smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)c1cc(O)cc3c1OC(C)(C)C3)C2	ZINC000026940919	202150499	/nfs/dbraw/zinc/15/04/99/202150499.db2.gz	XDBKBIKMLNHPLX-AGUYFDCRSA-N	1	0	330.428	2.461	1	0		EEAFRO
CC(C)[NH2+]C[C@H](O)COc1ccc(OCCCn2cccn2)cc1	ZINC000027556407	202156525	/nfs/dbraw/zinc/15/65/25/202156525.db2.gz	LGGPPIRNVVFQFN-INIZCTEOSA-N	1	0	333.432	2.090	1	0		EEAFRO
C[C@@H]1OC2(CC[NH+](CCc3c[nH]c4ccccc34)CC2)CN(C)C1=O	ZINC000027984118	202162973	/nfs/dbraw/zinc/16/29/73/202162973.db2.gz	HFJULFDBQNGBRF-HNNXBMFYSA-N	1	0	341.455	2.422	1	0		EEAFRO
C[NH+](C)CCN1C(=O)c2c(N)ccc3cc4c(c(c32)C1=O)CCCC4	ZINC000026831304	202149138	/nfs/dbraw/zinc/14/91/38/202149138.db2.gz	GFJKVLJWVNTYQB-UHFFFAOYSA-N	1	0	337.423	2.458	1	0		EEAFRO
S=C(NCC[NH+]1CCCC1)Nc1ccc(Br)cn1	ZINC000027076711	202151557	/nfs/dbraw/zinc/15/15/57/202151557.db2.gz	WSAWNSKJBYHZEP-UHFFFAOYSA-N	1	0	329.267	2.226	1	0		EEAFRO
CC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)/C=C\c3ccccc3)C[C@H]1[N@@H+]2C	ZINC000028525015	202171849	/nfs/dbraw/zinc/17/18/49/202171849.db2.gz	QKTXQEDBXGTOFH-GTUIKHEBSA-N	1	0	329.396	2.410	1	0		EEAFRO
COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[NH2+]CC2)cc1OC	ZINC000028653884	202173548	/nfs/dbraw/zinc/17/35/48/202173548.db2.gz	HNDXSQDAAHOVRN-QZTJIDSGSA-N	1	0	348.487	2.479	1	0		EEAFRO
C[NH+](C)CCN1C(=O)c2cccc3cc4[nH]c(=O)sc4c(c32)C1=O	ZINC000028876740	202178374	/nfs/dbraw/zinc/17/83/74/202178374.db2.gz	WOBXCEFTKOEWGX-UHFFFAOYSA-N	1	0	341.392	2.313	1	0		EEAFRO
CCCC[C@H](Nc1cc(NC(=O)OCC)[nH+]c(N)c1N)[C@@H](C)O	ZINC000027199934	201387268	/nfs/dbraw/zinc/38/72/68/201387268.db2.gz	CTOKUTKEJKJNFE-ZJUUUORDSA-N	1	0	325.413	2.166	1	0		EEAFRO
NC(=[NH2+])SCCCOc1oc(=O)c2cc(N)ccc2c1Cl	ZINC000003799132	201360688	/nfs/dbraw/zinc/36/06/88/201360688.db2.gz	IYKLQEMQEGWXOQ-UHFFFAOYSA-N	1	0	327.793	2.424	1	0		EEAFRO
c1ccc(-c2nnc3c4ccccc4c(N4CC[NH2+]CC4)nn23)cc1	ZINC000103269852	204070249	/nfs/dbraw/zinc/07/02/49/204070249.db2.gz	FDIVMSREIKIVCW-UHFFFAOYSA-N	1	0	330.395	2.354	1	0		EEAFRO
O[C@H]1C[N@H+](Cc2ccc(C3CCCC3)s2)C[C@@H]1N1CCOCC1	ZINC000022919019	202095681	/nfs/dbraw/zinc/09/56/81/202095681.db2.gz	HBCRLYRUVBGIPM-IRXDYDNUSA-N	1	0	336.501	2.283	1	0		EEAFRO
COc1cc2c(cc1OC)[C@@H]1C[C@@]3(CN(C)C(=O)O3)CC[N@@H+]1CC2	ZINC000029221675	202182861	/nfs/dbraw/zinc/18/28/61/202182861.db2.gz	OHKGHMJFMQQDDV-KBXCAEBGSA-N	1	0	332.400	2.218	1	0		EEAFRO
CCn1c2ccccc2n(C(=O)OC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1=O	ZINC000000004621	201357368	/nfs/dbraw/zinc/35/73/68/201357368.db2.gz	JJZXGTBGAPUCHC-PBWFPOADSA-N	1	0	329.400	2.433	1	0	in-vitro	EEAFRO
CC(C)c1cnc(CN(C)[C@@H]2CC[N@H+](CCc3cnn(C)c3)C2)o1	ZINC000078892164	463162007	/nfs/dbraw/zinc/16/20/07/463162007.db2.gz	KDIQIYVCRBIMND-MRXNPFEDSA-N	1	0	331.464	2.280	1	0		EEAFRO
C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc3n[nH]nc3c2)C1C(=O)OC	ZINC000026385870	202143028	/nfs/dbraw/zinc/14/30/28/202143028.db2.gz	ALROTSWWLJVSQV-WTNDLDAUSA-N	1	0	342.355	2.379	1	0		EEAFRO
C[NH+]1CCN(Cc2cccc(-c3nc4c(cccc4C(N)=O)[nH]3)c2)CC1	ZINC000026492683	202143534	/nfs/dbraw/zinc/14/35/34/202143534.db2.gz	JBHCTBKEANVJGQ-UHFFFAOYSA-N	1	0	349.438	2.076	1	0		EEAFRO
CCC[N@H+](CCCS(C)(=O)=O)[C@@H]1CCc2c(O)cccc2C1	ZINC000028010680	202163731	/nfs/dbraw/zinc/16/37/31/202163731.db2.gz	REHXXYIOTYMGDS-OAHLLOKOSA-N	1	0	325.474	2.396	1	0		EEAFRO
CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CC[NH2+]CC2	ZINC000040972539	202468483	/nfs/dbraw/zinc/46/84/83/202468483.db2.gz	JHQGAWPRLWOPNO-UHFFFAOYSA-N	1	0	330.453	2.196	1	0		EEAFRO
CN(C)C(=O)c1ccccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000029554302	202189896	/nfs/dbraw/zinc/18/98/96/202189896.db2.gz	HCYYQRZLXJGERU-AGUYFDCRSA-N	1	0	330.432	2.135	1	0		EEAFRO
COc1ccc(OC)c2c1C[C@H](O)[C@@H]([NH2+]CCc1ccccc1)C2	ZINC000027712373	212573588	/nfs/dbraw/zinc/57/35/88/212573588.db2.gz	YAAPKISLLAABEK-ROUUACIJSA-N	1	0	327.424	2.364	1	0		EEAFRO
CC(C)N1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cn2)CC1	ZINC000071281374	203089465	/nfs/dbraw/zinc/08/94/65/203089465.db2.gz	QARLWQQWNLVURD-UHFFFAOYSA-N	1	0	330.476	2.234	1	0		EEAFRO
CCO[C@H]1O[C@H]2C[NH2+][C@@H]3C[C@H](OC)C=C[C@]32c2cc3c(cc21)OCO3	ZINC000095910442	290969293	/nfs/dbraw/zinc/96/92/93/290969293.db2.gz	DWXXGLPEQMCHLG-PXHCZXJWSA-N	1	0	345.395	2.034	1	0	biogenic,in-vitro	EEAFRO
CC(=O)Nc1ccc(CN2CC[N@@H+](CC(C)C)[C@@H](CCO)C2)cc1	ZINC000022932716	202096112	/nfs/dbraw/zinc/09/61/12/202096112.db2.gz	VFOLNMXCWZJXGM-IBGZPJMESA-N	1	0	333.476	2.170	3	0		EEAFRO
CNC(=O)Nc1c(OC)c2ccoc2c(OC)c1OCC[NH+](C)C	ZINC000029408911	202186694	/nfs/dbraw/zinc/18/66/94/202186694.db2.gz	MTPXQJYDYWYMNG-UHFFFAOYSA-N	1	0	337.376	2.142	1	0		EEAFRO
C[NH2+]C[C@@H](O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1	ZINC000029564602	202189455	/nfs/dbraw/zinc/18/94/55/202189455.db2.gz	OQFALAVCRBVDSL-CQSZACIVSA-N	1	0	325.364	2.419	1	0		EEAFRO
COc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCN(C)C2	ZINC000103242796	204068644	/nfs/dbraw/zinc/06/86/44/204068644.db2.gz	ALSDCLHBWYGJDK-UHFFFAOYSA-N	1	0	345.424	2.096	1	0		EEAFRO
Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2C(=O)N2CCOCC2)[N@@H+]3C)cc1	ZINC000036177318	202318048	/nfs/dbraw/zinc/31/80/48/202318048.db2.gz	SAGKYUWOOFCCBT-YDZRNGNQSA-N	1	0	328.456	2.420	1	0		EEAFRO
O=C(N[C@H]1CC[C@H](O)CC1)[C@H]1Cc2c3ccccc3sc2C[NH2+]1	ZINC000103001094	204058067	/nfs/dbraw/zinc/05/80/67/204058067.db2.gz	MJYWWKXUPZLUQH-TYNCELHUSA-N	1	0	330.453	2.335	1	0		EEAFRO
CC(C)=CCC1=C[C@@](O)(C(=O)OC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[C@H]1O	ZINC000014930170	560227539	/nfs/dbraw/zinc/22/75/39/560227539.db2.gz	WTJGJRJHDRYDGX-RUBXOHKTSA-N	1	0	349.471	2.323	1	0	biogenic,in-vitro	EEAFRO
C[NH2+][C@H]1CCN(c2nc(N)nc3c4ccc(OC)cc4sc32)C1	ZINC000073162457	216358327	/nfs/dbraw/zinc/35/83/27/216358327.db2.gz	BFXKTIHIMJWWLN-VIFPVBQESA-N	1	0	329.429	2.233	1	0		EEAFRO
COc1cc(C)c2nc3n[nH]c(C)c3c(NC[C@H]3C[NH2+]CCO3)c2c1	ZINC000073196883	216362296	/nfs/dbraw/zinc/36/22/96/216362296.db2.gz	MDMMKXOMSGCFKD-CYBMUJFWSA-N	1	0	341.415	2.137	1	0		EEAFRO
O=S(=O)(c1ccc2c(c1)O[C@H]1C[NH2+]CC[C@@H]21)c1cccc(F)c1	ZINC000073197839	216362306	/nfs/dbraw/zinc/36/23/06/216362306.db2.gz	RMRXWRZPFIBGQU-RDJZCZTQSA-N	1	0	333.384	2.496	1	0		EEAFRO
NC(=O)c1cncc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1	ZINC000101363772	219123841	/nfs/dbraw/zinc/12/38/41/219123841.db2.gz	ILSXMIVMEKRQPZ-ZSHCYNCHSA-N	1	0	338.411	2.150	1	0		EEAFRO
C[N@@H+]1CCC=C([C@@H]2CN(C(=S)Nc3ccccc3F)CCO2)C1	ZINC000040875877	213396405	/nfs/dbraw/zinc/39/64/05/213396405.db2.gz	PUTYLQRIQFVFDQ-INIZCTEOSA-N	1	0	335.448	2.485	1	0		EEAFRO
C[N@@H+]1CCC=C([C@@H]2CN(C(=S)Nc3ccc(F)cc3)CCO2)C1	ZINC000040875882	213395874	/nfs/dbraw/zinc/39/58/74/213395874.db2.gz	WKNNFHUIZFRHBO-INIZCTEOSA-N	1	0	335.448	2.485	1	0		EEAFRO
CC(C)[NH2+]C[C@@H](O)COc1ccc(/C=C/CO)cc1Br	ZINC000040632532	213362816	/nfs/dbraw/zinc/36/28/16/213362816.db2.gz	CVOIBIVLYLGZOC-ITDFMYJTSA-N	1	0	344.249	2.192	1	0		EEAFRO
O=C(NCC[NH2+]CCO)c1cccc2ccc(-c3ccccc3)nc21	ZINC000001613468	209766415	/nfs/dbraw/zinc/76/64/15/209766415.db2.gz	INHILYUJPWOEBR-UHFFFAOYSA-N	1	0	335.407	2.214	1	0		EEAFRO
Cc1c2c(c(C)c(O)c1C)[C@@H](C[NH+]1CCN(CCO)CC1)C(C)(C)O2	ZINC000022934286	212337487	/nfs/dbraw/zinc/33/74/87/212337487.db2.gz	TXFFRQXQLQRADA-MRXNPFEDSA-N	1	0	348.487	2.182	1	0		EEAFRO
Nc1nc(-c2ccco2)nc2sc(C[NH+]3CCC(O)CC3)cc21	ZINC000118595912	221160391	/nfs/dbraw/zinc/16/03/91/221160391.db2.gz	KHGJAKBDYWCOCC-UHFFFAOYSA-N	1	0	330.413	2.490	1	0		EEAFRO
C[C@H](O)[C@H](C)OC(=O)[C@@H]1C[C@@H]2c3cccc4[nH]cc(c43)C[C@@H]2[N@H+](C)C1	ZINC000040374155	213293566	/nfs/dbraw/zinc/29/35/66/213293566.db2.gz	GOHDSZGHAHFEHG-NAPGPNBUSA-N	1	0	342.439	2.440	1	0	in-vitro	EEAFRO
C[C@@H](O)[C@H](C)OC(=O)[C@@H]1C[C@@H]2c3cccc4[nH]cc(c43)C[C@@H]2[N@H+](C)C1	ZINC000040374159	213293497	/nfs/dbraw/zinc/29/34/97/213293497.db2.gz	GOHDSZGHAHFEHG-GYJQIRMQSA-N	1	0	342.439	2.440	1	0		EEAFRO
CCCN1C=C2C(=Nc3ccc(F)cc3N=C2N2CC[NH+](C)CC2)N1	ZINC000039336556	213233855	/nfs/dbraw/zinc/23/38/55/213233855.db2.gz	RQHXFSWHDAJVFR-UHFFFAOYSA-N	1	0	342.422	2.261	1	0		EEAFRO
CCCC[N@H+](CC)CCCNC(=O)C[C@H]1Nc2ccccc2NC1=O	ZINC000004056889	210108952	/nfs/dbraw/zinc/10/89/52/210108952.db2.gz	CLMITHKNQUAEQC-QGZVFWFLSA-N	1	0	346.475	2.438	3	0		EEAFRO
CCNc1cc([C@@H]2CCC[NH2+]C2)nc2c(-c3cnn(C)c3)cnn21	ZINC000066100196	215010640	/nfs/dbraw/zinc/01/06/40/215010640.db2.gz	XZMAQRXTUAMTRE-GFCCVEGCSA-N	1	0	325.420	2.029	1	0		EEAFRO
Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)([NH+]2CCCCC2)CC1	ZINC000003641383	210071007	/nfs/dbraw/zinc/07/10/07/210071007.db2.gz	KRBMMTDOLHPSPA-UHFFFAOYSA-N	1	0	331.460	2.417	1	0		EEAFRO
CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)c2cc(C)n[nH]2)C1	ZINC000011664340	211231061	/nfs/dbraw/zinc/23/10/61/211231061.db2.gz	QSVRAGHCOWYAPB-MRXNPFEDSA-N	1	0	327.432	2.240	1	0		EEAFRO
O=C(c1nccs1)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1	ZINC000003949770	210093998	/nfs/dbraw/zinc/09/39/98/210093998.db2.gz	XCPMCXPDLRIOJO-XUXIUFHCSA-N	1	0	333.457	2.238	1	0		EEAFRO
O=C(CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)c1ccc(F)cc1	ZINC000040424203	213302761	/nfs/dbraw/zinc/30/27/61/213302761.db2.gz	OYDHYNPQPQRMCX-DZGCQCFKSA-N	1	0	326.371	2.289	1	0		EEAFRO
Brc1cc(N2CC[C@@H]3C[NH2+][C@@H]3C2)cnc1Br	ZINC000035080282	532959390	/nfs/dbraw/zinc/95/93/90/532959390.db2.gz	VBSTVVDALUYNRL-GMSGAONNSA-N	1	0	347.054	2.405	1	0		EEAFRO
NC(=O)c1cccc2c1C(=O)N(c1cccc(C3CC[NH2+]CC3)c1)C2	ZINC000045364322	581100572	/nfs/dbraw/zinc/10/05/72/581100572.db2.gz	FOQZKROIEDOMGK-UHFFFAOYSA-N	1	0	335.407	2.413	1	0		EEAFRO
CNC(=O)Oc1cccc(-c2c[n+]3c(cccc3NC(C)=O)n2C)c1	ZINC000049045538	213981024	/nfs/dbraw/zinc/98/10/24/213981024.db2.gz	HYLFKWSJNHUCHY-UHFFFAOYSA-O	1	0	339.375	2.107	1	0		EEAFRO
