX-HOTGVXAUSA-N	1	0	335.452	0.419	10	30		ECEERO
CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@H](C)C#N)CC2)C1	ZINC000248441314	436802725	/nfs/dbraw/zinc/80/27/25/436802725.db2.gz	KETXBJYAAHXWDE-CVEARBPZSA-N	1	0	337.468	0.582	10	30		ECEERO
Cc1c([C@H]2C[N@H+](Cc3cc(C#N)n(C)c3)C[C@@H]2C(N)=O)cnn1C	ZINC000888078750	586246224	/nfs/dbraw/zinc/24/62/24/586246224.db2.gz	UJRSRLMBBWEITO-CVEARBPZSA-N	1	0	326.404	0.640	10	30		ECEERO
COc1ccc(NC(C)=O)cc1NC(=O)C[N+]12CCN(CC1)CC2	ZINC000029224504	717117394	/nfs/dbraw/zinc/11/73/94/717117394.db2.gz	JGZYRKHTOXHNMV-UHFFFAOYSA-O	1	0	333.412	0.738	10	30		ECEERO
C[NH+]=C(NCC(=O)NC(C)(C)C)N1CCN(c2ncccn2)CC1	ZINC000073447323	275404915	/nfs/dbraw/zinc/40/49/15/275404915.db2.gz	UHXUPILMKBAPOE-UHFFFAOYSA-N	1	0	333.440	0.089	10	30		ECEERO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@@H](C[NH+](C)C)C1	ZINC000116786347	436650906	/nfs/dbraw/zinc/65/09/06/436650906.db2.gz	JBKFPRMTQNENTC-AWEZNQCLSA-N	1	0	346.431	0.585	10	30		ECEERO
C=CCNC(=O)NC(=O)[C@H](C)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1	ZINC000247137062	436790465	/nfs/dbraw/zinc/79/04/65/436790465.db2.gz	KSKQFKQBNRSXTK-MELADBBJSA-N	1	0	326.441	0.164	10	30		ECEERO
C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1	ZINC000170856876	436957471	/nfs/dbraw/zinc/95/74/71/436957471.db2.gz	SHPIDTLVYOXHPB-CQSZACIVSA-N	1	0	335.429	0.374	10	30		ECEERO
C#CCCCNC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000173326667	437044646	/nfs/dbraw/zinc/04/46/46/437044646.db2.gz	ROTUBFNMNNXCCH-QGZVFWFLSA-N	1	0	336.480	0.836	10	30		ECEERO
C=CC[NH+]1CCC(NC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)CC1	ZINC000175513110	437106496	/nfs/dbraw/zinc/10/64/96/437106496.db2.gz	YTLZDYJSTYYBMS-AWEZNQCLSA-N	1	0	334.424	0.846	10	30		ECEERO
C[NH+](C)C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CCO1	ZINC000176010165	437127803	/nfs/dbraw/zinc/12/78/03/437127803.db2.gz	PKBNFCSARFRKIA-ZDUSSCGKSA-N	1	0	334.351	0.425	10	30		ECEERO
Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000178417160	437214806	/nfs/dbraw/zinc/21/48/06/437214806.db2.gz	XVAHATMQBSTECQ-HNNXBMFYSA-N	1	0	344.415	0.768	10	30		ECEERO
CC[NH+]=C(NC[C@@H]1CCCN1C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000158607772	608833732	/nfs/dbraw/zinc/83/37/32/608833732.db2.gz	CTHBQSIZBDHJMQ-ZDUSSCGKSA-N	1	0	330.498	0.555	10	30		ECEERO
CC[C@H](O)C[NH+]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000118858386	221197701	/nfs/dbraw/zinc/19/77/01/221197701.db2.gz	GADWIOASCKPEJU-DLBZAZTESA-N	1	0	333.432	0.686	10	30		ECEERO
C[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@H]1CCc2nnc(C(C)C)n2C1	ZINC000262775483	275407497	/nfs/dbraw/zinc/40/74/97/275407497.db2.gz	JEHYDPGKYUMTJF-UWVGGRQHSA-N	1	0	348.373	0.805	10	30		ECEERO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCCN(Cc2cnn(C)c2)CC1	ZINC000105869531	436582788	/nfs/dbraw/zinc/58/27/88/436582788.db2.gz	OQSKRNLXRGXFSK-OAHLLOKOSA-N	1	0	332.452	0.688	10	30		ECEERO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@H](C[NH+](C)C)C1	ZINC000116786344	436651024	/nfs/dbraw/zinc/65/10/24/436651024.db2.gz	JBKFPRMTQNENTC-CQSZACIVSA-N	1	0	346.431	0.585	10	30		ECEERO