CCOc1cc(OCC[NH+](C)C)nc(NCCCOC(C)C)n1	ZINC000040876381	213396086	/nfs/dbraw/zinc/39/60/86/213396086.db2.gz	WKONIARZIOYCMA-UHFFFAOYSA-N	1	0	326.441	2.043	1	0		EEAFRO
COc1ccc(NCC2C(=O)[O+]=NN2c2ccc(OC)cc2)cc1	ZINC000098085702	219080942	/nfs/dbraw/zinc/08/09/42/219080942.db2.gz	CWKSISGGUMLDDY-UHFFFAOYSA-O	1	0	328.348	2.286	1	0		EEAFRO
CC[NH+](CC)CCN1CCC(c2nc3c(cccc3C(N)=O)[nH]2)CC1	ZINC000040863094	213394988	/nfs/dbraw/zinc/39/49/88/213394988.db2.gz	YFWKBYJZGLOJSM-UHFFFAOYSA-N	1	0	343.475	2.183	1	0		EEAFRO
CN1CC[NH+](Cc2ccc(-c3ccc4ccn(C(N)=O)c4n3)cc2)CC1	ZINC000103236257	219273840	/nfs/dbraw/zinc/27/38/40/219273840.db2.gz	JKGMZEORGIKORD-UHFFFAOYSA-N	1	0	349.438	2.378	1	0		EEAFRO
CSCCOc1ccc2c(N3CC[NH2+]CC3)cc(=O)oc2c1C	ZINC000049942655	132177948	/nfs/dbraw/zinc/17/79/48/132177948.db2.gz	VKYRRPXGGJFIQZ-UHFFFAOYSA-N	1	0	334.441	2.253	1	0		EEAFRO
Cc1nc(NCc2cccc(-n3cncn3)c2)cc([C@H]2CCC[NH2+]C2)n1	ZINC000039551757	213240134	/nfs/dbraw/zinc/24/01/34/213240134.db2.gz	ADWOUEZUHQOIDE-INIZCTEOSA-N	1	0	349.442	2.445	1	0		EEAFRO
C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COC[C@@H]1COc2ccccc2O1	ZINC000011852162	278494172	/nfs/dbraw/zinc/49/41/72/278494172.db2.gz	QSWWVPTUDPLALI-QBPKDAKJSA-N	1	0	335.444	2.467	1	0		EEAFRO
CO[C@@H]1Cc2c(cnn2C)C2(CC[NH+](Cc3ccccc3)CC2)O1	ZINC000072116877	216012695	/nfs/dbraw/zinc/01/26/95/216012695.db2.gz	QHMYMCFFVCWDKG-SFHVURJKSA-N	1	0	327.428	2.457	1	0		EEAFRO
Nc1nc2c3cc(C(F)(F)F)ccc3oc2c(N2CC[NH2+]CC2)n1	ZINC000073195765	216362242	/nfs/dbraw/zinc/36/22/42/216362242.db2.gz	FKSXFVMOLHTXSI-UHFFFAOYSA-N	1	0	337.305	2.387	1	0		EEAFRO
CC[N@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)c2cnsn2)C1	ZINC000012449263	279241672	/nfs/dbraw/zinc/24/16/72/279241672.db2.gz	UOWBRWMOGYBYBQ-AWEZNQCLSA-N	1	0	331.445	2.060	1	0		EEAFRO
COc1cc(C(=O)[C@H]2C[NH+]=C3C=CC=CN3C2)cc(OC)c1OC	ZINC000049803384	214033363	/nfs/dbraw/zinc/03/33/63/214033363.db2.gz	HTBBFYGSKOOECL-ZDUSSCGKSA-N	1	0	328.368	2.309	1	0		EEAFRO
CC[C@@H]1OC2(CC[NH+](CCc3c[nH]c4ccccc34)CC2)CNC1=O	ZINC000027984868	212593001	/nfs/dbraw/zinc/59/30/01/212593001.db2.gz	RUQIRXLHSREWNG-SFHVURJKSA-N	1	0	341.455	2.470	1	0		EEAFRO
CCCC[C@@H](Nc1cc(NC(=O)OCC)[nH+]c(N)c1N)[C@H](C)O	ZINC000027199938	212548957	/nfs/dbraw/zinc/54/89/57/212548957.db2.gz	CTOKUTKEJKJNFE-VHSXEESVSA-N	1	0	325.413	2.166	1	0		EEAFRO
O=C1NCCN1c1ccc(CN2CCC[C@@H]([NH+]3CCCC3)C2)cc1	ZINC000019835979	212074437	/nfs/dbraw/zinc/07/44/37/212074437.db2.gz	BEFRDPNMHZJQJM-GOSISDBHSA-N	1	0	328.460	2.276	1	0		EEAFRO
COc1ccc(C[N@H+]2CCC(=O)N([C@H](CO)CC(C)C)CC2)cc1	ZINC000012474388	211390770	/nfs/dbraw/zinc/39/07/70/211390770.db2.gz	RHMJTBZVILEWKY-KRWDZBQOSA-N	1	0	334.460	2.137	3	0		EEAFRO
O=C(C1CC=CC1)N1C[C@H]2C[N@H+](Cc3ccsc3)CCO[C@@H]2C1	ZINC000299842409	257655459	/nfs/dbraw/zinc/65/54/59/257655459.db2.gz	PQNLJKHVBARITE-IAGOWNOFSA-N	1	0	332.469	2.374	1	0		EEAFRO
COc1ccccc1NC(=S)N1CCO[C@H](C2=CCC[N@H+](C)C2)C1	ZINC000040879898	213396942	/nfs/dbraw/zinc/39/69/42/213396942.db2.gz	FLBPYDBQECBQLV-KRWDZBQOSA-N	1	0	347.484	2.355	1	0		EEAFRO
CCNc1nc(N2CCC[N@H+](C)CC2)nc2cc(OC)c(OC)cc21	ZINC000036382569	213092733	/nfs/dbraw/zinc/09/27/33/213092733.db2.gz	ZPGSQOKCCPVAQI-UHFFFAOYSA-N	1	0	345.447	2.221	1	0		EEAFRO
CC[C@@H]1NC(=O)OC12CC[NH+](C[C@H]1COc3ccccc3O1)CC2	ZINC000028761397	212635158	/nfs/dbraw/zinc/63/51/58/212635158.db2.gz	VVMCXYYGSYAMPN-BBRMVZONSA-N	1	0	332.400	2.179	1	0		EEAFRO
CC(C)n1c2ccccc2cc(C(=O)NCC2CC[NH2+]CC2)c1=O	ZINC000043062911	213555527	/nfs/dbraw/zinc/55/55/27/213555527.db2.gz	ACIVVYHJZPFQCA-UHFFFAOYSA-N	1	0	327.428	2.312	1	0		EEAFRO
CC(C)[NH2+]C[C@H](O)COc1cc(/C=C/CO)ccc1Br	ZINC000040466092	213309186	/nfs/dbraw/zinc/30/91/86/213309186.db2.gz	PFKFARKFEDPQHQ-OOPCZODUSA-N	1	0	344.249	2.192	1	0		EEAFRO
CC(C)OCCCNc1nc(OCCC[NH3+])cc(OC(C)C)n1	ZINC000040874799	213396264	/nfs/dbraw/zinc/39/62/64/213396264.db2.gz	VTMKPTMIBUQWHQ-UHFFFAOYSA-N	1	0	326.441	2.218	1	0		EEAFRO
CCC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(F)c2)C1	ZINC000052913671	214155137	/nfs/dbraw/zinc/15/51/37/214155137.db2.gz	VJANRDVJTYOXQP-LBPRGKRZSA-N	1	0	341.814	2.408	1	0		EEAFRO
c1ccc(CN2CCN(Cc3ccccc3)[C@H](C3=[NH+]CCN3)C2)cc1	ZINC000055906551	214347609	/nfs/dbraw/zinc/34/76/09/214347609.db2.gz	LWONSXGMCCEMHH-FQEVSTJZSA-N	1	0	334.467	2.375	1	0		EEAFRO
COc1cc(C(=O)O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(OC)c1OC	ZINC000103230658	219272093	/nfs/dbraw/zinc/27/20/93/219272093.db2.gz	DJIVYOZJUUNZBB-WDNDVIMCSA-N	1	0	335.400	2.494	1	0		EEAFRO
CC[NH+](CC)CCN1C(=O)C[C@]2(CCCc3ccc(O)cc32)C1=O	ZINC000027564653	212565369	/nfs/dbraw/zinc/56/53/69/212565369.db2.gz	JZOLXFROHRHOEF-IBGZPJMESA-N	1	0	330.428	2.067	1	0		EEAFRO
CC(C)Cn1c2ccccc2nc1CN1CC[N@H+](C)[C@@H](CCO)C1	ZINC000022926633	212335734	/nfs/dbraw/zinc/33/57/34/212335734.db2.gz	VVMOPJSIDOESHF-INIZCTEOSA-N	1	0	330.476	2.191	3	0		EEAFRO
Nc1c2c(c(C(=O)NCCC[NH+]3CCCCC3)cc1Cl)OCC2	ZINC000001893445	518197757	/nfs/dbraw/zinc/19/77/57/518197757.db2.gz	GCMVERBHWCIKRR-UHFFFAOYSA-N	1	0	337.851	2.463	1	0		EEAFRO
COc1cc2c(cc1OC)[C@]13C[C@@H](OC)CCC1=CC[N@@H+]3C[C@H]2O	ZINC000084153817	560046265	/nfs/dbraw/zinc/04/62/65/560046265.db2.gz	OKOWTOMZIDGJAC-CRFBAAHOSA-N	1	0	331.412	2.387	1	0	biogenic,in-vitro	EEAFRO
COCCc1ncc(CN2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)cn1	ZINC000055072622	214269710	/nfs/dbraw/zinc/26/97/10/214269710.db2.gz	YMUXLZJXHPWBAB-FQEVSTJZSA-N	1	0	344.503	2.363	1	0		EEAFRO
CC[NH2+][C@H](C)CN1CCc2c3cc(OC)c(OC)cc3oc(=O)c2C1	ZINC000027742726	212575224	/nfs/dbraw/zinc/57/52/24/212575224.db2.gz	CMAIJBPTLSJZBL-GFCCVEGCSA-N	1	0	346.427	2.166	1	0		EEAFRO
O=C(c1ccncc1)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC000299842208	257655612	/nfs/dbraw/zinc/65/56/12/257655612.db2.gz	LROYFULYDRDHGY-WMZOPIPTSA-N	1	0	341.386	2.198	1	0		EEAFRO
CCCn1cc(C(=O)[O-])c(=O)c2ccc(N3C[C@@H](C)[NH2+][C@H](C)C3)cc21	ZINC000103286543	219282940	/nfs/dbraw/zinc/28/29/40/219282940.db2.gz	QBESLSOIJXVULU-CHWSQXEVSA-N	1	0	343.427	2.296	1	0		EEAFRO
Cc1ccc(OCCCON2C(=N)NC(=[NH2+])NC23CCCCC3)cc1	ZINC000072106798	216009624	/nfs/dbraw/zinc/00/96/24/216009624.db2.gz	MHZXFDNXEPOLRQ-UHFFFAOYSA-N	1	0	345.447	2.301	1	0		EEAFRO
C[N@H+](Cc1cnc(N)nc1)[C@@H]1CCCN(Cc2ccccc2F)C1	ZINC000020205938	212112582	/nfs/dbraw/zinc/11/25/82/212112582.db2.gz	ILFLCUMMLLHEFT-MRXNPFEDSA-N	1	0	329.423	2.294	1	0		EEAFRO
C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc(N)c(N)c2)C1C(=O)OC	ZINC000100028543	219088712	/nfs/dbraw/zinc/08/87/12/219088712.db2.gz	BTVDQFQGKYHRQR-XERWBJCMSA-N	1	0	331.372	2.272	1	0		EEAFRO
CSCO[C@H]1C=C2CC[N@@H+]3Cc4cc5c(cc4[C@@H]([C@@H]23)[C@@H]1O)OCO5	ZINC000103268994	219280555	/nfs/dbraw/zinc/28/05/55/219280555.db2.gz	NPNYNQBJHKFRMK-WNRNVDISSA-N	1	0	347.436	2.093	1	0		EEAFRO
C[NH+](C)CCn1cc(S(=O)(=O)c2ccccc2)c2cnccc21	ZINC000038692367	213221122	/nfs/dbraw/zinc/22/11/22/213221122.db2.gz	KYBXMCTVFYOUEH-UHFFFAOYSA-N	1	0	329.425	2.431	1	0		EEAFRO
COC(=O)c1[nH]c2ccccc2c1NC(=O)CC[NH+]1CCSCC1	ZINC000004337430	210174956	/nfs/dbraw/zinc/17/49/56/210174956.db2.gz	HMHPERNULMFPHQ-UHFFFAOYSA-N	1	0	347.440	2.332	3	0		EEAFRO
CCCC[C@@H](O)[C@H](C)Nc1cc(NC(=O)OCC)[nH+]c(N)c1N	ZINC000027196335	212549291	/nfs/dbraw/zinc/54/92/91/212549291.db2.gz	ZCFLBEDPPVQBNA-GXSJLCMTSA-N	1	0	325.413	2.166	1	0		EEAFRO
COc1ccc(N2C[C@H](C[NH3+])[C@@H](c3cc(F)ccc3F)CC2=O)cn1	ZINC000169312407	534020911	/nfs/dbraw/zinc/02/09/11/534020911.db2.gz	NKEXHLNBBIIVHY-FZMZJTMJSA-N	1	0	347.365	2.464	1	0		EEAFRO
CN1[C@@H](c2ccccc2F)[C@@H](C[NH2+]Cc2ccc(CO)o2)C[C@H]1CO	ZINC000039372146	213234976	/nfs/dbraw/zinc/23/49/76/213234976.db2.gz	PRIJUVPQAMZNNT-BIENJYKASA-N	1	0	348.418	2.055	1	0		EEAFRO
CC[C@H]1NC(=O)COC12CC[NH+](CCc1c[nH]c3ccccc13)CC2	ZINC000027996293	212593800	/nfs/dbraw/zinc/59/38/00/212593800.db2.gz	SFGVJXHPRDRVKE-GOSISDBHSA-N	1	0	341.455	2.470	1	0		EEAFRO
Oc1ccc2c(c1)OC[C@@H]([NH+]1CCC(O)(c3ccccc3)CC1)[C@H]2O	ZINC000004637986	210234638	/nfs/dbraw/zinc/23/46/38/210234638.db2.gz	CUYIBIIXRWZLMQ-MJGOQNOKSA-N	1	0	341.407	2.170	1	0		EEAFRO
CC(C)[NH2+]CCNc1ncnc2c1ncn2Cc1ccc(F)cc1	ZINC000040848943	213393253	/nfs/dbraw/zinc/39/32/53/213393253.db2.gz	VNIWVQMIGOVSNM-UHFFFAOYSA-N	1	0	328.395	2.424	1	0		EEAFRO
CC(C)[NH+]1CCN(C(=O)N2CCC(C(=O)OC(C)(C)C)CC2)CC1	ZINC000036188085	213076328	/nfs/dbraw/zinc/07/63/28/213076328.db2.gz	GDAGKQMCMNZJDE-UHFFFAOYSA-N	1	0	339.480	2.186	1	0		EEAFRO
Cc1cccc(Nc2nc(NC[C@H]3CCCC[NH2+]3)ncc2C(N)=O)c1	ZINC000072124971	216017110	/nfs/dbraw/zinc/01/71/10/216017110.db2.gz	CGICNRPZUNAYAP-CQSZACIVSA-N	1	0	340.431	2.182	1	0		EEAFRO
O=c1c(Br)cc(Br)c2n1C[C@H]1C[NH2+]C[C@@H]2C1	ZINC000026181349	212509850	/nfs/dbraw/zinc/50/98/50/212509850.db2.gz	UIRFWXCFBPYLDL-RQJHMYQMSA-N	1	0	348.038	2.080	1	0		EEAFRO
O=S(=O)(c1ccc(F)cc1)c1ccc2c(c1)O[C@H]1C[NH2+]CC[C@@H]21	ZINC000073198643	216362094	/nfs/dbraw/zinc/36/20/94/216362094.db2.gz	LYCCDSLTRIMYHD-RDJZCZTQSA-N	1	0	333.384	2.496	1	0		EEAFRO
NC(=[NH2+])c1ccc(CC[C@@H](CC(=O)[O-])c2cccc(C(N)=[NH2+])c2)cc1	ZINC000013776608	211636628	/nfs/dbraw/zinc/63/66/28/211636628.db2.gz	CZMBCKCIGRXHMR-HNNXBMFYSA-N	1	0	338.411	2.446	1	0		EEAFRO
C[C@@H](Cc1ccc2c(c1)OCO2)c1cn(CC[NH+]2CCCC2)nn1	ZINC000091858367	218077957	/nfs/dbraw/zinc/07/79/57/218077957.db2.gz	RFUJJTNBNFZVIT-AWEZNQCLSA-N	1	0	328.416	2.449	1	0		EEAFRO
OCc1ccc(C[NH+]2CCC(n3cc(-c4ccccn4)nn3)CC2)o1	ZINC000023429660	212376993	/nfs/dbraw/zinc/37/69/93/212376993.db2.gz	JHNCIAIZVSZWMJ-UHFFFAOYSA-N	1	0	339.399	2.263	1	0		EEAFRO
C1CC[C@H]2S[C@@H](NC3=[NH+]CN(C4CCCCCC4)CN3)N[C@@H]2C1	ZINC000169300421	526423092	/nfs/dbraw/zinc/42/30/92/526423092.db2.gz	VWYPFCRPUPGYHO-BFYDXBDKSA-N	1	0	337.537	2.406	1	0		EEAFRO
CO[C@H]1Cc2c(cnn2C)C2(CC[NH+](Cc3ccccc3)CC2)O1	ZINC000053295954	214175737	/nfs/dbraw/zinc/17/57/37/214175737.db2.gz	QHMYMCFFVCWDKG-GOSISDBHSA-N	1	0	327.428	2.457	1	0		EEAFRO
CC(C)[NH+]1CCC(Oc2ccc(C3=NNC(=O)[C@H]4C[C@@H]34)cc2)CC1	ZINC000103260404	219277876	/nfs/dbraw/zinc/27/78/76/219277876.db2.gz	ODCFXBPEVBNSRH-SJORKVTESA-N	1	0	327.428	2.408	1	0		EEAFRO
C[C@]12C(=O)N(CC[NH3+])C(=O)[C@H]1C1c3ccccc3C2c2ccccc21	ZINC000001620039	209767873	/nfs/dbraw/zinc/76/78/73/209767873.db2.gz	BWXOIMSWNBJEFJ-YMPMHWPESA-N	1	0	332.403	2.227	1	0		EEAFRO
O=C1NC(=O)c2c1c1c(cc2[C@@H]2CCC[NH2+]C2)[nH]c2ccc(O)cc21	ZINC000036161188	213074823	/nfs/dbraw/zinc/07/48/23/213074823.db2.gz	XYFALEZTWVAUGS-SECBINFHSA-N	1	0	335.363	2.377	1	0		EEAFRO
C[N@H+](CCNC(=O)c1nc(-c2cccnc2)no1)C1CCCCC1	ZINC000009405781	211079656	/nfs/dbraw/zinc/07/96/56/211079656.db2.gz	VICZNZRPJALAQN-UHFFFAOYSA-N	1	0	329.404	2.126	1	0		EEAFRO
O=C(C[NH+]1CCCCC1)N1CCc2[nH]c(=O)c3ccccc3c2C1	ZINC000013536329	581101378	/nfs/dbraw/zinc/10/13/78/581101378.db2.gz	DVCYWBDLOKGAHM-UHFFFAOYSA-N	1	0	325.412	2.311	1	0		EEAFRO
CC1(C)[C@@H](n2cnc3ccccc3c2=O)C=C[C@@H]2[C@@H](O)CCC[N@@H+]21	ZINC000026574211	202145656	/nfs/dbraw/zinc/14/56/56/202145656.db2.gz	OZBWFXXASLWIRC-IKGGRYGDSA-N	1	0	325.412	2.111	1	0		EEAFRO
CCCc1c[nH]c([C@@H]2Cc3cc(OC)ccc3N2C(=O)[C@H](C)[NH3+])n1	ZINC000027519720	202156114	/nfs/dbraw/zinc/15/61/14/202156114.db2.gz	ARUVKVSJIGMFGP-ZBEGNZNMSA-N	1	0	328.416	2.348	1	0		EEAFRO
CC(C)(C)[NH2+]CC(=O)N1CC[C@H]1C(=O)c1nc2ccccc2s1	ZINC000028455271	202171405	/nfs/dbraw/zinc/17/14/05/202171405.db2.gz	YOKPIHSZQNQBJC-LBPRGKRZSA-N	1	0	331.441	2.468	1	0		EEAFRO
[NH3+]C[C@@H]1C[C@@]1(C(=O)[C@@H]1NCc2ccccc21)c1ccc2c(c1)OCO2	ZINC000029047606	202180272	/nfs/dbraw/zinc/18/02/72/202180272.db2.gz	JMLINUIVZHMJBT-BOUXLOLZSA-N	1	0	336.391	2.045	1	0		EEAFRO
CCNc1cc(N2CC[NH2+]CC2)ccc1S(=O)(=O)c1ccccc1	ZINC000034029600	202271921	/nfs/dbraw/zinc/27/19/21/202271921.db2.gz	KGAAVMQKNCVQOT-UHFFFAOYSA-N	1	0	345.468	2.361	1	0		EEAFRO
CSc1ncnc2c1ncn2CCC[NH2+]CCc1ccccn1	ZINC000061922444	202793377	/nfs/dbraw/zinc/79/33/77/202793377.db2.gz	FUMPMMNEZFMENY-UHFFFAOYSA-N	1	0	328.445	2.166	3	0		EEAFRO
CCN(CC[NH+](C)C)C(=O)Cn1ncc2c1-c1cc(C)ccc1OC2	ZINC000005083558	276344271	/nfs/dbraw/zinc/34/42/71/276344271.db2.gz	RWCDEBUGRIQNTE-UHFFFAOYSA-N	1	0	342.443	2.161	3	0		EEAFRO
COc1cc(Cc2c(N)nc(N)[nH+]c2C(C)C)cc(OC)c1OC	ZINC000027622065	202158166	/nfs/dbraw/zinc/15/81/66/202158166.db2.gz	FHZLEVIYCGZFDY-UHFFFAOYSA-N	1	0	332.404	2.381	1	0		EEAFRO
NC(=[NH2+])c1ccc(N2CCC3(CC2)CC[NH+](CCC(=O)[O-])CC3)cc1	ZINC000028265603	202168285	/nfs/dbraw/zinc/16/82/85/202168285.db2.gz	AGKRCMBLMYQQBU-UHFFFAOYSA-N	1	0	344.459	2.128	1	0		EEAFRO
C[NH+](C)CCC1=CN2[C@H]3C1=CC=C[C@@H]3c1ccccc1S2(=O)=O	ZINC000036093376	202314353	/nfs/dbraw/zinc/31/43/53/202314353.db2.gz	GKINOYVCIYGDGT-AEFFLSMTSA-N	1	0	328.437	2.489	1	0		EEAFRO
O=C1Nc2c(CC3=CC[NH2+]C3)ccnc2N(C2CC2)c2ncccc21	ZINC000005933753	201667484	/nfs/dbraw/zinc/66/74/84/201667484.db2.gz	NSLHNWSWQSHNCB-UHFFFAOYSA-N	1	0	333.395	2.415	1	0		EEAFRO
Cc1ccc(N2CC[NH+](CCOc3ccccc3C(N)=O)CC2)cc1	ZINC000103203957	204067267	/nfs/dbraw/zinc/06/72/67/204067267.db2.gz	QWWRAVKGUGDYJJ-UHFFFAOYSA-N	1	0	339.439	2.295	1	0		EEAFRO
c1nc(Nc2cccc(N3CC[NH2+]CC3)n2)sc1-c1cncnc1	ZINC000034837786	132388534	/nfs/dbraw/zinc/38/85/34/132388534.db2.gz	UOSJYZIEZUKMHD-UHFFFAOYSA-N	1	0	339.428	2.148	1	0		EEAFRO
CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]1C(=O)c1nc2ccccc2s1	ZINC000028395368	202170770	/nfs/dbraw/zinc/17/07/70/202170770.db2.gz	WXLHATMSVASNCW-JKOKRWQUSA-N	1	0	331.441	2.453	1	0		EEAFRO
CS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CC[NH2+]C1	ZINC000040405856	202437766	/nfs/dbraw/zinc/43/77/66/202437766.db2.gz	HUGQKIWTNMQGCP-KRWDZBQOSA-N	1	0	330.453	2.477	1	0		EEAFRO
C[NH2+]Cc1cc(-c2ccc3c(N)cc4n[nH]c(=O)n4c3c2)cs1	ZINC000084603666	203533051	/nfs/dbraw/zinc/53/30/51/203533051.db2.gz	BTOFBNDATQTFJU-UHFFFAOYSA-N	1	0	325.397	2.206	1	0		EEAFRO
O=C1CC[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CC[N@@H+]3CC2CC2)[C@H]1O5	ZINC000029234664	202183144	/nfs/dbraw/zinc/18/31/44/202183144.db2.gz	XNXORWDKIQPSNX-BBNYVJOESA-N	1	0	325.408	2.411	1	0		EEAFRO
Cn1c(-c2ccc3nccnc3c2)c(-c2cccc(C[NH3+])c2)c(=O)n1C	ZINC000045364760	202549993	/nfs/dbraw/zinc/54/99/93/202549993.db2.gz	WRELHPHKXOUWPP-UHFFFAOYSA-N	1	0	345.406	2.460	1	0		EEAFRO
C[NH+](C)CCN1C(=O)c2cccc3c(-n4cccn4)ccc(c32)C1=O	ZINC000103230297	204066831	/nfs/dbraw/zinc/06/68/31/204066831.db2.gz	QUYZTGDUYNTKBR-UHFFFAOYSA-N	1	0	334.379	2.183	1	0		EEAFRO
CC(C)(Cc1ccc(O)cc1)[NH2+]C[C@H](O)c1cc(O)cc(CO)c1	ZINC000026727780	202147645	/nfs/dbraw/zinc/14/76/45/202147645.db2.gz	YXCUUNAFBWDDQN-SFHVURJKSA-N	1	0	331.412	2.234	1	0		EEAFRO
CN([C@@H]1CC[N@@H+]2CCc3ccccc3[C@@H]2C1)S(=O)(=O)N1CCCC1	ZINC000029216351	202183384	/nfs/dbraw/zinc/18/33/84/202183384.db2.gz	PDYPHDGHRXHNNJ-AEFFLSMTSA-N	1	0	349.500	2.021	1	0		EEAFRO
O=C1NC(=O)c2c1c1c(cc2[C@H]2CCC[NH2+]C2)[nH]c2ccc(O)cc21	ZINC000036161192	202317913	/nfs/dbraw/zinc/31/79/13/202317913.db2.gz	XYFALEZTWVAUGS-VIFPVBQESA-N	1	0	335.363	2.377	1	0		EEAFRO
O=C(/C=C/c1ccco1)Nc1ccc(O)c(NC(=O)[C@@H]2CCC[NH2+]2)c1	ZINC000103177647	204064249	/nfs/dbraw/zinc/06/42/49/204064249.db2.gz	IFEPWEAGLDRSND-OWNNVSBGSA-N	1	0	341.367	2.328	1	0		EEAFRO
C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCC[N@H+](C)C2)C1=O	ZINC000026385377	202142688	/nfs/dbraw/zinc/14/26/88/202142688.db2.gz	JEBIQDWUBWGGRV-KBPBESRZSA-N	1	0	344.411	2.085	1	0		EEAFRO
C[C@@H](NC(=O)c1cccnc1)[C@@H](c1ccccc1)N1CC[NH+](C)CC1	ZINC000022036692	202077929	/nfs/dbraw/zinc/07/79/29/202077929.db2.gz	GGYDJTNPUODFMX-APWZRJJASA-N	1	0	338.455	2.189	3	0		EEAFRO
CC(C)[NH2+]C[C@@H](O)COc1ccc(OCn2cc(Cl)cn2)cc1	ZINC000027557704	202157131	/nfs/dbraw/zinc/15/71/31/202157131.db2.gz	XBXCXVQUOJNTOG-CQSZACIVSA-N	1	0	339.823	2.311	1	0		EEAFRO
CC(C)[NH2+]C[C@H](O)COc1ccc(SCCn2cccn2)cc1	ZINC000027559680	202158159	/nfs/dbraw/zinc/15/81/59/202158159.db2.gz	VMJMCQXWQZIHJH-HNNXBMFYSA-N	1	0	335.473	2.413	1	0		EEAFRO
CC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)NCC[NH+](C)C)C[C@H]1C(C)C	ZINC000030880333	202200778	/nfs/dbraw/zinc/20/07/78/202200778.db2.gz	MOSKAHDRDSYXQM-BZSNNMDCSA-N	1	0	337.508	2.045	1	0		EEAFRO
O=C(Nc1cc(F)cc(F)c1)c1cncc(N2C[C@H]3C[NH2+]C[C@H]3C2)c1	ZINC000073170087	203258950	/nfs/dbraw/zinc/25/89/50/203258950.db2.gz	NDIIIBWDLSHXIG-BETUJISGSA-N	1	0	344.365	2.268	1	0		EEAFRO
CCOC(=O)C1=C(O)C[C@]23CC[N@H+](C)[C@H](Cc4ccc(O)cc42)[C@H]3C1	ZINC000028115237	202165395	/nfs/dbraw/zinc/16/53/95/202165395.db2.gz	XUOQREZRAUHJRW-CNVJLJKISA-N	1	0	343.423	2.049	1	0		EEAFRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)cc2c1OCCN2C	ZINC000028250152	202167632	/nfs/dbraw/zinc/16/76/32/202167632.db2.gz	BKZJUXQQYKNDDO-CYBMUJFWSA-N	1	0	337.851	2.383	1	0		EEAFRO
Cc1ccccc1CNC(=O)c1cncc(N2CC[C@H]3C[NH2+]C[C@H]32)c1	ZINC000073224239	203260611	/nfs/dbraw/zinc/26/06/11/203260611.db2.gz	UFYPVNXQXZLGCA-QFBILLFUSA-N	1	0	336.439	2.118	1	0		EEAFRO
COc1cc2c(cc1OC)[C@]13C[C@@H](OC)[C@@H](O)C=C1CC[N@@H+]3CCC2	ZINC000014440758	560221455	/nfs/dbraw/zinc/22/14/55/560221455.db2.gz	ZBIQTIQJLXNQFZ-DBVUQKKJSA-N	1	0	345.439	2.257	1	0	biogenic,in-vitro	EEAFRO
O=C(c1csnn1)N1CCC[C@@]2(CC[N@H+](Cc3ccncc3)C2)C1	ZINC000003956249	210095633	/nfs/dbraw/zinc/09/56/33/210095633.db2.gz	HBEIXDKTEYFLAR-KRWDZBQOSA-N	1	0	343.456	2.061	1	0		EEAFRO
COc1cc2c(cc1OC)CN(C(=O)N1CC[NH+](C(C)C)CC1)CC2	ZINC000036188091	213076189	/nfs/dbraw/zinc/07/61/89/213076189.db2.gz	PMFZSFXXKBALEZ-UHFFFAOYSA-N	1	0	347.459	2.208	1	0		EEAFRO
CC(C)n1c2ccccc2n(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1=O	ZINC000101798325	219165746	/nfs/dbraw/zinc/16/57/46/219165746.db2.gz	WRUHWXYQMLEWKR-WDNDVIMCSA-N	1	0	328.416	2.225	1	0		EEAFRO
C[NH+](C)CCN1C(=O)c2cccc3cc4nc(N)sc4c(c32)C1=O	ZINC000028342416	212616285	/nfs/dbraw/zinc/61/62/85/212616285.db2.gz	CVJHVEKGIYGWFX-UHFFFAOYSA-N	1	0	340.408	2.189	1	0	in-vivo	EEAFRO
CC[N@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)c2cc(C)n[nH]2)C1	ZINC000011664341	279241636	/nfs/dbraw/zinc/24/16/36/279241636.db2.gz	QSVRAGHCOWYAPB-INIZCTEOSA-N	1	0	327.432	2.240	1	0		EEAFRO
COc1cc(C(=O)O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(OC)c1OC	ZINC000103227327	219273010	/nfs/dbraw/zinc/27/30/10/219273010.db2.gz	DJIVYOZJUUNZBB-BTTYYORXSA-N	1	0	335.400	2.494	1	0		EEAFRO
C1CC[C@@H]2S[C@@H](NC3=[NH+]CN(C4CCCCCC4)CN3)N[C@@H]2C1	ZINC000072104351	216008061	/nfs/dbraw/zinc/00/80/61/216008061.db2.gz	VWYPFCRPUPGYHO-HLLBOEOZSA-N	1	0	337.537	2.406	1	0		EEAFRO
CN(C)CC[NH2+]C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1	ZINC000022872561	212330823	/nfs/dbraw/zinc/33/08/23/212330823.db2.gz	GQDCCQZLTJWGAC-LJQANCHMSA-N	1	0	338.451	2.439	1	0		EEAFRO
NC(=O)c1cccc2c1C(=O)N(c1ccc(C3CC[NH2+]CC3)cc1)C2	ZINC000045389545	581100580	/nfs/dbraw/zinc/10/05/80/581100580.db2.gz	SVLUTWSLJSIAFX-UHFFFAOYSA-N	1	0	335.407	2.413	1	0		EEAFRO
C[NH+](C)CCCCN1C(=O)C[C@]2(CCCc3ccc(O)cc32)C1=O	ZINC000003631742	210068650	/nfs/dbraw/zinc/06/86/50/210068650.db2.gz	UBEHQYMQRWDKNH-IBGZPJMESA-N	1	0	330.428	2.067	1	0		EEAFRO
[NH3+]CCn1cc(S(=O)(=O)c2cccc(Cl)c2)c2cccnc21	ZINC000038928649	213230361	/nfs/dbraw/zinc/23/03/61/213230361.db2.gz	XGXHANFTDNWBFA-UHFFFAOYSA-N	1	0	335.816	2.481	1	0		EEAFRO
C[NH+](C)CCC1=CN2[C@@H]3C1=CC=C[C@@H]3c1ccccc1S2(=O)=O	ZINC000036093375	213062880	/nfs/dbraw/zinc/06/28/80/213062880.db2.gz	GKINOYVCIYGDGT-SJLPKXTDSA-N	1	0	328.437	2.489	1	0		EEAFRO
C[NH2+]CCOc1nc2nc(C)cc(Nc3ccc(Cl)cc3)n2n1	ZINC000073310683	216377093	/nfs/dbraw/zinc/37/70/93/216377093.db2.gz	AOCVFQKZQCSCBM-UHFFFAOYSA-N	1	0	332.795	2.428	1	0		EEAFRO
CN1CC[NH+](Cc2ccc(-c3nc4c(cccc4C(N)=O)[nH]3)cc2)CC1	ZINC000026489932	581098813	/nfs/dbraw/zinc/09/88/13/581098813.db2.gz	FIYMDYYTMPMPSL-UHFFFAOYSA-N	1	0	349.438	2.076	1	0		EEAFRO
CCC[N@@H+]1C[C@@H](Cn2cccn2)O[C@@H]2Cc3c(O)cccc3C[C@H]21	ZINC000103224174	219271876	/nfs/dbraw/zinc/27/18/76/219271876.db2.gz	VGUCRFZEXJNJAG-KVSKMBFKSA-N	1	0	327.428	2.236	1	0		EEAFRO
CCOc1cc(OCCCC[NH3+])nc(NCCCOC(C)C)n1	ZINC000040878420	213396049	/nfs/dbraw/zinc/39/60/49/213396049.db2.gz	BERPNZOWCUHWBT-UHFFFAOYSA-N	1	0	326.441	2.220	1	0		EEAFRO