C=CCCS(=O)(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000120701401	436697026	/nfs/dbraw/zinc/69/70/26/436697026.db2.gz	JRMBHTYSMMZWBD-INIZCTEOSA-N	1	0	345.509	0.619	10	30		ECEERO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(c3cccnn3)C2)CC1	ZINC000125043716	436762435	/nfs/dbraw/zinc/76/24/35/436762435.db2.gz	WCLQQOGEMPSSKB-INIZCTEOSA-N	1	0	327.432	0.907	10	30		ECEERO
C=CCNC(=O)NC(=O)[C@H](C)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1	ZINC000247137036	436790709	/nfs/dbraw/zinc/79/07/09/436790709.db2.gz	KSKQFKQBNRSXTK-IHRRRGAJSA-N	1	0	326.441	0.164	10	30		ECEERO
CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1	ZINC000181302221	529055165	/nfs/dbraw/zinc/05/51/65/529055165.db2.gz	QZAYWOSDWNHZTA-QGZVFWFLSA-N	1	0	345.447	0.753	10	30		ECEERO
CN(CC(=O)N1CC[NH2+]CC1)c1ncc(Br)cc1C#N	ZINC000261694459	165228636	/nfs/dbraw/zinc/22/86/36/165228636.db2.gz	HZONZPFEPGEDDN-UHFFFAOYSA-N	1	0	338.209	0.584	10	30		ECEERO
C[NH+]=C(NCc1cn(CC(=O)OC)nn1)N1CCc2ccccc2C1	ZINC000134176729	277753255	/nfs/dbraw/zinc/75/32/55/277753255.db2.gz	RTDCPZFXXVEUBC-UHFFFAOYSA-N	1	0	342.403	0.585	10	30		ECEERO
Cn1c(N=[N+]=Cc2ccc([N+](=O)[O-])cc2)c(N=N)c(=O)n(C)c1=O	ZINC000096448920	436533344	/nfs/dbraw/zinc/53/33/44/436533344.db2.gz	FBOSOTTTYXBRFY-UHFFFAOYSA-N	1	0	330.284	0.531	10	30		ECEERO
C[NH+](C)[C@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000170865810	436958149	/nfs/dbraw/zinc/95/81/49/436958149.db2.gz	SQWGRPZNRMTVBN-HNNXBMFYSA-N	1	0	335.429	0.636	10	30		ECEERO
Cn1cc([C@H]2C[N@H+](CCOc3cccc(C#N)c3)C[C@@H]2C(N)=O)cn1	ZINC000299746210	437111047	/nfs/dbraw/zinc/11/10/47/437111047.db2.gz	VUKUPJPRHLRIBL-SJORKVTESA-N	1	0	339.399	0.871	10	30		ECEERO
C[C@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)C(=O)N(C)CCC#N	ZINC000181565518	437323675	/nfs/dbraw/zinc/32/36/75/437323675.db2.gz	WLBSWDNFAXKKLS-RYUDHWBXSA-N	1	0	338.433	0.745	10	30		ECEERO
O=C(C[N+]12CCN(CC1)CC2)NC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000007613000	717105351	/nfs/dbraw/zinc/10/53/51/717105351.db2.gz	QUOHFADHVHQTJR-UHFFFAOYSA-O	1	0	347.483	0.927	10	30		ECEERO
Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000178417171	207685248	/nfs/dbraw/zinc/68/52/48/207685248.db2.gz	XVAHATMQBSTECQ-OAHLLOKOSA-N	1	0	344.415	0.768	10	30		ECEERO
COCc1ccccc1NC(=[NH2+])NC[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000133834091	254498557	/nfs/dbraw/zinc/49/85/57/254498557.db2.gz	PKXIJSMYMORIED-LBPRGKRZSA-N	1	0	340.449	0.841	10	30		ECEERO
[NH2+]=C(NCCS(=O)(=O)c1ccc(F)cc1)N1CCSCC1	ZINC000153430529	254500356	/nfs/dbraw/zinc/50/03/56/254500356.db2.gz	UBZDFRNKFFWZLO-UHFFFAOYSA-N	1	0	331.438	0.963	10	30		ECEERO
C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H]1C	ZINC000247382862	165160398	/nfs/dbraw/zinc/16/03/98/165160398.db2.gz	WBFIWSARHPGKJJ-YQQAZPJKSA-N	1	0	333.432	0.685	10	30		ECEERO
N#Cc1cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1	ZINC000041643033	436281011	/nfs/dbraw/zinc/28/10/11/436281011.db2.gz	LDBVDZGHYAVNNZ-OAHLLOKOSA-N	1	0	330.388	0.460	10	30		ECEERO
CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)C(=O)N(C)CCC#N)ncn1	ZINC000105797712	436577695	/nfs/dbraw/zinc/57/76/95/436577695.db2.gz	FCVBTFXCHPEAAO-ZIAGYGMSSA-N	1	0	345.451	0.837	10	30		ECEERO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CC[C@H](N2CCOCC2)C1	ZINC000163160329	436919305	/nfs/dbraw/zinc/91/93/05/436919305.db2.gz	CFRFPJSQOVWHOZ-NXOAAHMSSA-N	1	0	348.491	0.926	10	30		ECEERO
C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1	ZINC000170857518	436956982	/nfs/dbraw/zinc/95/69/82/436956982.db2.gz	TWDAQYDFNGZCBI-CQSZACIVSA-N	1	0	335.429	0.374	10	30		ECEERO
C[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)C(=O)N(C)CCC#N	ZINC000181565552	437324526	/nfs/dbraw/zinc/32/45/26/437324526.db2.gz	WLBSWDNFAXKKLS-NWDGAFQWSA-N	1	0	338.433	0.745	10	30		ECEERO
C[NH+]=C(NCCNS(C)(=O)=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000085500648	254488230	/nfs/dbraw/zinc/48/82/30/254488230.db2.gz	XFWQTVBPKLXLRC-NXEZZACHSA-N	1	0	344.403	0.822	10	30		ECEERO
CO[C@H]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)[C@@H](C[NH3+])C1	ZINC000262314302	165327827	/nfs/dbraw/zinc/32/78/27/165327827.db2.gz	QDMORUJQDNOWBG-NEPJUHHUSA-N	1	0	327.381	0.824	10	30		ECEERO
N#Cc1ccc(C(=O)NCC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1	ZINC000171117212	268030266	/nfs/dbraw/zinc/03/02/66/268030266.db2.gz	HLQSRUWPKPGACN-MRXNPFEDSA-N	1	0	326.400	0.985	10	30		ECEERO
CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)CSCC#N)CC2)C1	ZINC000105818282	436579422	/nfs/dbraw/zinc/57/94/22/436579422.db2.gz	HCEURNVDPDHSER-OAHLLOKOSA-N	1	0	340.493	0.497	10	30		ECEERO
CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccn(CCC#N)n2)C1	ZINC000246549979	436781858	/nfs/dbraw/zinc/78/18/58/436781858.db2.gz	VYLLNIDIPMLQBA-CHWSQXEVSA-N	1	0	332.408	0.580	10	30		ECEERO
C=CCNC(=O)[C@@H](C)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000247372741	436793049	/nfs/dbraw/zinc/79/30/49/436793049.db2.gz	UWNZEMUKVVSHCI-SJORKVTESA-N	1	0	338.496	0.404	10	30		ECEERO
Cn1cc(O[C@@H]2COC[C@@H]2[NH2+]Cc2cnc3ccc(C#N)cn23)cn1	ZINC000826789847	591168139	/nfs/dbraw/zinc/16/81/39/591168139.db2.gz	QCFGZGTWSJEWFD-JKSUJKDBSA-N	1	0	338.371	0.875	10	30		ECEERO
C[NH+]=C(NC[C@@H]1CN(C)CCO1)N1CC[C@@H](C(=O)OC(C)(C)C)C1	ZINC000179095698	608932490	/nfs/dbraw/zinc/93/24/90/608932490.db2.gz	RDMGZKROWXWTIU-ZIAGYGMSSA-N	1	0	340.468	0.556	10	30		ECEERO