NC(=[NH2+])NC[C@@H]1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21	ZINC000035900027	213051383	/nfs/dbraw/zinc/05/13/83/213051383.db2.gz	AKHFOAQLUXPFBJ-AWEZNQCLSA-N	1	0	343.452	2.422	1	0		EEAFRO
C[C@@H](c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CC[NH2+]CC1	ZINC000026293784	212514604	/nfs/dbraw/zinc/51/46/04/212514604.db2.gz	WBQUFHUILUVRPB-HNNXBMFYSA-N	1	0	330.453	2.486	1	0		EEAFRO
O=C(N[C@@H]1CCc2ccccc21)c1cncc(N2C[C@H]3C[NH2+]C[C@H]3C2)c1	ZINC000073196755	216362650	/nfs/dbraw/zinc/36/26/50/216362650.db2.gz	JRBPWKGPYGZYOP-FUHIMQAGSA-N	1	0	348.450	2.155	1	0		EEAFRO
CC(C)(CNC(=O)Cc1ccccc1)[NH2+]C[C@H](O)c1ccccc1	ZINC000040504358	213325870	/nfs/dbraw/zinc/32/58/70/213325870.db2.gz	RFFZVJURAULFTN-SFHVURJKSA-N	1	0	326.440	2.447	1	0		EEAFRO
CCn1c2cccc(F)c2n([C@@H](c2ccccc2)[C@H](O)C[NH2+]C)c1=O	ZINC000034600056	212979706	/nfs/dbraw/zinc/97/97/06/212979706.db2.gz	AJLUMLBNDXXSIW-SJORKVTESA-N	1	0	343.402	2.132	1	0		EEAFRO
[NH3+]C[C@H](CC(=O)[O-])c1ccc(Cl)c(OCC2CC[NH2+]CC2)c1	ZINC000073138753	216354739	/nfs/dbraw/zinc/35/47/39/216354739.db2.gz	UCLRKKBXBSYHEU-ZDUSSCGKSA-N	1	0	326.824	2.235	1	0		EEAFRO
Nc1nc2c(oc3cccc(C(F)(F)F)c32)c(N2CC[NH2+]CC2)n1	ZINC000073195764	216361863	/nfs/dbraw/zinc/36/18/63/216361863.db2.gz	HDWGNZSHRFNVHN-UHFFFAOYSA-N	1	0	337.305	2.387	1	0		EEAFRO
COc1cc(C)c2nc3n[nH]c(C)c3c(NC[C@@H]3C[NH2+]CCO3)c2c1	ZINC000073196882	216362342	/nfs/dbraw/zinc/36/23/42/216362342.db2.gz	MDMMKXOMSGCFKD-ZDUSSCGKSA-N	1	0	341.415	2.137	1	0		EEAFRO
O=C(CC[NH+]1CCCCC1)N1CCc2c3ccccc3c(=O)[nH]c2C1	ZINC000013536347	581101393	/nfs/dbraw/zinc/10/13/93/581101393.db2.gz	YQAGSJWYTQNVHL-UHFFFAOYSA-N	1	0	339.439	2.289	1	0		EEAFRO
O=C(Nc1ccc(Cl)c(F)c1)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1	ZINC000052913599	214155436	/nfs/dbraw/zinc/15/54/36/214155436.db2.gz	JSEOESVFYKWYEF-LLVKDONJSA-N	1	0	339.798	2.209	1	0		EEAFRO
COc1ccc(NC(=S)N2CCO[C@H](C3=CCC[N@H+](C)C3)C2)cc1	ZINC000040879915	213397891	/nfs/dbraw/zinc/39/78/91/213397891.db2.gz	FRVVRIWPLGATRV-KRWDZBQOSA-N	1	0	347.484	2.355	1	0		EEAFRO
CC(C)(CNC(=O)Cc1ccccc1)[NH2+]C[C@@H](O)c1ccccc1	ZINC000040504361	213325736	/nfs/dbraw/zinc/32/57/36/213325736.db2.gz	RFFZVJURAULFTN-GOSISDBHSA-N	1	0	326.440	2.447	1	0		EEAFRO
C[C@H](Cc1ccc2c(c1)OCO2)c1cn(CC[NH+]2CCCC2)nn1	ZINC000091858371	218078887	/nfs/dbraw/zinc/07/88/87/218078887.db2.gz	RFUJJTNBNFZVIT-CQSZACIVSA-N	1	0	328.416	2.449	1	0		EEAFRO
Cc1noc(C)c1C[N@@H+]1CC[C@H]2[C@@H]1CCC(=O)N2CC1CCOCC1	ZINC000096064694	218559255	/nfs/dbraw/zinc/55/92/55/218559255.db2.gz	FNGIKFJLPGWPAB-ROUUACIJSA-N	1	0	347.459	2.283	1	0		EEAFRO
C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCC[N@H+](C)C2)C1=O	ZINC000100824875	219107789	/nfs/dbraw/zinc/10/77/89/219107789.db2.gz	JEBIQDWUBWGGRV-KGLIPLIRSA-N	1	0	344.411	2.085	1	0		EEAFRO
COc1cc(CC[NH2+]CCc2cnc(N)s2)cc(OC)c1OC	ZINC000026385343	212517626	/nfs/dbraw/zinc/51/76/26/212517626.db2.gz	KHHQAWYGAVNFEH-UHFFFAOYSA-N	1	0	337.445	2.126	1	0		EEAFRO
C[NH2+][C@@H](C)Cc1cc(OC)c(I)cc1OC	ZINC000026016008	212505522	/nfs/dbraw/zinc/50/55/22/212505522.db2.gz	UFHCKYRPMINDBF-QMMMGPOBSA-N	1	0	335.185	2.459	1	0		EEAFRO
O=C(Nc1ccc(Cl)c(F)c1)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1	ZINC000052913601	214154686	/nfs/dbraw/zinc/15/46/86/214154686.db2.gz	JSEOESVFYKWYEF-NSHDSACASA-N	1	0	339.798	2.209	1	0		EEAFRO
Cc1nc([C@H]2CCC[NH2+]C2)cc(N(Cc2nccn2C)C2CC2)n1	ZINC000067714241	215193796	/nfs/dbraw/zinc/19/37/96/215193796.db2.gz	VZSRFGRCNPKEJS-AWEZNQCLSA-N	1	0	326.448	2.155	1	0		EEAFRO
C[C@H](NC(=O)c1cccnc1)[C@H](c1ccccc1)N1CC[NH+](C)CC1	ZINC000022036696	212272958	/nfs/dbraw/zinc/27/29/58/212272958.db2.gz	GGYDJTNPUODFMX-QFBILLFUSA-N	1	0	338.455	2.189	3	0		EEAFRO
CCOCCN1CC[NH+](C[C@]2(c3ccc(F)cc3)CCOC2)CC1	ZINC000020135068	212104967	/nfs/dbraw/zinc/10/49/67/212104967.db2.gz	SZHMCYXQLACWCJ-LJQANCHMSA-N	1	0	336.451	2.138	1	0		EEAFRO
O[C@H]1[C@@H]([NH2+]C[C@@H]2COc3ccccc3O2)CC[C@@H]1Oc1ccccc1	ZINC000012356133	211353698	/nfs/dbraw/zinc/35/36/98/211353698.db2.gz	STBHTUOPFMOXDX-LPWQTFTOSA-N	1	0	341.407	2.387	1	0		EEAFRO
Clc1ccc(Nc2nc(N3CC[NH2+]CC3)nc3nc[nH]c32)cc1	ZINC000053313112	132187312	/nfs/dbraw/zinc/18/73/12/132187312.db2.gz	ZIDMESINDLDLNF-UHFFFAOYSA-N	1	0	329.795	2.160	1	0		EEAFRO
COCCc1ncc(CN2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)cn1	ZINC000055072626	214269239	/nfs/dbraw/zinc/26/92/39/214269239.db2.gz	YMUXLZJXHPWBAB-HXUWFJFHSA-N	1	0	344.503	2.363	1	0		EEAFRO
O=C(Nc1ccc(Cl)c(C(=O)N2CC[NH2+]CC2)c1)c1ccco1	ZINC000103258756	219277592	/nfs/dbraw/zinc/27/75/92/219277592.db2.gz	ORWNFLKAVFJGGR-UHFFFAOYSA-N	1	0	333.775	2.231	1	0		EEAFRO
CC(C)[N@@H+]1CCN(Cc2cc3c(cc2Cl)OCO3)C[C@H]1CCO	ZINC000104549695	219394406	/nfs/dbraw/zinc/39/44/06/219394406.db2.gz	NOWUGUFGOPPHSG-CQSZACIVSA-N	1	0	340.851	2.346	3	0		EEAFRO
COc1cc2nc(N(C)C)nc(NC3CC[NH+](C)CC3)c2cc1OC	ZINC000036382565	213092569	/nfs/dbraw/zinc/09/25/69/213092569.db2.gz	XLDKAPYGJVCXCU-UHFFFAOYSA-N	1	0	345.447	2.219	1	0		EEAFRO
O=C1CC[C@@]23Cc4ccc(O)cc4[C@@]2(CC[N@H+](CC2(O)CC2)C3)C1	ZINC000072170958	216061667	/nfs/dbraw/zinc/06/16/67/216061667.db2.gz	HIXLAMQESUHGDK-AZUAARDMSA-N	1	0	327.424	2.156	1	0		EEAFRO
COC(=O)C[C@H]1c2ccccc2[NH+]=C(N2CCOCC2)N1C(C)C	ZINC000027081659	212545498	/nfs/dbraw/zinc/54/54/98/212545498.db2.gz	XKCRSIPYWCMFEZ-INIZCTEOSA-N	1	0	331.416	2.335	1	0		EEAFRO
COc1cc(C)c2nc3n[nH]c(C)c3c(C[N@@H+]3CC[C@@H](O)C3)c2c1	ZINC000073157523	216358782	/nfs/dbraw/zinc/35/87/82/216358782.db2.gz	LPMLXYRXWMPONQ-GFCCVEGCSA-N	1	0	326.400	2.303	1	0		EEAFRO
Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@H]3[NH3+])cnc2C(N)=O)c1	ZINC000073275241	216373152	/nfs/dbraw/zinc/37/31/52/216373152.db2.gz	JZTOUVBEZONDKA-ZIAGYGMSSA-N	1	0	340.431	2.309	1	0		EEAFRO
Cc1nc(C[NH3+])cc(N2CCN(c3nc4ccccc4s3)CC2)n1	ZINC000039466484	132397267	/nfs/dbraw/zinc/39/72/67/132397267.db2.gz	NLQIBUZEULAAHP-UHFFFAOYSA-N	1	0	340.456	2.180	1	0		EEAFRO
O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CC[N@H+]3CC2CC2)C1	ZINC000038192060	213205141	/nfs/dbraw/zinc/20/51/41/213205141.db2.gz	JKSUUZMNWGEVRC-VAMGGRTRSA-N	1	0	327.424	2.155	1	0		EEAFRO
CC(C)[NH2+]C[C@@H](O)COc1ccc(OCCCn2cccn2)cc1	ZINC000027556406	212564083	/nfs/dbraw/zinc/56/40/83/212564083.db2.gz	LGGPPIRNVVFQFN-MRXNPFEDSA-N	1	0	333.432	2.090	1	0		EEAFRO
FC(F)(F)c1ccc(-n2ccnc2-c2cc3n(n2)CC[NH2+]C3)cn1	ZINC000072428937	216220088	/nfs/dbraw/zinc/22/00/88/216220088.db2.gz	JKDNFCXDLJDXHE-UHFFFAOYSA-N	1	0	334.305	2.253	1	0		EEAFRO
Nc1nc2c3cc(Cl)ccc3oc2c(N2C[C@@H]3CC[NH2+][C@@H]3C2)n1	ZINC000073156190	216357602	/nfs/dbraw/zinc/35/76/02/216357602.db2.gz	DSARWPRWXDBOQN-GZMMTYOYSA-N	1	0	329.791	2.410	1	0		EEAFRO
Cc1nc(C(=O)N2CCOCC2)cc(-c2ccc(F)cc2F)c1C[NH3+]	ZINC000066113201	215013954	/nfs/dbraw/zinc/01/39/54/215013954.db2.gz	JGTXNWPJDYHLGC-UHFFFAOYSA-N	1	0	347.365	2.266	1	0		EEAFRO
Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@@H]2C(=O)N2CCOCC2)[N@@H+]3C)cc1	ZINC000036177323	213074687	/nfs/dbraw/zinc/07/46/87/213074687.db2.gz	SAGKYUWOOFCCBT-AKHDSKFASA-N	1	0	328.456	2.420	1	0		EEAFRO
Cc1cc(O)c(=O)c(O)c2c1C[C@@H]([C@](C)(O)C[NH+]1CCCCC1)CC2	ZINC000072107163	216009526	/nfs/dbraw/zinc/00/95/26/216009526.db2.gz	ZUDNUZLSSFQSMM-VBKZILBWSA-N	1	0	347.455	2.108	1	0		EEAFRO
O=C1CSC(=O)N1CCCC[NH2+]C[C@@H]1CCc2ccccc2O1	ZINC000073258851	216370195	/nfs/dbraw/zinc/37/01/95/216370195.db2.gz	FOBFCDNPKDAAQV-AWEZNQCLSA-N	1	0	334.441	2.445	1	0		EEAFRO
COc1cc2nc(N3CC[NH+](C)CC3)nc(NC(C)C)c2cc1OC	ZINC000036382499	536895195	/nfs/dbraw/zinc/89/51/95/536895195.db2.gz	NFZBIGDXVSAQPE-UHFFFAOYSA-N	1	0	345.447	2.219	1	0		EEAFRO
COc1ccc(CCn2nnn[n+]2-c2cccc(C(C)(C)C)c2)cc1	ZINC000040764403	213384383	/nfs/dbraw/zinc/38/43/83/213384383.db2.gz	DELDQFXWGXRTTF-UHFFFAOYSA-N	1	0	338.435	2.499	1	0		EEAFRO
CC(C)C[N@@H+]1CCN(Cc2cccc3nccnc23)C[C@@H]1CCO	ZINC000019758227	212062345	/nfs/dbraw/zinc/06/23/45/212062345.db2.gz	PSVZCRAAAHBJED-KRWDZBQOSA-N	1	0	328.460	2.154	3	0		EEAFRO
CN1CCN(Cc2ccc(Cl)cc2Cl)[C@@H](C2=[NH+]CCN2)C1	ZINC000169306742	529774084	/nfs/dbraw/zinc/77/40/84/529774084.db2.gz	QFCJEMBKXJNJTL-CQSZACIVSA-N	1	0	327.259	2.111	1	0		EEAFRO
O=C(N[C@H]1CCc2ccccc21)c1cncc(N2C[C@H]3C[NH2+]C[C@H]3C2)c1	ZINC000073196754	216361892	/nfs/dbraw/zinc/36/18/92/216361892.db2.gz	JRBPWKGPYGZYOP-QKLQHJQFSA-N	1	0	348.450	2.155	1	0		EEAFRO
C[NH2+][C@@H]1CCN(c2nc(N)nc3c4ccc(OC)cc4sc32)C1	ZINC000073166141	216359845	/nfs/dbraw/zinc/35/98/45/216359845.db2.gz	BFXKTIHIMJWWLN-SECBINFHSA-N	1	0	329.429	2.233	1	0		EEAFRO
C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCC[N@H+](C)C2)C1=O	ZINC000100824873	219107874	/nfs/dbraw/zinc/10/78/74/219107874.db2.gz	JEBIQDWUBWGGRV-UONOGXRCSA-N	1	0	344.411	2.085	1	0		EEAFRO
CCOC(=O)c1sc(SC)nc1OC[C@@H](O)C[NH2+]C(C)(C)C	ZINC000027751322	212576626	/nfs/dbraw/zinc/57/66/26/212576626.db2.gz	HCVMDVSMCPMXJS-VIFPVBQESA-N	1	0	348.490	2.170	1	0		EEAFRO
Cc1ccc([C@H](C)CC[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)o1	ZINC000011789161	211247708	/nfs/dbraw/zinc/24/77/08/211247708.db2.gz	FVKQIJFXYSHKLS-KZULUSFZSA-N	1	0	333.432	2.392	1	0		EEAFRO
C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc3n[nH]nc3c2)C1C(=O)OC	ZINC000100028545	219088754	/nfs/dbraw/zinc/08/87/54/219088754.db2.gz	ALROTSWWLJVSQV-XERWBJCMSA-N	1	0	342.355	2.379	1	0		EEAFRO
CCC[NH+](CCC)CCNc1n[n+]([O-])c2ccc(C(C)C)cc2[n+]1[O-]	ZINC000101103259	219115926	/nfs/dbraw/zinc/11/59/26/219115926.db2.gz	MWJHNMHLOFINNX-UHFFFAOYSA-N	1	0	347.463	2.159	1	0		EEAFRO
O=C(N[C@H]1CC[C@@H](O)CC1)[C@H]1Cc2c3ccccc3sc2C[NH2+]1	ZINC000102997279	219246564	/nfs/dbraw/zinc/24/65/64/219246564.db2.gz	MJYWWKXUPZLUQH-LALPHHSUSA-N	1	0	330.453	2.335	1	0		EEAFRO
Cc1ccc([C@@H](C)CC[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)o1	ZINC000011789160	211247475	/nfs/dbraw/zinc/24/74/75/211247475.db2.gz	FVKQIJFXYSHKLS-KPZWWZAWSA-N	1	0	333.432	2.392	1	0		EEAFRO
O=C1c2ccc(C3=[NH+]CCN3)cc2S(=O)(=O)c2ccc(Cl)cc21	ZINC000013755803	211631846	/nfs/dbraw/zinc/63/18/46/211631846.db2.gz	VMRKITUFBCAJLW-UHFFFAOYSA-N	1	0	346.795	2.067	1	0		EEAFRO
CCCn1cc(C(=O)[O-])c(=O)c2ccc(N3C[C@H](C)[NH2+][C@@H](C)C3)cc21	ZINC000103286545	219283460	/nfs/dbraw/zinc/28/34/60/219283460.db2.gz	QBESLSOIJXVULU-STQMWFEESA-N	1	0	343.427	2.296	1	0		EEAFRO
Cc1cc(C)cc(NC(=O)c2cncc(N3C[C@H]4C[NH2+]C[C@H]4C3)n2)c1	ZINC000073195660	216362696	/nfs/dbraw/zinc/36/26/96/216362696.db2.gz	DCPRUMXYQANTJY-GASCZTMLSA-N	1	0	337.427	2.001	1	0		EEAFRO
CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)c2cnsn2)C1	ZINC000012449262	285122433	/nfs/dbraw/zinc/12/24/33/285122433.db2.gz	UOWBRWMOGYBYBQ-CQSZACIVSA-N	1	0	331.445	2.060	1	0		EEAFRO
CC(C)Cc1ccc(C2=NN(CN3CC[NH2+]CC3)C(=O)CC2)cc1	ZINC000049803099	214033111	/nfs/dbraw/zinc/03/31/11/214033111.db2.gz	IASNOPLQAIQXAJ-UHFFFAOYSA-N	1	0	328.460	2.074	1	0		EEAFRO
C[C@@H](c1ccncn1)[N@H+](C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3	ZINC000067872877	215237255	/nfs/dbraw/zinc/23/72/55/215237255.db2.gz	DZQIBFJHECAUDS-NSHDSACASA-N	1	0	338.367	2.240	1	0		EEAFRO
N=C1NC(=[NH2+])NC2(CCCCC2)N1OCCCOc1ccc(F)cc1	ZINC000072106320	216009599	/nfs/dbraw/zinc/00/95/99/216009599.db2.gz	ZLQRBTXGNMZCJP-UHFFFAOYSA-N	1	0	349.410	2.132	1	0		EEAFRO
Cc1cc2c3c(ccc2OCC[NH2+]CCN(C)C)c(C)cc(=O)n13	ZINC000169310486	226240492	/nfs/dbraw/zinc/24/04/92/226240492.db2.gz	LIAXULDRUSKZEQ-UHFFFAOYSA-N	1	0	327.428	2.037	1	0		EEAFRO
CC(=O)O[C@H]1C[C@@H]2C[C@H](OC(=O)/C=C/c3ccccc3)C[C@H]1[N@@H+]2C	ZINC000095908910	560057689	/nfs/dbraw/zinc/05/76/89/560057689.db2.gz	QKTXQEDBXGTOFH-HZENTTGOSA-N	1	0	329.396	2.410	1	0	biogenic,in-vitro	EEAFRO
COc1ccc(NC(=S)N2CCO[C@@H](C3=CCC[N@H+](C)C3)C2)cc1	ZINC000040879921	213397063	/nfs/dbraw/zinc/39/70/63/213397063.db2.gz	FRVVRIWPLGATRV-QGZVFWFLSA-N	1	0	347.484	2.355	1	0		EEAFRO
C[NH2+]Cc1cc(NC(=O)Nc2cccc3c2[C@@H]2CCCN2C3=O)n[nH]1	ZINC000012354936	211353682	/nfs/dbraw/zinc/35/36/82/211353682.db2.gz	CSEMLDOWPBRBHH-ZDUSSCGKSA-N	1	0	340.387	2.064	1	0		EEAFRO
C[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)Cc3cccs3)CC[C@@H]21	ZINC000107203511	204228868	/nfs/dbraw/zinc/22/88/68/204228868.db2.gz	ZRNCWOMUHMKKKS-VYDXJSESSA-N	1	0	344.484	2.109	1	0		EEAFRO
NC(=O)c1c[nH]c2ccc(N3CC[NH2+]C[C@H]3Cc3ccccc3)cc12	ZINC000053294843	132187302	/nfs/dbraw/zinc/18/73/02/132187302.db2.gz	QSIIURGKHNVJBN-MRXNPFEDSA-N	1	0	334.423	2.288	1	0		EEAFRO
CC(C)c1cnc(CN(C)[C@H]2CC[N@H+](CCc3cnn(C)c3)C2)o1	ZINC000078892171	463160826	/nfs/dbraw/zinc/16/08/26/463160826.db2.gz	KDIQIYVCRBIMND-INIZCTEOSA-N	1	0	331.464	2.280	1	0		EEAFRO
CCOC(=O)Nc1cc(N[C@@H](C)[C@H](O)c2ccccc2)c(N)c(N)[nH+]1	ZINC000027194458	202152441	/nfs/dbraw/zinc/15/24/41/202152441.db2.gz	CXWKZNZBOCOAPU-BONVTDFDSA-N	1	0	345.403	2.348	1	0		EEAFRO
COc1ccc(CC[NH2+]CC/N=c2/cccccc2O)cc1OC	ZINC000029560274	202189255	/nfs/dbraw/zinc/18/92/55/202189255.db2.gz	IVJGZNPRNPTFSE-UHFFFAOYSA-N	1	0	328.412	2.142	1	0		EEAFRO
CC(C)[C@@H](CO)Nc1ccc2ncc(-c3ccc(C[NH3+])cc3)n2n1	ZINC000040424730	202438883	/nfs/dbraw/zinc/43/88/83/202438883.db2.gz	AZMIJZCFTHJKGA-OAHLLOKOSA-N	1	0	325.416	2.284	1	0		EEAFRO
CCCC[C@@H](O)[C@@H](C)Nc1cc(NC(=O)OCC)[nH+]c(N)c1N	ZINC000027196325	201386431	/nfs/dbraw/zinc/38/64/31/201386431.db2.gz	ZCFLBEDPPVQBNA-MWLCHTKSSA-N	1	0	325.413	2.166	1	0		EEAFRO
OC[C@@H]1CCCC[N@@H+]1CCn1ccnc1-c1nc2ccccc2[nH]1	ZINC000071497996	203098426	/nfs/dbraw/zinc/09/84/26/203098426.db2.gz	BPFNOXGNXWJAQX-AWEZNQCLSA-N	1	0	325.416	2.273	1	0		EEAFRO
COc1cc(C)c2nc3n[nH]c(C)c3c(CN3CC[NH2+]CC3)c2c1	ZINC000073165045	203258185	/nfs/dbraw/zinc/25/81/85/203258185.db2.gz	BWUITESCUMSIEP-UHFFFAOYSA-N	1	0	325.416	2.142	1	0		EEAFRO
COc1ncccc1CN1Cc2nccn2C[C@@H](C[NH+]2CCCC2)C1	ZINC000096188357	203856280	/nfs/dbraw/zinc/85/62/80/203856280.db2.gz	CZBLAZPTNMCHHY-INIZCTEOSA-N	1	0	341.459	2.015	1	0		EEAFRO
CC[NH+](CC)[C@H](C)CN1C(=O)C[C@]2(CCCc3ccc(O)cc32)C1=O	ZINC000027563967	202157825	/nfs/dbraw/zinc/15/78/25/202157825.db2.gz	BRHMGFURGFEIBN-VLIAUNLRSA-N	1	0	344.455	2.456	1	0		EEAFRO
CC[NH+](CC)CC(=O)Nc1cccnc1C(=O)Nc1nccs1	ZINC000028339236	202168800	/nfs/dbraw/zinc/16/88/00/202168800.db2.gz	LQYJJZHLFHMDIA-UHFFFAOYSA-N	1	0	333.417	2.071	1	0		EEAFRO
Cc1ccc2nc3c(O)n(CCC[NH+]4CCN(C)CC4)cnc-3c2c1	ZINC000101260745	204003787	/nfs/dbraw/zinc/00/37/87/204003787.db2.gz	FKJOQOPZCRPFQN-UHFFFAOYSA-N	1	0	339.443	2.188	1	0		EEAFRO
NC(=O)c1c[nH]c2ccc(N3CC[NH2+]C[C@@H]3Cc3ccccc3)cc12	ZINC000053294846	132187275	/nfs/dbraw/zinc/18/72/75/132187275.db2.gz	QSIIURGKHNVJBN-INIZCTEOSA-N	1	0	334.423	2.288	1	0		EEAFRO
Cc1cc(-c2ccccc2)n(-c2cc(N3CC[NH+](C)CC3)ncn2)n1	ZINC000000102157	135644733	/nfs/dbraw/zinc/64/47/33/135644733.db2.gz	ONLVOGBPLQJFBS-UHFFFAOYSA-N	1	0	334.427	2.390	1	0		EEAFRO
COc1cc(C[C@@H]2[NH2+]CCc3nc(N)sc32)cc(OC)c1OC	ZINC000011422493	201808907	/nfs/dbraw/zinc/80/89/07/201808907.db2.gz	WCLVWYZGFNFOGA-NSHDSACASA-N	1	0	335.429	2.181	1	0		EEAFRO
COc1c2occc2c(CN2CC[NH+](C)CC2)c2ccc(=O)oc21	ZINC000022036048	202077650	/nfs/dbraw/zinc/07/76/50/202077650.db2.gz	OINNWZSKOOEYQP-UHFFFAOYSA-N	1	0	328.368	2.295	1	0		EEAFRO
CC(C)[NH2+]C[C@@H](O)COc1ccc(SCCn2cccn2)cc1	ZINC000027559678	202157687	/nfs/dbraw/zinc/15/76/87/202157687.db2.gz	VMJMCQXWQZIHJH-OAHLLOKOSA-N	1	0	335.473	2.413	1	0		EEAFRO
[NH3+]CCCn1cc(C2=C(c3ccco3)C(=O)NC2=O)c2ccccc21	ZINC000029124592	202181830	/nfs/dbraw/zinc/18/18/30/202181830.db2.gz	ZTMZTBMWLZJFHV-UHFFFAOYSA-N	1	0	335.363	2.150	1	0		EEAFRO
C[N@@H+]1CCCN(c2nc(N)nc3c4cc(Cl)cnc4oc32)CC1	ZINC000073161363	203258366	/nfs/dbraw/zinc/25/83/66/203258366.db2.gz	RJVDCNQAKCLXBN-UHFFFAOYSA-N	1	0	332.795	2.149	1	0		EEAFRO
COc1ccc2c3c1O[C@H]1[C@@H](O)C(C)(C)C[C@@H]4[C@@H](C2)[N@@H+](C)CC[C@]314	ZINC000027845452	202160908	/nfs/dbraw/zinc/16/09/08/202160908.db2.gz	IXRJVYCFCPTYKT-VTCSZTPNSA-N	1	0	329.440	2.361	1	0		EEAFRO
[NH3+]C[C@@H]1C[C@@]1(C(=O)[C@H]1NCc2ccccc21)c1ccc2c(c1)OCO2	ZINC000029047609	202180994	/nfs/dbraw/zinc/18/09/94/202180994.db2.gz	JMLINUIVZHMJBT-ADLFWFRXSA-N	1	0	336.391	2.045	1	0		EEAFRO
C[C@@H](O)[C@@H](C)OC(=O)[C@@H]1C[C@H]2c3cccc4[nH]cc(c43)C[C@H]2[N@H+](C)C1	ZINC000029485291	202187828	/nfs/dbraw/zinc/18/78/28/202187828.db2.gz	GOHDSZGHAHFEHG-VIXOLBLUSA-N	1	0	342.439	2.440	1	0		EEAFRO
C[C@@H](O)[C@H](C)OC(=O)[C@@H]1C[C@H]2c3cccc4[nH]cc(c43)C[C@H]2[N@H+](C)C1	ZINC000029485297	202188015	/nfs/dbraw/zinc/18/80/15/202188015.db2.gz	GOHDSZGHAHFEHG-FETDOPKISA-N	1	0	342.439	2.440	1	0		EEAFRO
NC(=O)c1cccc(-c2ccccc2C(=O)NCC2CC[NH2+]CC2)c1	ZINC000049109673	202617172	/nfs/dbraw/zinc/61/71/72/202617172.db2.gz	PLBISGMTQILRDV-UHFFFAOYSA-N	1	0	337.423	2.182	1	0		EEAFRO
O=C(Nc1nncs1)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1	ZINC000023399367	212375525	/nfs/dbraw/zinc/37/55/25/212375525.db2.gz	YVDORDBNROSXTB-HNNXBMFYSA-N	1	0	343.456	2.245	1	0		EEAFRO
CCN1CCN(C(=O)CCC2CC[NH+]([C@@H](C)CSC)CC2)CC1	ZINC000023339787	202102365	/nfs/dbraw/zinc/10/23/65/202102365.db2.gz	LYFKSNLUIPHSBK-INIZCTEOSA-N	1	0	341.565	2.394	1	0		EEAFRO
CCCn1c2ccccc2n(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1=O	ZINC000026143345	202138431	/nfs/dbraw/zinc/13/84/31/202138431.db2.gz	OAZOOTIRHCWITI-GOOCMWNKSA-N	1	0	342.443	2.396	1	0		EEAFRO
COc1ncccc1CN1Cc2nccn2C[C@H](C[NH+]2CCCC2)C1	ZINC000096188356	203856554	/nfs/dbraw/zinc/85/65/54/203856554.db2.gz	CZBLAZPTNMCHHY-MRXNPFEDSA-N	1	0	341.459	2.015	1	0		EEAFRO
O=C(c1nc(-c2cccnc2)no1)N1CC[NH+](C2CCCCC2)CC1	ZINC000021526339	202066544	/nfs/dbraw/zinc/06/65/44/202066544.db2.gz	PEFVQFFVERRUTM-UHFFFAOYSA-N	1	0	341.415	2.222	1	0		EEAFRO
C[C@H]1N(C)C(=O)COC12CC[NH+](CCc1c[nH]c3ccccc13)CC2	ZINC000027983009	202163436	/nfs/dbraw/zinc/16/34/36/202163436.db2.gz	CXFXJZUPHCJQHE-OAHLLOKOSA-N	1	0	341.455	2.422	1	0		EEAFRO
C[NH2+]C[C@H](O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1	ZINC000029564605	202189533	/nfs/dbraw/zinc/18/95/33/202189533.db2.gz	OQFALAVCRBVDSL-AWEZNQCLSA-N	1	0	325.364	2.419	1	0		EEAFRO
Cc1cc(Nc2nc(CC[NH3+])cn3c(-c4cn[nH]c4)cnc23)sn1	ZINC000072109645	203162754	/nfs/dbraw/zinc/16/27/54/203162754.db2.gz	XQFHODAQACCOEF-UHFFFAOYSA-N	1	0	340.416	2.129	1	0		EEAFRO
COC1=C(C)C(=O)O/C1=C1/O[C@@]23CCC[N@@H+]4CCC[C@@H](O2)[C@H]4[C@H]3[C@@H]1C	ZINC000038287757	560086371	/nfs/dbraw/zinc/08/63/71/560086371.db2.gz	LXAQGNNSRKLTLE-PPBHGVCISA-N	1	0	347.411	2.311	1	0	biogenic,in-vitro	EEAFRO
NC(=[NH2+])NC[C@H]1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21	ZINC000035900026	213051580	/nfs/dbraw/zinc/05/15/80/213051580.db2.gz	AKHFOAQLUXPFBJ-CQSZACIVSA-N	1	0	343.452	2.422	1	0		EEAFRO
CC[C@]1(O)C[N@@H+]2CC[C@@]34c5ccccc5NC3=C(C(=O)OC)[C@@H]1C[C@@H]24	ZINC000085511397	560073821	/nfs/dbraw/zinc/07/38/21/560073821.db2.gz	DGKIJZKKTDPACC-KMTJZVEASA-N	1	0	340.423	2.026	1	0	biogenic,in-vitro	EEAFRO
O=C1CC[N@@H+](Cc2ccccc2)CCN1[C@H](CO)Cc1ccccc1	ZINC000012474397	211390856	/nfs/dbraw/zinc/39/08/56/211390856.db2.gz	SAZXWWGVXQPTQQ-FQEVSTJZSA-N	1	0	338.451	2.325	3	0		EEAFRO
COc1cc2c(c(OC)c1OC)[C@@H](O)O[C@@H]1CC=C3CC[N@H+](C)[C@@H]3[C@H]21	ZINC000070454207	560048533	/nfs/dbraw/zinc/04/85/33/560048533.db2.gz	MNAREALDHXFRFJ-FYHWNKSOSA-N	1	0	347.411	2.220	1	0	biogenic,in-vitro	EEAFRO
C[C@@H]1C[N@H+](CCC(=O)NCCc2cccnc2)Cc2ccccc2O1	ZINC000012034486	211281461	/nfs/dbraw/zinc/28/14/61/211281461.db2.gz	REELUDSAEMGFOW-MRXNPFEDSA-N	1	0	339.439	2.414	1	0		EEAFRO
CCO[C@@H]1O[C@H]2C[NH2+][C@@H]3C[C@H](OC)C=C[C@]32c2cc3c(cc21)OCO3	ZINC000095910443	560058748	/nfs/dbraw/zinc/05/87/48/560058748.db2.gz	DWXXGLPEQMCHLG-ZMKKGPNFSA-N	1	0	345.395	2.034	1	0	biogenic,in-vitro	EEAFRO
CS(=O)(=O)c1ccccc1C[C@@H](c1ccccc1)N1CC[NH2+]CC1	ZINC000036093247	213063009	/nfs/dbraw/zinc/06/30/09/213063009.db2.gz	QJMPSMDQYHMYSR-SFHVURJKSA-N	1	0	344.480	2.279	1	0		EEAFRO
Nc1nc(N2CCCCCC2)nc2c1[N+](=O)C(c1ccccc1)C2=O	ZINC000045389155	213732255	/nfs/dbraw/zinc/73/22/55/213732255.db2.gz	VSZJVZXYPUBBHV-UHFFFAOYSA-N	1	0	337.383	2.267	1	0		EEAFRO