C[NH+]=C(NCc1ccnc(C)n1)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000153297586	609895158	/nfs/dbraw/zinc/89/51/58/609895158.db2.gz	KHBAGGVPOYGEFU-OAHLLOKOSA-N	1	0	329.408	0.667	10	30		ECEERO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000105803655	436578699	/nfs/dbraw/zinc/57/86/99/436578699.db2.gz	POJKAIQLCUOJBF-ZIAGYGMSSA-N	1	0	346.435	0.778	10	30		ECEERO
C[C@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H]1N1CCOCC1	ZINC000177274888	437176528	/nfs/dbraw/zinc/17/65/28/437176528.db2.gz	CUCZNUHKQIJPPR-HOTGVXAUSA-N	1	0	333.436	0.295	10	30		ECEERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCO[C@@H](c3nncn3C)C2)C1	ZINC000328627144	437241303	/nfs/dbraw/zinc/24/13/03/437241303.db2.gz	MLGUJKRBPJCWDE-HZSPNIEDSA-N	1	0	336.440	0.831	10	30		ECEERO
Cc1ccc(NC(=O)CN(C)C(=O)C[N+]23CCN(CC2)CC3)cc1	ZINC000029219904	717116862	/nfs/dbraw/zinc/11/68/62/717116862.db2.gz	AJXKPDUKVPEPLE-UHFFFAOYSA-O	1	0	331.440	0.538	10	30		ECEERO
CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N+]12CCN(CC1)CC2	ZINC000029224209	717116900	/nfs/dbraw/zinc/11/69/00/717116900.db2.gz	BJXYXYPVBOYMPC-MRXNPFEDSA-N	1	0	346.451	0.821	10	30		ECEERO
N#Cc1ccc(C(=O)NCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1	ZINC000155396474	436795281	/nfs/dbraw/zinc/79/52/81/436795281.db2.gz	IXAPOYNQZOEHPM-MRXNPFEDSA-N	1	0	344.415	0.251	10	30		ECEERO
C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)CCO1	ZINC000157672335	436830926	/nfs/dbraw/zinc/83/09/26/436830926.db2.gz	DZDNWQKIPRRNCW-ZDUSSCGKSA-N	1	0	327.381	0.648	10	30		ECEERO
N#Cc1cc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCCCC2)ccc1F	ZINC000170839288	436954187	/nfs/dbraw/zinc/95/41/87/436954187.db2.gz	GRLNMRAMRSLJET-AWEZNQCLSA-N	1	0	348.378	0.599	10	30		ECEERO
C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CCO1	ZINC000176010152	437129098	/nfs/dbraw/zinc/12/90/98/437129098.db2.gz	PKBNFCSARFRKIA-CYBMUJFWSA-N	1	0	334.351	0.425	10	30		ECEERO
C[NH+]=C(NC[C@@H]1CN(C)CCO1)N1CC[C@H](C(=O)OC(C)(C)C)C1	ZINC000179095709	608932700	/nfs/dbraw/zinc/93/27/00/608932700.db2.gz	RDMGZKROWXWTIU-UONOGXRCSA-N	1	0	340.468	0.556	10	30		ECEERO
C[NH+]=C(NC[C@@H](O)c1ccc(C)cc1)N1CCN(C2CC2)C(=O)C1	ZINC000262780849	275733226	/nfs/dbraw/zinc/73/32/26/275733226.db2.gz	KSXAOXAPCHSAMX-MRXNPFEDSA-N	1	0	330.432	0.910	10	30		ECEERO
CCCCNC(=O)NCC[NH2+]C[C@@H](O)COc1ccccc1C#N	ZINC000028264690	436189233	/nfs/dbraw/zinc/18/92/33/436189233.db2.gz	NHOKDJVVRSPQNB-OAHLLOKOSA-N	1	0	334.420	0.987	10	30		ECEERO
C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1	ZINC000195323429	436687854	/nfs/dbraw/zinc/68/78/54/436687854.db2.gz	LIPYTQXWCIHREP-OAHLLOKOSA-N	1	0	347.440	0.518	10	30		ECEERO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)CC3CC(O)C3)CC2)o1	ZINC000190227619	238314030	/nfs/dbraw/zinc/31/40/30/238314030.db2.gz	QSONIRIMNMUSDP-UHFFFAOYSA-N	1	0	347.419	0.206	10	30		ECEERO