O=C1NCCN1c1ccc(CN2CCC[C@H]([NH+]3CCCC3)C2)cc1	ZINC000019835981	280290069	/nfs/dbraw/zinc/29/00/69/280290069.db2.gz	BEFRDPNMHZJQJM-SFHVURJKSA-N	1	0	328.460	2.276	1	0		EEAFRO
CC1(C)Cc2c(c3c(n2-c2ccc(C(N)=O)cc2)C[NH2+]CC3)C(=O)C1	ZINC000169307786	527771788	/nfs/dbraw/zinc/77/17/88/527771788.db2.gz	QEIFWHGXYQFXRO-UHFFFAOYSA-N	1	0	337.423	2.377	1	0		EEAFRO
C[C@@H](NC(=O)c1cncc(N2C[C@H]3C[NH2+]C[C@H]3C2)c1)c1ccccc1	ZINC000073157141	216358713	/nfs/dbraw/zinc/35/87/13/216358713.db2.gz	MRWXXCJABKSUFB-OLMNPRSZSA-N	1	0	336.439	2.228	1	0		EEAFRO
CCNc1cc([C@H]2CCC[NH2+]C2)nc2c(-c3cnn(C)c3)cnn21	ZINC000066100198	215009843	/nfs/dbraw/zinc/00/98/43/215009843.db2.gz	XZMAQRXTUAMTRE-LBPRGKRZSA-N	1	0	325.420	2.029	1	0		EEAFRO
NCc1noc(-c2c3ccccc3nn2Cc2ccc3c(c2)OCO3)n1	ZINC000040876577	213396419	/nfs/dbraw/zinc/39/64/19/213396419.db2.gz	WEINPPVEJKWVCU-UHFFFAOYSA-N	1	0	349.350	2.322	1	0		EEAFRO
C[C@@H]1[C@@H]2Cc3ccc(C(N)=O)cc3[C@@]1(C)CC[N@@H+]2C[C@H]1CCCO1	ZINC000040860871	213395055	/nfs/dbraw/zinc/39/50/55/213395055.db2.gz	OWRBBFHZDDJXIW-GNYRAKODSA-N	1	0	328.456	2.489	1	0		EEAFRO
COc1ccc(CCNC(=O)C2=CC(C)(C)[NH2+]C2(C)C)cc1OC	ZINC000040466792	213310751	/nfs/dbraw/zinc/31/07/51/213310751.db2.gz	DKHYHJSZQGTCDL-UHFFFAOYSA-N	1	0	332.444	2.449	1	0		EEAFRO
Cc1c2c(c(C)c(O)c1C)[C@H](C[NH+]1CCN(CCO)CC1)C(C)(C)O2	ZINC000022934282	212338049	/nfs/dbraw/zinc/33/80/49/212338049.db2.gz	TXFFRQXQLQRADA-INIZCTEOSA-N	1	0	348.487	2.182	1	0		EEAFRO
CCOC(=O)C(=O)Nc1cc(N2CCc3ccccc3C2)cc(C)[nH+]1	ZINC000013489847	135701261	/nfs/dbraw/zinc/70/12/61/135701261.db2.gz	RLVQGJIROUBSPL-UHFFFAOYSA-N	1	0	339.395	2.454	1	0		EEAFRO
C[C@@H]1CN(c2ccc(C(=O)Nc3ccccc3N)cn2)C[C@H](C)[NH2+]1	ZINC000028824483	135741858	/nfs/dbraw/zinc/74/18/58/135741858.db2.gz	HKZPHZQYERFYSY-BETUJISGSA-N	1	0	325.416	2.103	1	0		EEAFRO
c1cc2c(nccc2-c2cnc(N3CCCC3)c(N3CC[NH2+]CC3)n2)[nH]1	ZINC000045391628	581092457	/nfs/dbraw/zinc/09/24/57/581092457.db2.gz	OGPFJRNUCSCJQP-UHFFFAOYSA-N	1	0	349.442	2.030	1	0		EEAFRO
CCCOc1ccc2c(c1)CC[NH2+][C@H]2c1ccc(S(N)(=O)=O)cc1	ZINC000084653834	217626602	/nfs/dbraw/zinc/62/66/02/217626602.db2.gz	LCSOKKPGIKPBDO-SFHVURJKSA-N	1	0	346.452	2.358	1	0		EEAFRO
C[NH+](C)CCCCN1C(=O)C[C@@]2(CCCc3ccc(O)cc32)C1=O	ZINC000003631744	210069331	/nfs/dbraw/zinc/06/93/31/210069331.db2.gz	UBEHQYMQRWDKNH-LJQANCHMSA-N	1	0	330.428	2.067	1	0		EEAFRO
CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCc1cccs1	ZINC000020531734	212145017	/nfs/dbraw/zinc/14/50/17/212145017.db2.gz	KZQREQWBIRPELC-UHFFFAOYSA-N	1	0	348.468	2.135	1	0		EEAFRO
CC(C)NC(=[NH2+])NC1=NC(=O)CN1c1cccc(Cl)c1Cl	ZINC000102003449	219179725	/nfs/dbraw/zinc/17/97/25/219179725.db2.gz	DCDBUNSKHMRDAF-UHFFFAOYSA-N	1	0	328.203	2.218	1	0		EEAFRO
COc1cc(C[C@H]2[NH2+]CCc3nc(N)sc32)cc(OC)c1OC	ZINC000003940886	210094193	/nfs/dbraw/zinc/09/41/93/210094193.db2.gz	WCLVWYZGFNFOGA-LLVKDONJSA-N	1	0	335.429	2.181	1	0		EEAFRO
CN(C(=O)C1CCCCC1)c1ccc2c(c1)[nH+]c(N)n2CCC(N)=O	ZINC000040860792	213394485	/nfs/dbraw/zinc/39/44/85/213394485.db2.gz	VIZZIFTYDVKPCM-UHFFFAOYSA-N	1	0	343.431	2.037	1	0		EEAFRO
COc1cccc([C@H]2CN(C(=O)c3noc4c3CCCC4)C[C@@H]2[NH3+])c1	ZINC000091645372	218039178	/nfs/dbraw/zinc/03/91/78/218039178.db2.gz	YFRFMTQWIRFQGA-CVEARBPZSA-N	1	0	341.411	2.129	1	0		EEAFRO
CN(C)C(=O)c1ccc(-c2cncnc2NC2CC[NH2+]CC2)cc1	ZINC000004265251	210155102	/nfs/dbraw/zinc/15/51/02/210155102.db2.gz	KMARINFNFFODQU-UHFFFAOYSA-N	1	0	325.416	2.009	1	0		EEAFRO
C[NH2+]CCn1cc(S(=O)(=O)c2cccc(F)c2)c2cccnc21	ZINC000003927116	210093772	/nfs/dbraw/zinc/09/37/72/210093772.db2.gz	KXMJOIWHVHUTOI-UHFFFAOYSA-N	1	0	333.388	2.228	1	0		EEAFRO
C[C@H](NC(=O)c1cccnc1)[C@@H](c1ccccc1)N1CC[NH+](C)CC1	ZINC000022036689	212272191	/nfs/dbraw/zinc/27/21/91/212272191.db2.gz	GGYDJTNPUODFMX-LPHOPBHVSA-N	1	0	338.455	2.189	3	0		EEAFRO
COC(=O)C[C@@H]1[C@H]2CC[C@H]3[C@H]4C(=O)O[C@H]([C@H]4C(C)C)[C@@H]([N@@H+]1C)[C@@]23C	ZINC000085493085	560075010	/nfs/dbraw/zinc/07/50/10/560075010.db2.gz	IAIIJNHQMKXPHL-HYXRZFGTSA-N	1	0	335.444	2.092	1	0	biogenic,in-vitro	EEAFRO
CC(C)n1c2ccccc2n(C(=O)NC[C@@H]2CC[N@@H+]3CCC[C@@H]23)c1=O	ZINC000003801356	210074879	/nfs/dbraw/zinc/07/48/79/210074879.db2.gz	QLKYHAQZBFWRHO-GJZGRUSLSA-N	1	0	342.443	2.426	1	0		EEAFRO
C[N@@H+]1CCC=C([C@H]2CN(C(=S)Nc3ccccc3F)CCO2)C1	ZINC000040875879	213395609	/nfs/dbraw/zinc/39/56/09/213395609.db2.gz	PUTYLQRIQFVFDQ-MRXNPFEDSA-N	1	0	335.448	2.485	1	0		EEAFRO
O=S(=O)(c1ccccc1)c1cccc2oc(N3CC[NH2+]CC3)nc21	ZINC000040392847	213297071	/nfs/dbraw/zinc/29/70/71/213297071.db2.gz	JDESGJUPIXKIGD-UHFFFAOYSA-N	1	0	343.408	2.070	1	0		EEAFRO
O=S(=O)(c1ccc2c(c1)O[C@H]1C[NH2+]CC[C@@H]21)c1ccccc1F	ZINC000073274859	216372572	/nfs/dbraw/zinc/37/25/72/216372572.db2.gz	CONQSDBWMDPMKW-BBRMVZONSA-N	1	0	333.384	2.496	1	0		EEAFRO
CCn1c(-c2nonc2N)nc2cncc(-c3ccc(C[NH3+])cc3)c21	ZINC000073280534	216373599	/nfs/dbraw/zinc/37/35/99/216373599.db2.gz	OOUZCKZPQVKRHO-UHFFFAOYSA-N	1	0	335.371	2.209	1	0		EEAFRO
C[N@@H+]1CCC=C([C@H]2CN(C(=S)Nc3ccc(F)cc3)CCO2)C1	ZINC000040875885	213396021	/nfs/dbraw/zinc/39/60/21/213396021.db2.gz	WKNNFHUIZFRHBO-MRXNPFEDSA-N	1	0	335.448	2.485	1	0		EEAFRO
NC(=[NH2+])NCCC[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O	ZINC000066080557	215007917	/nfs/dbraw/zinc/00/79/17/215007917.db2.gz	WBZWBPDESNWHJJ-INIZCTEOSA-N	1	0	335.411	2.108	1	0		EEAFRO
C[C@@H](NC(=O)c1cccnc1)[C@H](c1ccccc1)N1CC[NH+](C)CC1	ZINC000022036699	212273420	/nfs/dbraw/zinc/27/34/20/212273420.db2.gz	GGYDJTNPUODFMX-VQIMIIECSA-N	1	0	338.455	2.189	3	0		EEAFRO
Cc1c(C(=O)N2CCCC2)sc2ncnc(NCC[NH+](C)C)c12	ZINC000012126977	211300710	/nfs/dbraw/zinc/30/07/10/211300710.db2.gz	GMBFFSJUAHLAQM-UHFFFAOYSA-N	1	0	333.461	2.209	1	0		EEAFRO
CC(C)C(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCNC(=O)c1ccccc1)C2	ZINC000101505676	219129325	/nfs/dbraw/zinc/12/93/25/219129325.db2.gz	GGCQCSRMRGZTDQ-NNZMDNLPSA-N	1	0	343.471	2.184	1	0		EEAFRO
NC(=O)c1c(N)n(CC2CC[NH2+]CC2)nc1-c1ccc2ccccc2c1	ZINC000103251505	219275607	/nfs/dbraw/zinc/27/56/07/219275607.db2.gz	BAJCQXWKKBBHQY-UHFFFAOYSA-N	1	0	349.438	2.384	1	0		EEAFRO
CCCn1cc(C(=O)[O-])c(=O)c2ccc(N3C[C@@H](C)[NH2+][C@@H](C)C3)cc21	ZINC000103286541	219283638	/nfs/dbraw/zinc/28/36/38/219283638.db2.gz	QBESLSOIJXVULU-BETUJISGSA-N	1	0	343.427	2.296	1	0		EEAFRO
O=S(=O)(c1ccccc1)N1CCC2(CN(c3cc[nH+]cc3)C2)CC1	ZINC000004238159	210148151	/nfs/dbraw/zinc/14/81/51/210148151.db2.gz	WJYGGQFASPHFTF-UHFFFAOYSA-N	1	0	343.452	2.373	1	0		EEAFRO
O=C(CO)N1C[C@@H]2CC=C(c3ccc(CC[NH+]4CCCC4)cc3)[C@@H]2C1	ZINC000040422818	213301932	/nfs/dbraw/zinc/30/19/32/213301932.db2.gz	IEKCOXKNCRBHNT-AZUAARDMSA-N	1	0	340.467	2.179	1	0		EEAFRO
CCCC[C@@H](Nc1cc(NC(=O)OCC)[nH+]c(N)c1N)[C@@H](C)O	ZINC000027199928	212548992	/nfs/dbraw/zinc/54/89/92/212548992.db2.gz	CTOKUTKEJKJNFE-NXEZZACHSA-N	1	0	325.413	2.166	1	0		EEAFRO
C[C@@H](c1ccc(-c2cncnc2)cc1)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1	ZINC000014948178	211774466	/nfs/dbraw/zinc/77/44/66/211774466.db2.gz	GZGFXEZECQSUJX-ZLIFDBKOSA-N	1	0	328.391	2.145	1	0		EEAFRO
C[NH2+]CCCn1c2c(c3ccc(N)cc3c1=O)[C@@H](O)c1ccccc1-2	ZINC000095552690	218435323	/nfs/dbraw/zinc/43/53/23/218435323.db2.gz	MFMDWKOWKFXPQN-IBGZPJMESA-N	1	0	335.407	2.255	1	0		EEAFRO
C[C@@H](OC(=O)[C@@H]1C[C@@H]2c3cccc4[nH]cc(c43)C[C@@H]2[N@H+](C)C1)[C@H](C)O	ZINC000040374147	213293214	/nfs/dbraw/zinc/29/32/14/213293214.db2.gz	GOHDSZGHAHFEHG-GLYSNPQVSA-N	1	0	342.439	2.440	1	0		EEAFRO
O=C1CC[N@@H+](Cc2ccc(O)cc2)CCN1[C@H](CO)c1ccccc1	ZINC000012474561	211390027	/nfs/dbraw/zinc/39/00/27/211390027.db2.gz	BBSMOMYKEHJDLJ-LJQANCHMSA-N	1	0	340.423	2.160	3	0		EEAFRO
CCCCn1c(=O)c2ccccc2n(CC[NH+]2CCCCC2)c1=O	ZINC000103172203	219265887	/nfs/dbraw/zinc/26/58/87/219265887.db2.gz	LPBNYDBKCOQPLW-UHFFFAOYSA-N	1	0	329.444	2.449	1	0		EEAFRO
O=C1CC[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@@H]1O5	ZINC000079641521	217245570	/nfs/dbraw/zinc/24/55/70/217245570.db2.gz	XNXORWDKIQPSNX-SMHQJORMSA-N	1	0	325.408	2.411	1	0		EEAFRO
[NH3+]CCCC(=O)Nc1cc(NC(=O)/C=C/c2ccco2)ccc1O	ZINC000103178669	219266681	/nfs/dbraw/zinc/26/66/81/219266681.db2.gz	WRXQUJCYZPVKDI-SOFGYWHQSA-N	1	0	329.356	2.315	1	0		EEAFRO
COc1cccc(NC(=S)N2CCO[C@@H](C3=CCC[N@H+](C)C3)C2)c1	ZINC000040879911	213396789	/nfs/dbraw/zinc/39/67/89/213396789.db2.gz	KDZOZIJJZTVFLL-QGZVFWFLSA-N	1	0	347.484	2.355	1	0		EEAFRO
CCn1c2ccc(F)cc2n([C@@H](c2ccccc2)[C@H](O)C[NH2+]C)c1=O	ZINC000035949968	213052426	/nfs/dbraw/zinc/05/24/26/213052426.db2.gz	DBNIRDAYCJINLF-MSOLQXFVSA-N	1	0	343.402	2.132	1	0		EEAFRO
O=C(c1cccnc1)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1	ZINC000028389116	212618261	/nfs/dbraw/zinc/61/82/61/212618261.db2.gz	SSGWAVHPYJIKAN-HJWJTTGWSA-N	1	0	327.428	2.176	1	0		EEAFRO
Cc1ccc(N2C[C@H]3C[N@H+](Cc4ccsc4)CCO[C@@H]3C2)nn1	ZINC000299841957	257656130	/nfs/dbraw/zinc/65/61/30/257656130.db2.gz	FZVASWMNHHBPTO-HZPDHXFCSA-N	1	0	330.457	2.184	1	0		EEAFRO
CCn1c2ccccc2n(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1=O	ZINC000000004620	560176564	/nfs/dbraw/zinc/17/65/64/560176564.db2.gz	MZRKHUUDDHJVHS-AGUYFDCRSA-N	1	0	328.416	2.006	1	0	in-vitro	EEAFRO
CC[NH+](CC)CCNC(=O)c1ccccc1[123I]	ZINC000101087186	219116195	/nfs/dbraw/zinc/11/61/95/219116195.db2.gz	WNSWOZIBBVUJBI-CKVWVWRJSA-N	1	0	342.214	2.363	1	0		EEAFRO
OC[C@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CC[N@@H+]1CC1CC1	ZINC000040913923	213399291	/nfs/dbraw/zinc/39/92/91/213399291.db2.gz	KZPYCWJXCIGRQW-XRXFAXGQSA-N	1	0	341.451	2.354	1	0		EEAFRO
C[NH+](C)CCNC(=O)c1[nH]c(C(F)(F)F)nc1-c1ccccc1	ZINC000072141099	216027200	/nfs/dbraw/zinc/02/72/00/216027200.db2.gz	ULNXOXUQTJHTPG-UHFFFAOYSA-N	1	0	326.322	2.387	3	0		EEAFRO
O=C1CSC(=O)N1CCCC[NH2+]C[C@H]1CCc2ccccc2O1	ZINC000073258850	216370236	/nfs/dbraw/zinc/37/02/36/216370236.db2.gz	FOBFCDNPKDAAQV-CQSZACIVSA-N	1	0	334.441	2.445	1	0		EEAFRO