C[NH+]=C(NC[C@](C)(O)c1ccco1)N1CC[C@H](N2CCOCC2)C1	ZINC000262829879	254511225	/nfs/dbraw/zinc/51/12/25/254511225.db2.gz	ZMSMWSJHJSFVOH-YOEHRIQHSA-N	1	0	336.436	0.469	10	30		ECEERO
C[C@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@@H]1C	ZINC000246872276	165146054	/nfs/dbraw/zinc/14/60/54/165146054.db2.gz	MIBDYJKIIPNSKR-KBPBESRZSA-N	1	0	344.415	0.202	10	30		ECEERO
COC[C@]1(CNS(=O)(=O)c2ccc(F)c(C#N)c2)CCC[NH2+]1	ZINC000262531365	165358721	/nfs/dbraw/zinc/35/87/21/165358721.db2.gz	PRJIEOCFAAJWSE-CQSZACIVSA-N	1	0	327.381	0.744	10	30		ECEERO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1	ZINC000105884433	436585451	/nfs/dbraw/zinc/58/54/51/436585451.db2.gz	UOSAZWKEIAXLRX-OAHLLOKOSA-N	1	0	329.408	0.646	10	30		ECEERO
CC[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)CC[N@@H+]1C[C@@H](C)O	ZINC000105827740	545736651	/nfs/dbraw/zinc/73/66/51/545736651.db2.gz	ADFNCEFWUYNQKX-HZPDHXFCSA-N	1	0	335.452	0.419	10	30		ECEERO
C[NH+](C)[C@@H]1CN(c2nc3c(cc2C#N)COCC3)C[C@@H]1n1ccnn1	ZINC000858758504	589772012	/nfs/dbraw/zinc/77/20/12/589772012.db2.gz	QQTYUUMPIPKUSY-CVEARBPZSA-N	1	0	339.403	0.609	10	30		ECEERO
CO[C@H]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)[C@H](C[NH3+])C1	ZINC000262314308	165327459	/nfs/dbraw/zinc/32/74/59/165327459.db2.gz	QDMORUJQDNOWBG-RYUDHWBXSA-N	1	0	327.381	0.824	10	30		ECEERO
COC[C@@H](O)C[NH+]1CCC(Nc2nccc(C#N)c2[N+](=O)[O-])CC1	ZINC000089646227	436414359	/nfs/dbraw/zinc/41/43/59/436414359.db2.gz	SBOFWZLMDNYVLH-ZDUSSCGKSA-N	1	0	335.364	0.745	10	30		ECEERO
C#CC[NH+]1CCC(C(=O)N2CCCN(c3cccnn3)CC2)CC1	ZINC000105811395	436579855	/nfs/dbraw/zinc/57/98/55/436579855.db2.gz	LIHWJRYLLKUPFN-UHFFFAOYSA-N	1	0	327.432	0.861	10	30		ECEERO
C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1	ZINC000105802552	436577320	/nfs/dbraw/zinc/57/73/20/436577320.db2.gz	UNZUNMIPLDKBQX-ZDUSSCGKSA-N	1	0	332.408	0.389	10	30		ECEERO
C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000249169196	436816762	/nfs/dbraw/zinc/81/67/62/436816762.db2.gz	KVLGXEBJJADGLW-STQMWFEESA-N	1	0	330.392	0.430	10	30		ECEERO
N#Cc1cc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)ccc1F	ZINC000170839291	436955915	/nfs/dbraw/zinc/95/59/15/436955915.db2.gz	GRLNMRAMRSLJET-CQSZACIVSA-N	1	0	348.378	0.599	10	30		ECEERO
C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]([NH+](C)C)C2)c1	ZINC000170857520	436956913	/nfs/dbraw/zinc/95/69/13/436956913.db2.gz	TWDAQYDFNGZCBI-AWEZNQCLSA-N	1	0	335.429	0.374	10	30		ECEERO
Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1C#N	ZINC000177679125	437193262	/nfs/dbraw/zinc/19/32/62/437193262.db2.gz	SMYNFZSBITWVIP-ZDUSSCGKSA-N	1	0	330.388	0.594	10	30		ECEERO
Cc1cccc(NC(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1C#N	ZINC000177679111	437194077	/nfs/dbraw/zinc/19/40/77/437194077.db2.gz	SMYNFZSBITWVIP-CYBMUJFWSA-N	1	0	330.388	0.594	10	30		ECEERO
[NH2+]=C(NC[C@@H]1CCCC(=O)N1)N1CCN(c2ccc(F)cc2)CC1	ZINC000262834983	254511300	/nfs/dbraw/zinc/51/13/00/254511300.db2.gz	QTALYRANWJDUNL-AWEZNQCLSA-N	1	0	333.411	0.931	10	30		ECEERO
COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H](OC)C[C@H]1C[NH3+]	ZINC000261666381	165223244	/nfs/dbraw/zinc/22/32/44/165223244.db2.gz	JUVUAXBIIGFFGQ-STQMWFEESA-N	1	0	339.417	0.694	10	30		ECEERO
C[C@@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@H]1N1CCOCC1	ZINC000246315870	436777571	/nfs/dbraw/zinc/77/75/71/436777571.db2.gz	CUCZNUHKQIJPPR-HZPDHXFCSA-N	1	0	333.436	0.295	10	30		ECEERO
CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1	ZINC000175584620	437108892	/nfs/dbraw/zinc/10/88/92/437108892.db2.gz	NAQGXXGEYJZDFD-MRXNPFEDSA-N	1	0	345.447	0.753	10	30		ECEERO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1	ZINC000177676740	437193471	/nfs/dbraw/zinc/19/34/71/437193471.db2.gz	BLGQQDKOHUSWEL-CQSZACIVSA-N	1	0	330.388	0.594	10	30		ECEERO
CN1CCO[C@@H](C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000179989239	437278892	/nfs/dbraw/zinc/27/88/92/437278892.db2.gz	JLIZAVPZNLUZMR-DLBZAZTESA-N	1	0	328.416	0.974	10	30		ECEERO
O=C(NC[C@@H](O)CN1CCOCC1)c1ccccc1N1CCOCC1	ZINC000330100014	741620234	/nfs/dbraw/zinc/62/02/34/741620234.db2.gz	DIQOVKXYMPKOGV-OAHLLOKOSA-N	1	0	349.431	0.521	10	30		ECEERO
CC[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@@H]1CCCn2nc(C)nc21	ZINC000262826368	254510995	/nfs/dbraw/zinc/51/09/95/254510995.db2.gz	ZYFVUDDDTAGOAN-ZJUUUORDSA-N	1	0	334.346	0.900	10	30		ECEERO
CC[NH+]=C(NCCS(=O)(=O)N1CCSCC1)N[C@@H]1C[C@@H]1C	ZINC000152579151	280839467	/nfs/dbraw/zinc/83/94/67/280839467.db2.gz	KKQUEFMFWDARLV-NWDGAFQWSA-N	1	0	334.511	0.329	10	30		ECEERO
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1	ZINC000105884630	436585514	/nfs/dbraw/zinc/58/55/14/436585514.db2.gz	DYBMAGYDBUGZQS-CQSZACIVSA-N	1	0	334.424	0.619	10	30		ECEERO
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[N@@H+](CC)C2)c1	ZINC000194644870	436669753	/nfs/dbraw/zinc/66/97/53/436669753.db2.gz	WOWZVXQDHDVOHT-OAHLLOKOSA-N	1	0	349.456	0.812	10	30		ECEERO
C#CCNC(=O)c1ccc(N2CC[N@H+](CCOC)[C@@H](CC)C2)nc1	ZINC000174736770	437087265	/nfs/dbraw/zinc/08/72/65/437087265.db2.gz	BSOJAZOWMBBRSB-INIZCTEOSA-N	1	0	330.432	0.992	10	30		ECEERO
C[NH+](C)C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CCO1	ZINC000177676345	437194493	/nfs/dbraw/zinc/19/44/93/437194493.db2.gz	SKDXTUYJWXZEDF-ZDUSSCGKSA-N	1	0	334.351	0.425	10	30		ECEERO
C=CCNC(=O)NC(=O)CN1CC[N@@H+](CCOCC)[C@@H](CC)C1	ZINC000105837507	545739852	/nfs/dbraw/zinc/73/98/52/545739852.db2.gz	FJXXKOAAUYHSMY-AWEZNQCLSA-N	1	0	326.441	0.431	10	30		ECEERO
COC(=O)c1ccc(S(=O)(=O)NCC#CC[NH+]2CCCC2)cc1	ZINC000075164732	608907497	/nfs/dbraw/zinc/90/74/97/608907497.db2.gz	TULFHPRMQOGYIN-UHFFFAOYSA-N	1	0	336.413	0.851	10	30		ECEERO