Brc1cc(N2CC[C@H]3C[NH2+][C@H]3C2)cnc1Br	ZINC000035080250	532959293	/nfs/dbraw/zinc/95/92/93/532959293.db2.gz	VBSTVVDALUYNRL-XVKPBYJWSA-N	1	0	347.054	2.405	1	0		EEAFRO
Cc1nc(NCc2cccc(-n3cncn3)c2)cc([C@@H]2CCC[NH2+]C2)n1	ZINC000039551755	213239023	/nfs/dbraw/zinc/23/90/23/213239023.db2.gz	ADWOUEZUHQOIDE-MRXNPFEDSA-N	1	0	349.442	2.445	1	0		EEAFRO
CC(C)([NH3+])CC(=O)N[C@@H]1CCc2c(ccc3ccccc32)NC1=O	ZINC000026744943	202147985	/nfs/dbraw/zinc/14/79/85/202147985.db2.gz	LAOHIOGIRCVAHC-MRXNPFEDSA-N	1	0	325.412	2.337	1	0		EEAFRO
CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1C[NH2+]CC(OC)OC	ZINC000029128195	202182207	/nfs/dbraw/zinc/18/22/07/202182207.db2.gz	KGCAQBRBCVWBSF-APWZRJJASA-N	1	0	334.460	2.021	1	0		EEAFRO
CCCC[C@H](Nc1cc(NC(=O)OCC)[nH+]c(N)c1N)[C@H](C)O	ZINC000027199943	201386836	/nfs/dbraw/zinc/38/68/36/201386836.db2.gz	CTOKUTKEJKJNFE-UWVGGRQHSA-N	1	0	325.413	2.166	1	0		EEAFRO
CC(C)[C@H]1CN(c2ccc(C(=O)Nc3ccccc3N)cn2)CC[NH2+]1	ZINC000028824478	135741617	/nfs/dbraw/zinc/74/16/17/135741617.db2.gz	SHBXKOTUHGTWFH-QGZVFWFLSA-N	1	0	339.443	2.350	1	0		EEAFRO
[NH3+]CC1CCN(c2nc(-c3ccncc3)cnc2N2CCCC2)CC1	ZINC000045338010	581100510	/nfs/dbraw/zinc/10/05/10/581100510.db2.gz	URKCEACRGZFFGD-UHFFFAOYSA-N	1	0	338.459	2.314	1	0		EEAFRO
Cc1ccccc1-n1ncc2c1ncn(CC[NH+]1CCCCC1)c2=O	ZINC000004479051	201057096	/nfs/dbraw/zinc/05/70/96/201057096.db2.gz	FOCYMCIAHWBRIL-UHFFFAOYSA-N	1	0	337.427	2.377	1	0		EEAFRO
CCCn1c2ccccc2n([C@@H](c2ccccc2)[C@H](O)C[NH2+]C)c1=O	ZINC000043120362	202508328	/nfs/dbraw/zinc/50/83/28/202508328.db2.gz	QWDPOYBOJIBHAD-MOPGFXCFSA-N	1	0	339.439	2.383	1	0		EEAFRO
CCC[N@@H+]1C[C@H](Cn2cccn2)O[C@@H]2Cc3c(O)cccc3C[C@H]21	ZINC000103224170	204067693	/nfs/dbraw/zinc/06/76/93/204067693.db2.gz	VGUCRFZEXJNJAG-SZVBFZGTSA-N	1	0	327.428	2.236	1	0		EEAFRO
O=c1cc(N2CC[NH2+]CC2)c2ccc(OCc3cccnc3)cc2o1	ZINC000049942648	132177798	/nfs/dbraw/zinc/17/77/98/132177798.db2.gz	RUNHKDDAAIZZNP-UHFFFAOYSA-N	1	0	337.379	2.177	1	0		EEAFRO
CN1C[C@@H](CC[NH+](C)C)Oc2ncc(Br)cc2C1=S	ZINC000026290262	202141437	/nfs/dbraw/zinc/14/14/37/202141437.db2.gz	YDOUHTHUKILQDC-SNVBAGLBSA-N	1	0	344.278	2.164	1	0		EEAFRO
COc1cc2c(c(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c1)O[C@@H](C)C2	ZINC000026948747	202149965	/nfs/dbraw/zinc/14/99/65/202149965.db2.gz	HEGCNUMCFQIISG-PRTUASRFSA-N	1	0	330.428	2.374	1	0		EEAFRO
c1nn(-c2ccccc2)c2nc(C3CC3)nc(N3CCC[NH2+]CC3)c12	ZINC000035990612	202311616	/nfs/dbraw/zinc/31/16/16/202311616.db2.gz	SKAUVJWKGRJUIL-UHFFFAOYSA-N	1	0	334.427	2.493	1	0		EEAFRO
CC(C)[NH2+]C[C@H](O)COc1ccc(/C=C/CO)cc1Br	ZINC000040632530	202456071	/nfs/dbraw/zinc/45/60/71/202456071.db2.gz	CVOIBIVLYLGZOC-OOPCZODUSA-N	1	0	344.249	2.192	1	0		EEAFRO
O=C(Nc1nncs1)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1	ZINC000023399364	212375857	/nfs/dbraw/zinc/37/58/57/212375857.db2.gz	YVDORDBNROSXTB-OAHLLOKOSA-N	1	0	343.456	2.245	1	0		EEAFRO
C[N@H+](Cc1cnc(N)nc1)[C@H]1CCCN(Cc2ccccc2F)C1	ZINC000020205942	212112442	/nfs/dbraw/zinc/11/24/42/212112442.db2.gz	ILFLCUMMLLHEFT-INIZCTEOSA-N	1	0	329.423	2.294	1	0		EEAFRO
Oc1c2c(cc3c1-c1c4c(cc5c1[C@H](C3)[NH2+]CC5)OCO4)OCO2	ZINC000014639614	290973580	/nfs/dbraw/zinc/97/35/80/290973580.db2.gz	BHCFQRZCSLOBQJ-JTQLQIEISA-N	1	0	325.320	2.260	1	0	biogenic,in-vitro	EEAFRO
C[NH+](C)CCNC(=O)c1cccc2nc3c(nc21)-c1ccccc1C3	ZINC000026170790	202139899	/nfs/dbraw/zinc/13/98/99/202139899.db2.gz	SWGUIMFTZCHWIA-UHFFFAOYSA-N	1	0	332.407	2.492	1	0		EEAFRO
CCOC(=O)[C@H]1[C@H](C(=O)OCC)C[N@H+](C)[C@H](C)[C@@H]1c1ccccc1	ZINC000028464669	202171122	/nfs/dbraw/zinc/17/11/22/202171122.db2.gz	PLIBPCZWAZTVBS-DZUCGIPZSA-N	1	0	333.428	2.463	1	0		EEAFRO
Cc1c(C(=O)O[C@@H](C)C(C)(C)C)cn2c1C(=O)N(CCC[NH3+])CC2	ZINC000028572095	202173235	/nfs/dbraw/zinc/17/32/35/202173235.db2.gz	VCWWLXBGTFUNRS-ZDUSSCGKSA-N	1	0	335.448	2.193	1	0		EEAFRO
CCCC[C@H](O)[C@H](C)Nc1cc(NC(=O)OCC)[nH+]c(N)c1N	ZINC000027196341	201387147	/nfs/dbraw/zinc/38/71/47/201387147.db2.gz	ZCFLBEDPPVQBNA-ONGXEEELSA-N	1	0	325.413	2.166	1	0		EEAFRO
Cc1cc(O)c(=O)c(O)c2c1C[C@@H]([C@@](C)(O)C[NH+]1CCCCC1)CC2	ZINC000072107164	203162159	/nfs/dbraw/zinc/16/21/59/203162159.db2.gz	ZUDNUZLSSFQSMM-XOBRGWDASA-N	1	0	347.455	2.108	1	0		EEAFRO
CC[C@@H](C)[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@@H]2C=C[C@H](O)[C@@H]3O5	ZINC000169341391	206552801	/nfs/dbraw/zinc/55/28/01/206552801.db2.gz	DHWOEIFEZNBNSB-QHOWBERBSA-N	1	0	327.424	2.367	1	0		EEAFRO
c1cnc(N2CCC(C[NH2+]C[C@H]3COc4ccccc4O3)CC2)nc1	ZINC000013799843	135703168	/nfs/dbraw/zinc/70/31/68/135703168.db2.gz	LMMWPOUOKPRTGA-INIZCTEOSA-N	1	0	340.427	2.123	1	0		EEAFRO
C[C@H]1CCC[C@H](C)[NH+]1C[C@@H](O)COC[C@@H]1COc2ccccc2O1	ZINC000011852164	279686078	/nfs/dbraw/zinc/68/60/78/279686078.db2.gz	QSWWVPTUDPLALI-MWDXBVQZSA-N	1	0	335.444	2.467	1	0		EEAFRO
COc1ccc2c3c1O[C@H]1[C@@H](O)C(C)(C)C[C@H]4[C@@H](C2)[N@@H+](C)CC[C@]314	ZINC000027845446	202159873	/nfs/dbraw/zinc/15/98/73/202159873.db2.gz	IXRJVYCFCPTYKT-KWAUXISBSA-N	1	0	329.440	2.361	1	0		EEAFRO
CC[NH+](CC)[C@H](C)CN1C(=O)C[C@@]2(CCCc3ccc(O)cc32)C1=O	ZINC000027563962	202157745	/nfs/dbraw/zinc/15/77/45/202157745.db2.gz	BRHMGFURGFEIBN-JLTOFOAXSA-N	1	0	344.455	2.456	1	0		EEAFRO
CCN1C(C)=C(C(=O)OC)[C@H](c2ccccc2)NC1=[NH+]CCCCO	ZINC000036379144	202323616	/nfs/dbraw/zinc/32/36/16/202323616.db2.gz	AOWKQEMDGFCTAY-KRWDZBQOSA-N	1	0	345.443	2.228	1	0		EEAFRO
CC(C)(C)[C@H]1CN(c2cccc(C(=O)c3cccnc3N)n2)CC[NH2+]1	ZINC000084738988	132820550	/nfs/dbraw/zinc/82/05/50/132820550.db2.gz	ITZAPORCNAKHLS-OAHLLOKOSA-N	1	0	339.443	2.114	1	0		EEAFRO
C[C@H]1NC(=O)COC12CC[NH+](CCc1c[nH]c3ccccc13)CC2	ZINC000027987145	202162508	/nfs/dbraw/zinc/16/25/08/202162508.db2.gz	YMWCHFVKNLRUOY-CQSZACIVSA-N	1	0	327.428	2.080	1	0		EEAFRO
C[NH2+]CC(=O)Nc1ccc([C@@H]2NC(=O)C(C)(C)c3ccccc32)cc1	ZINC000033823795	202269707	/nfs/dbraw/zinc/26/97/07/202269707.db2.gz	DFNNFJVYZRZOGF-SFHVURJKSA-N	1	0	337.423	2.341	1	0		EEAFRO
Cc1cccc(Nc2nc(NC[C@@H]3CCCC[NH2+]3)ncc2C(N)=O)c1	ZINC000072124970	203164520	/nfs/dbraw/zinc/16/45/20/203164520.db2.gz	CGICNRPZUNAYAP-AWEZNQCLSA-N	1	0	340.431	2.182	1	0		EEAFRO
COC(=O)[C@@]12COCC[C@@H]3[C@@H]([NH2+]CC[C@@H]31)c1c3ccccc3[nH]c12	ZINC000040872597	213395933	/nfs/dbraw/zinc/39/59/33/213395933.db2.gz	DJGCISNEPWGNJS-IKTQFDNCSA-N	1	0	326.396	2.279	1	0		EEAFRO
COc1c(O)ccc2cc3[n+](cc21)C[C@H](O)c1cc2c(cc1-3)OCO2	ZINC000014765594	560225941	/nfs/dbraw/zinc/22/59/41/560225941.db2.gz	LQGRWSKECPQNES-INIZCTEOSA-O	1	0	338.339	2.284	1	0	biogenic,in-vitro	EEAFRO
COc1cccc2n1cc(-c1ccc(OC(=O)N(C)C)cc1)[n+]2C	ZINC000049036557	213979917	/nfs/dbraw/zinc/97/99/17/213979917.db2.gz	NRURFBIGISKRGS-UHFFFAOYSA-N	1	0	326.376	2.500	1	0		EEAFRO
CC(C)[NH+]1CCC(Oc2ccc(C3=NNC(=O)[C@@H]4C[C@H]34)cc2)CC1	ZINC000103260402	219278226	/nfs/dbraw/zinc/27/82/26/219278226.db2.gz	ODCFXBPEVBNSRH-DLBZAZTESA-N	1	0	327.428	2.408	1	0		EEAFRO
Cc1cccc(C)c1NC(=O)CNC(=O)C1=CC(C)(C)[NH2+]C1(C)C	ZINC000040503505	213324736	/nfs/dbraw/zinc/32/47/36/213324736.db2.gz	JBXSWOVTEWINCW-UHFFFAOYSA-N	1	0	329.444	2.445	1	0		EEAFRO
C[NH+](C)CCNS(=O)(=O)c1ccc(-c2ccnc3[nH]ccc32)cc1	ZINC000040420871	213301845	/nfs/dbraw/zinc/30/18/45/213301845.db2.gz	RULRLUFVKXIRNZ-UHFFFAOYSA-N	1	0	344.440	2.070	1	0		EEAFRO
CN(CCC[NH2+]Cc1ccccc1)c1nc(-n2ccnc2)ns1	ZINC000038266566	213205919	/nfs/dbraw/zinc/20/59/19/213205919.db2.gz	BPGNDAYVHOVZHS-UHFFFAOYSA-N	1	0	328.445	2.340	1	0		EEAFRO
Cc1ccc(Nc2nc(N[C@@H]3CCCC[C@@H]3[NH3+])ncc2C(N)=O)cc1	ZINC000072124508	216016397	/nfs/dbraw/zinc/01/63/97/216016397.db2.gz	CAIDLKSVZKWPJK-LSDHHAIUSA-N	1	0	340.431	2.309	1	0		EEAFRO
O=c1ccc2c(-c3ccccc3)cc(CCN3CC[NH2+]CC3)nc2[nH]1	ZINC000103281852	219282296	/nfs/dbraw/zinc/28/22/96/219282296.db2.gz	SWBBQNPNAHOSMX-UHFFFAOYSA-N	1	0	334.423	2.450	1	0		EEAFRO
C/C=C1/C[NH2+][C@@H]2C[C@]3(c4ccccc4N(OC)C3=O)[C@@H]3C[C@H]1[C@H]2CO3	ZINC000085531870	560073105	/nfs/dbraw/zinc/07/31/05/560073105.db2.gz	ZXRGGMATGWCUBP-DDVBLMOESA-N	1	0	340.423	2.176	1	0	biogenic,in-vitro	EEAFRO
COC(=O)C[C@@H]1c2ccccc2[NH+]=C(N2CCN(C)CC2)N1C(C)C	ZINC000049872000	214034057	/nfs/dbraw/zinc/03/40/57/214034057.db2.gz	HLWRNIUKLMCYMD-QGZVFWFLSA-N	1	0	344.459	2.250	1	0		EEAFRO
O=C1NC(=O)C2(CC[NH+](CC[C@H]3Cc4ccccc4C(=O)C3)CC2)N1	ZINC000028468529	212620451	/nfs/dbraw/zinc/62/04/51/212620451.db2.gz	GFBHXJNBKTVEMY-ZDUSSCGKSA-N	1	0	341.411	2.336	1	0		EEAFRO
COC1(CNC(C)=O)CC[NH+](CCc2c[nH]c3ccccc23)CC1	ZINC000027992213	212593186	/nfs/dbraw/zinc/59/31/86/212593186.db2.gz	WMSACGLWIQSGCB-UHFFFAOYSA-N	1	0	329.444	2.328	1	0		EEAFRO
CN(c1ccc([C@@]23C[C@@H]2C[NH2+]C3)cc1)S(=O)(=O)c1ccccc1	ZINC000058583822	214596877	/nfs/dbraw/zinc/59/68/77/214596877.db2.gz	KATDCUORFQOJBY-QAPCUYQASA-N	1	0	328.437	2.373	1	0		EEAFRO
O=C1CC[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@@H]1O5	ZINC000169306091	226239472	/nfs/dbraw/zinc/23/94/72/226239472.db2.gz	XNXORWDKIQPSNX-FQZPYLGXSA-N	1	0	325.408	2.411	1	0		EEAFRO
O=C1CC[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CC[N@@H+]3CC2CC2)[C@H]1O5	ZINC000029234657	212658860	/nfs/dbraw/zinc/65/88/60/212658860.db2.gz	XNXORWDKIQPSNX-WZBLMQSHSA-N	1	0	325.408	2.411	1	0		EEAFRO
OCC[C@@H]1CN(Cc2ccccn2)CCN1Cc1ccc(F)cc1	ZINC000096791705	676574743	/nfs/dbraw/zinc/57/47/43/676574743.db2.gz	OOQAVJZCFIKHRF-LJQANCHMSA-N	1	0	329.419	2.290	1	0		EEAFRO
CC[NH+](CC)CCNC(=O)c1ccc([125I])cc1	ZINC000100808213	219107500	/nfs/dbraw/zinc/10/75/00/219107500.db2.gz	HRVWCNMOEFNEON-XSBOKVBDSA-N	1	0	344.213	2.363	1	0		EEAFRO
O=C1c2cc(Cl)cc3cnn(c32)CCN1[C@@H]1C[NH+]2CCC1CC2	ZINC000166524268	534847996	/nfs/dbraw/zinc/84/79/96/534847996.db2.gz	JBVRKZZSTULWTO-OAHLLOKOSA-N	1	0	330.819	2.240	1	0		EEAFRO
O=C1[C@@H]2Cc3ccccc3CN2C(=S)N1CC[NH+]1CCCCC1	ZINC000028523915	212622625	/nfs/dbraw/zinc/62/26/25/212622625.db2.gz	IMLAHLVKCVWMCT-INIZCTEOSA-N	1	0	329.469	2.026	1	0		EEAFRO
O=c1oc2ncccc2n1CCC[NH+]1CCN(c2ccccc2)CC1	ZINC000000016337	135640650	/nfs/dbraw/zinc/64/06/50/135640650.db2.gz	SKULVSPFQNYSFX-UHFFFAOYSA-N	1	0	338.411	2.202	1	0		EEAFRO