C[NH+](C)[C@H]1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1	ZINC000170842574	609724373	/nfs/dbraw/zinc/72/43/73/609724373.db2.gz	WTMAIPWXFKWQMT-INIZCTEOSA-N	1	0	341.415	0.916	10	30		ECEERO
COc1cccc(CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)n1	ZINC000262751463	254510353	/nfs/dbraw/zinc/51/03/53/254510353.db2.gz	NNLMUILSPLOJQX-UHFFFAOYSA-N	1	0	341.419	0.560	10	30		ECEERO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000195211634	436682566	/nfs/dbraw/zinc/68/25/66/436682566.db2.gz	DNWQWEZFCIBLBA-OAHLLOKOSA-N	1	0	344.415	0.768	10	30		ECEERO
CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CC1	ZINC000329162060	740440824	/nfs/dbraw/zinc/44/08/24/740440824.db2.gz	FWNHKDMCEMLECP-DZGCQCFKSA-N	1	0	343.493	0.935	10	30		ECEERO
C[C@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@H]1N1CCOCC1	ZINC000246315897	436777873	/nfs/dbraw/zinc/77/78/73/436777873.db2.gz	CUCZNUHKQIJPPR-JKSUJKDBSA-N	1	0	333.436	0.295	10	30		ECEERO
N#Cc1ccc(CNC(=O)C[NH2+][C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)cc1	ZINC000591665295	439053203	/nfs/dbraw/zinc/05/32/03/439053203.db2.gz	VJQDFNCGASBBDB-KSZLIROESA-N	1	0	342.443	0.752	10	30		ECEERO
C[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@@H]1CCCN(c2cnn(C)c2)C1	ZINC000262815994	254511413	/nfs/dbraw/zinc/51/14/13/254511413.db2.gz	WPSYUOWLTCYOKG-PWSUYJOCSA-N	1	0	348.373	0.477	10	30		ECEERO
CC[C@H](O)C[NH+]1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000118858383	221197915	/nfs/dbraw/zinc/19/79/15/221197915.db2.gz	GADWIOASCKPEJU-IRXDYDNUSA-N	1	0	333.432	0.686	10	30		ECEERO
CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@H](C)C#N)CC2)C1	ZINC000248441318	436802777	/nfs/dbraw/zinc/80/27/77/436802777.db2.gz	KETXBJYAAHXWDE-HZPDHXFCSA-N	1	0	337.468	0.582	10	30		ECEERO
C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)CCO1	ZINC000157672171	436831092	/nfs/dbraw/zinc/83/10/92/436831092.db2.gz	DZDNWQKIPRRNCW-CYBMUJFWSA-N	1	0	327.381	0.648	10	30		ECEERO
C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)CC2(C#N)CC2)CC1	ZINC000165550399	436935723	/nfs/dbraw/zinc/93/57/23/436935723.db2.gz	OBHGXKGXMIBZRM-ZDUSSCGKSA-N	1	0	329.466	0.645	10	30		ECEERO
c1csc(-c2nc(=[N+]3CCOCC3)nc(N3CCOCC3)o2)c1	ZINC000575628258	438752316	/nfs/dbraw/zinc/75/23/16/438752316.db2.gz	VHZNABJPDSXAGP-OUKQBFOZSA-N	1	0	335.409	0.017	10	30		ECEERO
C[NH+]=C(NCC1(SC)CCOCC1)N[C@H]1CCc2ncnn2C1	ZINC000130588713	590599354	/nfs/dbraw/zinc/59/93/54/590599354.db2.gz	YBBYJFAYMFBUQB-LBPRGKRZSA-N	1	0	338.481	0.670	10	30		ECEERO
O=C(N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1)c1cccc(C#CCO)c1	ZINC000911418597	609865480	/nfs/dbraw/zinc/86/54/80/609865480.db2.gz	PWLJCPVURKBIOS-KURKYZTESA-N	1	0	328.412	0.748	10	30		ECEERO
CCc1nc2n(n1)C[C@@H](NC(NCC(C)(C)C(=O)NC)=[NH+]C)CC2	ZINC000153925241	609936222	/nfs/dbraw/zinc/93/62/22/609936222.db2.gz	BMVZFVYYRWTPDL-NSHDSACASA-N	1	0	335.456	0.093	10	30		ECEERO