Cc1cccc(C)c1OC[C@H](C)Nc1nc(N)nc2c1CC[NH2+]C2	ZINC000067642326	215171931	/nfs/dbraw/zinc/17/19/31/215171931.db2.gz	DJERMENRYNCZBU-ZDUSSCGKSA-N	1	0	327.432	2.201	1	0		EEAFRO
C[NH2+]CCOc1nc2nc(C)cc(Nc3cccc(Cl)c3)n2n1	ZINC000073310685	216377117	/nfs/dbraw/zinc/37/71/17/216377117.db2.gz	HPLAPVWBJNDYOI-UHFFFAOYSA-N	1	0	332.795	2.428	1	0		EEAFRO
O=C(C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1)C2)NC1CC1	ZINC000004908176	210318800	/nfs/dbraw/zinc/31/88/00/210318800.db2.gz	KJTLSXGIBHEINN-AYHJJNSGSA-N	1	0	341.455	2.081	1	0		EEAFRO
CC[NH+]1CCC(n2cc(-c3nnc(-c4cccc(O)c4)o3)nn2)CC1	ZINC000066103802	215011857	/nfs/dbraw/zinc/01/18/57/215011857.db2.gz	GHIYHURSNOFAAQ-UHFFFAOYSA-N	1	0	340.387	2.358	1	0		EEAFRO
O[C@@H]1CC[NH2+][C@H]([C@H]2COC(c3ccccc3)(c3ccccc3)O2)C1	ZINC000049802633	214032661	/nfs/dbraw/zinc/03/26/61/214032661.db2.gz	HKIWVNOCBNBVAO-CEXWTWQISA-N	1	0	325.408	2.416	1	0		EEAFRO
C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@@H]2CCC(=O)N2C2CCCC2)C1	ZINC000004099445	210119099	/nfs/dbraw/zinc/11/90/99/210119099.db2.gz	ODBQOHMVJQEFQL-BQFCYCMXSA-N	1	0	349.519	2.404	1	0		EEAFRO
O=c1cc(OCC[NH2+]CCO)cc2oc(-c3ccccc3)cc(O)c1-2	ZINC000103290690	219284831	/nfs/dbraw/zinc/28/48/31/219284831.db2.gz	ACSSTMARLRNEGD-UHFFFAOYSA-N	1	0	341.363	2.126	1	0		EEAFRO
CC(C)CN1c2nccc[n+]2C[C@@]1(O)c1ccc(Br)cc1	ZINC000072112507	216011461	/nfs/dbraw/zinc/01/14/61/216011461.db2.gz	LBVXWVUCWGTAAU-MRXNPFEDSA-N	1	0	349.252	2.453	1	0		EEAFRO
C/C=C1\C[N@H+]2CC[C@]34C(=O)c5ccccc5N3[C@@H](C(=O)OC)[C@@H]1C[C@@H]24	ZINC000085506202	560074622	/nfs/dbraw/zinc/07/46/22/560074622.db2.gz	PPYARVBMTFPVQA-UCMPRTJASA-N	1	0	338.407	2.024	1	0	biogenic,in-vitro	EEAFRO
COC1=C(C)C(=O)O/C1=C1\O[C@@]23CCC[N@@H+]4CCC[C@H](O2)[C@H]4[C@H]3[C@@H]1C	ZINC000101591782	219143529	/nfs/dbraw/zinc/14/35/29/219143529.db2.gz	LXAQGNNSRKLTLE-KDZIKLRDSA-N	1	0	347.411	2.311	1	0		EEAFRO
CC(C)Cn1c2ccccc2nc1CN1CC[N@H+](C)[C@H](CCO)C1	ZINC000036379976	213091986	/nfs/dbraw/zinc/09/19/86/213091986.db2.gz	VVMOPJSIDOESHF-MRXNPFEDSA-N	1	0	330.476	2.191	3	0		EEAFRO
CC(C)(C)[NH2+]C[C@H](O)COc1ccc(OCCn2cccn2)cc1	ZINC000027556629	212564524	/nfs/dbraw/zinc/56/45/24/212564524.db2.gz	AJATVCKSUBEDCO-HNNXBMFYSA-N	1	0	333.432	2.090	1	0		EEAFRO
CCN1CCN(C(=O)CCC2CC[NH+]([C@H](C)CSC)CC2)CC1	ZINC000023339789	212368999	/nfs/dbraw/zinc/36/89/99/212368999.db2.gz	LYFKSNLUIPHSBK-MRXNPFEDSA-N	1	0	341.565	2.394	1	0		EEAFRO
COc1ccc(C[C@@H]2CNC(=[NH2+])N=C2N)cc1OCc1ccccc1	ZINC000013757873	581096220	/nfs/dbraw/zinc/09/62/20/581096220.db2.gz	SCYCHUCWKNMIIH-OAHLLOKOSA-N	1	0	338.411	2.118	1	0		EEAFRO
COC(=O)C1=C2Nc3ccccc3[C@]23CC[N@@H+]2C[C@@H](C(C)=O)[C@H]1C[C@@H]23	ZINC000049802403	214033245	/nfs/dbraw/zinc/03/32/45/214033245.db2.gz	DHAOEWPYRANXCZ-LROULRCXSA-N	1	0	338.407	2.090	1	0		EEAFRO
COc1cc(C(=O)[C@@H]2C[NH+]=C3C=CC=CN3C2)cc(OC)c1OC	ZINC000049803383	214032612	/nfs/dbraw/zinc/03/26/12/214032612.db2.gz	HTBBFYGSKOOECL-CYBMUJFWSA-N	1	0	328.368	2.309	1	0		EEAFRO
c1cnc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)s2)nc1	ZINC000066258300	215027970	/nfs/dbraw/zinc/02/79/70/215027970.db2.gz	JKTXFSHXVQZAHI-UHFFFAOYSA-N	1	0	330.461	2.450	1	0		EEAFRO
NC(=O)c1ccccc1Nc1ccc(NC(=O)C2CC[NH2+]CC2)cc1	ZINC000095576051	218439841	/nfs/dbraw/zinc/43/98/41/218439841.db2.gz	NUPFJQKBRBZDTI-UHFFFAOYSA-N	1	0	338.411	2.467	1	0		EEAFRO
CN1C[C@H](CC[NH+](C)C)Oc2ncc(Br)cc2C1=S	ZINC000026290266	517907942	/nfs/dbraw/zinc/90/79/42/517907942.db2.gz	YDOUHTHUKILQDC-JTQLQIEISA-N	1	0	344.278	2.164	1	0		EEAFRO
COCc1ncc(C[N@@H+]2CC[C@@](C)(O)[C@@H](Cc3ccccc3)C2)cn1	ZINC000067742405	215200723	/nfs/dbraw/zinc/20/07/23/215200723.db2.gz	OZVDBWXVJKOPFU-AZUAARDMSA-N	1	0	341.455	2.439	1	0		EEAFRO
CN1CC[NH+](CCCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1	ZINC000019367808	212023102	/nfs/dbraw/zinc/02/31/02/212023102.db2.gz	QBNSFPUTIZQTEI-UHFFFAOYSA-N	1	0	338.459	2.319	1	0		EEAFRO
O=c1c(Br)cc(Br)c2n1C[C@@H]1C[NH2+]C[C@H]2C1	ZINC000013519524	211569874	/nfs/dbraw/zinc/56/98/74/211569874.db2.gz	UIRFWXCFBPYLDL-NKWVEPMBSA-N	1	0	348.038	2.080	1	0		EEAFRO
COc1cc2c(cc1OC)[C@@]13C[C@@H](OC)C=CC1=CC[N@@H+]3C[C@@H]2O	ZINC000085730798	560066848	/nfs/dbraw/zinc/06/68/48/560066848.db2.gz	QWWCVLZNFFVFTR-IYJAJMOOSA-N	1	0	329.396	2.163	1	0	biogenic,in-vitro	EEAFRO
CN1CCN(Cc2ccc(Cl)cc2Cl)C[C@@H]1C1=[NH+]CCN1	ZINC000055906563	214347805	/nfs/dbraw/zinc/34/78/05/214347805.db2.gz	SZWREMOBIUBYDP-CQSZACIVSA-N	1	0	327.259	2.111	1	0		EEAFRO
Cc1nc(C(=O)N2CCOCC2)cc(-c2ccc(F)cc2)c1C[NH3+]	ZINC000066103629	215011884	/nfs/dbraw/zinc/01/18/84/215011884.db2.gz	MJWYTEITVFTIRJ-UHFFFAOYSA-N	1	0	329.375	2.127	1	0		EEAFRO
Oc1ccc2c(c1)OC[C@H]([NH+]1CCC(O)(c3ccccc3)CC1)[C@@H]2O	ZINC000003798484	210075203	/nfs/dbraw/zinc/07/52/03/210075203.db2.gz	CUYIBIIXRWZLMQ-PKOBYXMFSA-N	1	0	341.407	2.170	1	0		EEAFRO
CS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@@H]1CC[NH2+]C1	ZINC000040916832	213399676	/nfs/dbraw/zinc/39/96/76/213399676.db2.gz	HUGQKIWTNMQGCP-QGZVFWFLSA-N	1	0	330.453	2.477	1	0		EEAFRO
C[C@@H]1[C@@H]2Cc3ccc(C(N)=O)cc3[C@@]1(C)CC[N@@H+]2C[C@@H]1CCCO1	ZINC000040873138	213395634	/nfs/dbraw/zinc/39/56/34/213395634.db2.gz	OWRBBFHZDDJXIW-BPODSCFKSA-N	1	0	328.456	2.489	1	0		EEAFRO
CCOC(=O)c1noc2nc(C)nc(NCC[NH+]3CCC(C)CC3)c21	ZINC000021539140	212231353	/nfs/dbraw/zinc/23/13/53/212231353.db2.gz	QSZHYIBCZDCNSS-UHFFFAOYSA-N	1	0	347.419	2.247	1	0		EEAFRO
O[C@@H]1CC[NH2+][C@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1	ZINC000049802634	214033089	/nfs/dbraw/zinc/03/30/89/214033089.db2.gz	HKIWVNOCBNBVAO-QYZOEREBSA-N	1	0	325.408	2.416	1	0		EEAFRO
C[n+]1cccc(C(=O)Nc2ccc([125I])cc2)c1	ZINC000102087912	219185797	/nfs/dbraw/zinc/18/57/97/219185797.db2.gz	VEOYZOIQVXBOEJ-XSBOKVBDSA-O	1	0	337.157	2.368	1	0		EEAFRO
Nc1ccc2c(-c3ccccc3)cc(CCN3CC[NH2+]CC3)nc2n1	ZINC000103281843	219282009	/nfs/dbraw/zinc/28/20/09/219282009.db2.gz	NDZWYDXLZYFLOO-UHFFFAOYSA-N	1	0	333.439	2.327	1	0		EEAFRO
C[C@H]1OC2(CC[NH+](CCc3c[nH]c4ccccc34)CC2)CNC1=O	ZINC000027902793	212585032	/nfs/dbraw/zinc/58/50/32/212585032.db2.gz	TWXMNMCWVZGJOB-CQSZACIVSA-N	1	0	327.428	2.080	1	0		EEAFRO
Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3[NH3+])cnc2C(N)=O)c1	ZINC000003994669	210096823	/nfs/dbraw/zinc/09/68/23/210096823.db2.gz	JZTOUVBEZONDKA-UONOGXRCSA-N	1	0	340.431	2.309	1	0		EEAFRO
CC[NH+](CC)CCCN1C(=O)C[C@@]2(CCCc3ccc(O)cc32)C1=O	ZINC000027561986	212565513	/nfs/dbraw/zinc/56/55/13/212565513.db2.gz	KNONRARFHQFNDP-HXUWFJFHSA-N	1	0	344.455	2.457	1	0		EEAFRO
CC(C)[N@@H+]1CCN(Cc2cc3c(cc2Cl)OCO3)C[C@@H]1CCO	ZINC000022932852	212336294	/nfs/dbraw/zinc/33/62/94/212336294.db2.gz	NOWUGUFGOPPHSG-AWEZNQCLSA-N	1	0	340.851	2.346	3	0		EEAFRO
COc1cc(Cl)cn2c(-c3cccc(NC4C[NH2+]C4)n3)cnc12	ZINC000169303156	533963301	/nfs/dbraw/zinc/96/33/01/533963301.db2.gz	JIGAGGIJXJGNKQ-UHFFFAOYSA-N	1	0	329.791	2.442	1	0		EEAFRO
C1CC[C@H]2S[C@H](NC3=[NH+]CN(C4CCCCCC4)CN3)N[C@@H]2C1	ZINC000169300422	526423059	/nfs/dbraw/zinc/42/30/59/526423059.db2.gz	VWYPFCRPUPGYHO-INMHGKMJSA-N	1	0	337.537	2.406	1	0		EEAFRO
C[C@@H](c1ccc(-c2ccc(=O)[nH]c2)cc1)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1	ZINC000014947691	581095218	/nfs/dbraw/zinc/09/52/18/581095218.db2.gz	IJEMGTWZSQLNEU-IWEFOYFVSA-N	1	0	343.402	2.043	1	0		EEAFRO
COc1cccc(-c2nnc(-c3cn(C4CC[NH+](C)CC4)nn3)o2)c1	ZINC000066103067	215011316	/nfs/dbraw/zinc/01/13/16/215011316.db2.gz	MVCUVODOAHKBNO-UHFFFAOYSA-N	1	0	340.387	2.270	1	0		EEAFRO
CS(=O)(=O)c1ccccc1C[C@H](c1ccccc1)N1CC[NH2+]CC1	ZINC000036093248	213063110	/nfs/dbraw/zinc/06/31/10/213063110.db2.gz	QJMPSMDQYHMYSR-GOSISDBHSA-N	1	0	344.480	2.279	1	0		EEAFRO
Cc1cccc(Nc2nc(N[C@H]3CCCC[C@@H]3[NH3+])cnc2C(N)=O)c1	ZINC000073275240	216372600	/nfs/dbraw/zinc/37/26/00/216372600.db2.gz	JZTOUVBEZONDKA-KBPBESRZSA-N	1	0	340.431	2.309	1	0		EEAFRO
O[C@@H]1[C@H](Oc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1COc2ccccc2O1	ZINC000040492299	213320410	/nfs/dbraw/zinc/32/04/10/213320410.db2.gz	STBHTUOPFMOXDX-GJJHYRHESA-N	1	0	341.407	2.387	1	0		EEAFRO
Nc1nc2c3cc(Cl)ccc3oc2c(N2C[C@H]3CC[NH2+][C@@H]3C2)n1	ZINC000073156192	216357222	/nfs/dbraw/zinc/35/72/22/216357222.db2.gz	DSARWPRWXDBOQN-LDYMZIIASA-N	1	0	329.791	2.410	1	0		EEAFRO
Cn1cc(C[N@H+](C)CCCN2CCOCC2)c(-c2ccccc2F)n1	ZINC000096431885	679889942	/nfs/dbraw/zinc/88/99/42/679889942.db2.gz	DJOASIDIFGROAX-UHFFFAOYSA-N	1	0	346.450	2.380	3	0		EEAFRO
C[C@@H](c1ccc(Br)cc1)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1	ZINC000053287666	214174794	/nfs/dbraw/zinc/17/47/94/214174794.db2.gz	ZHNBEQRHEJAAIE-XDTLVQLUSA-N	1	0	329.213	2.450	1	0		EEAFRO
C[C@H](c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CC[NH2+]CC1	ZINC000026293779	212513978	/nfs/dbraw/zinc/51/39/78/212513978.db2.gz	WBQUFHUILUVRPB-OAHLLOKOSA-N	1	0	330.453	2.486	1	0		EEAFRO
C[C@H](NC(=O)c1cncc(N2C[C@H]3C[NH2+]C[C@H]3C2)c1)c1ccccc1	ZINC000073157139	216358263	/nfs/dbraw/zinc/35/82/63/216358263.db2.gz	MRWXXCJABKSUFB-JCGIZDLHSA-N	1	0	336.439	2.228	1	0		EEAFRO
COc1ccc(CCn2nnn[n+]2C2(c3ccc(C)cc3)CC2)cc1	ZINC000038149896	213203355	/nfs/dbraw/zinc/20/33/55/213203355.db2.gz	WDLQOFFPNGGHHE-UHFFFAOYSA-N	1	0	336.419	2.058	1	0		EEAFRO
CN(C)CC[NH2+]C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1	ZINC000022872559	212330927	/nfs/dbraw/zinc/33/09/27/212330927.db2.gz	GQDCCQZLTJWGAC-IBGZPJMESA-N	1	0	338.451	2.439	1	0		EEAFRO
C1CC[C@@H]2S[C@H](NC3=[NH+]CN(C4CCCCCC4)CN3)N[C@@H]2C1	ZINC000072104350	216008396	/nfs/dbraw/zinc/00/83/96/216008396.db2.gz	VWYPFCRPUPGYHO-VYDXJSESSA-N	1	0	337.537	2.406	1	0		EEAFRO
O=C(Nc1cccc(Cl)c1)c1cncc(N2C[C@H]3C[NH2+]C[C@H]3C2)n1	ZINC000073168436	216359788	/nfs/dbraw/zinc/35/97/88/216359788.db2.gz	HAJKIYUDWKXUFT-TXEJJXNPSA-N	1	0	343.818	2.038	1	0		EEAFRO
COc1cccc(S(=O)(=O)c2ccc3c(c2)O[C@H]2C[NH2+]CC[C@@H]32)c1	ZINC000073241811	216368058	/nfs/dbraw/zinc/36/80/58/216368058.db2.gz	OAQFMIPANPFIIZ-WMZOPIPTSA-N	1	0	345.420	2.366	1	0		EEAFRO