smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O[C@](C#CC[N@H+]1CC[C@H](c2ccccc2)C1)(c1ccccc1)C1CCCCC1 ZINC000002280894 210151190 /nfs/dbraw/zinc/15/11/90/210151190.db2.gz ZKEKBMWWMAZJKJ-JYFHCDHNSA-N 1 1 373.540 4.947 50 30 FJEAMO C[NH2+][C@@]1(c2ccccc2)Oc2ccccc2C(C#Cc2ccccc2)=C1C ZINC000022343281 203865086 /nfs/dbraw/zinc/86/50/86/203865086.db2.gz OSFTWSIXNUFEAM-RUZDIDTESA-N 1 1 351.449 4.977 50 30 FJEAMO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)c2nc3ccccc3[nH]2)cc1OC ZINC000055308378 519005682 /nfs/dbraw/zinc/00/56/82/519005682.db2.gz WHPBXMMPEZMBNB-CYBMUJFWSA-N 1 1 371.868 4.641 50 30 FJEAMO CC(C)[N@@H+](CC#CC(O)(c1ccccc1)c1ccccc1)Cc1ccccc1 ZINC000061864789 519635215 /nfs/dbraw/zinc/63/52/15/519635215.db2.gz NOBBVCNKCWXRGA-UHFFFAOYSA-N 1 1 369.508 4.837 50 30 FJEAMO CCOc1ccc(NC(=[NH+]c2ccccc2C)n2sc(C)cc2=N)cc1 ZINC000020176264 520859375 /nfs/dbraw/zinc/85/93/75/520859375.db2.gz VACXJGAHCKMICF-UHFFFAOYSA-N 1 1 366.490 4.693 50 30 FJEAMO O=C(Nc1ccccc1)ON=C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccs1 ZINC000059602180 527395358 /nfs/dbraw/zinc/39/53/58/527395358.db2.gz XCBKJYDFFMIZCC-HDICACEKSA-N 1 1 369.490 4.870 50 30 FJEAMO CCOc1ccc([NH+]=C(C)/C=C2/SC[C@](C)(O)N2c2ccccc2)cc1 ZINC000584904443 570664601 /nfs/dbraw/zinc/66/46/01/570664601.db2.gz HSJFXOXQMDHTDY-WBXFADOJSA-N 1 1 368.502 4.981 50 30 FJEAMO C/C(=N\N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)c1cccs1 ZINC000012342957 570738299 /nfs/dbraw/zinc/73/82/99/570738299.db2.gz AYROKCVIGDWNMU-JJIBRWJFSA-N 1 1 373.525 4.860 50 30 FJEAMO O[C@@](C#CC[N@H+]1CC[C@@H](c2ccccc2)C1)(c1ccccc1)C1CCCCC1 ZINC000013427205 571083382 /nfs/dbraw/zinc/08/33/82/571083382.db2.gz ZKEKBMWWMAZJKJ-BVAGGSTKSA-N 1 1 373.540 4.947 50 30 FJEAMO CC(C)[C@@](O)(CC#CC[N@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2)c1ccccc1 ZINC000002101267 571276958 /nfs/dbraw/zinc/27/69/58/571276958.db2.gz MNBYKMIRWHPDPD-JRFVFWCSSA-N 1 1 353.550 4.824 50 30 FJEAMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000096003600 571333817 /nfs/dbraw/zinc/33/38/17/571333817.db2.gz YJGBRPGAQBAIFW-SFHVURJKSA-N 1 1 357.457 4.725 50 30 FJEAMO C[NH+](C)[C@@H](CNc1oc(-c2cccs2)nc1C#N)c1ccccc1Cl ZINC000027990995 571337412 /nfs/dbraw/zinc/33/74/12/571337412.db2.gz HXIDNMWZSZGQRP-HNNXBMFYSA-N 1 1 372.881 4.643 50 30 FJEAMO CN(C)/C=[NH+]/c1c(/N=N/c2ccc([N+](=O)[O-])cc2)c2ccccc2n1C ZINC000004732975 204159113 /nfs/dbraw/zinc/15/91/13/204159113.db2.gz GMAMUUIIJNFQFG-XXKASZFSSA-N 1 1 350.382 4.723 50 30 FJEAMO C/C(=N/N1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccc2ccccc2c1 ZINC000020101089 211267409 /nfs/dbraw/zinc/26/74/09/211267409.db2.gz DMMLDILUVGUVPG-QQTULTPQSA-N 1 1 357.501 4.690 50 30 FJEAMO [NH2+]=C(NOC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 ZINC000004318541 132386908 /nfs/dbraw/zinc/38/69/08/132386908.db2.gz XRFDZKJRFNOXPU-UHFFFAOYSA-N 1 1 361.426 4.746 50 30 FJEAMO C#CC[N@H+](Cc1nc(-c2ccccc2OCC)oc1C)C1CCCCC1 ZINC000020202267 518261943 /nfs/dbraw/zinc/26/19/43/518261943.db2.gz BZBGYPRQLVLNLL-UHFFFAOYSA-N 1 1 352.478 4.817 50 30 FJEAMO C=CC[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(OC)c1 ZINC000035841031 518788359 /nfs/dbraw/zinc/78/83/59/518788359.db2.gz RXHANBUCPXEGNE-UHFFFAOYSA-N 1 1 364.464 4.872 50 30 FJEAMO C=CC[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(OC)c1 ZINC000035841031 518788368 /nfs/dbraw/zinc/78/83/68/518788368.db2.gz RXHANBUCPXEGNE-UHFFFAOYSA-N 1 1 364.464 4.872 50 30 FJEAMO CCCCN(C)c1ccc(/C=[NH+]/NC(=S)Nc2cccc(C)c2C)cc1 ZINC000003049633 520433941 /nfs/dbraw/zinc/43/39/41/520433941.db2.gz FHBWWDOPZXUADH-PXLXIMEGSA-N 1 1 368.550 4.860 50 30 FJEAMO Cc1c2ccccc2oc1C(=O)ONC(=[NH2+])c1ccc(C(C)(C)C)cc1 ZINC000004336074 525983513 /nfs/dbraw/zinc/98/35/13/525983513.db2.gz ZNBWZBTZPDDMAP-UHFFFAOYSA-N 1 1 350.418 4.516 50 30 FJEAMO Cc1cc(=N)n(C(Nc2ccccc2)=[NH+]Cc2ccc(Cl)cc2)s1 ZINC000020343855 526097816 /nfs/dbraw/zinc/09/78/16/526097816.db2.gz SBIPGAGLVMTBIS-UHFFFAOYSA-N 1 1 356.882 4.507 50 30 FJEAMO Cc1cc(N2CCCC2)ccc1C=[NH+]Nc1ccc(Br)cc1 ZINC000004620830 570598006 /nfs/dbraw/zinc/59/80/06/570598006.db2.gz SEFAZXLHSCPLLP-DEDYPNTBSA-N 1 1 358.283 4.804 50 30 FJEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccc(C(C)(C)C)cc3)CC2)c(C)c1 ZINC000027527935 571012913 /nfs/dbraw/zinc/01/29/13/571012913.db2.gz GJLZQZRXLCBBEK-KOEQRZSOSA-N 1 1 363.549 4.753 50 30 FJEAMO N#Cc1ccc(COCC2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000077191696 571139794 /nfs/dbraw/zinc/13/97/94/571139794.db2.gz BXPLOYAJEOUSFS-UHFFFAOYSA-N 1 1 372.871 4.780 50 30 FJEAMO C#CC[N@H+](Cc1nc(-c2cc(OC)ccc2F)oc1C)C1CCCCC1 ZINC000020907610 571141643 /nfs/dbraw/zinc/14/16/43/571141643.db2.gz RDBIQBOIEPSTCA-UHFFFAOYSA-N 1 1 356.441 4.566 50 30 FJEAMO CCCCN(C)c1ccc(/C=[NH+]\NC(=S)Nc2ccccc2CC)cc1 ZINC000033096912 571155268 /nfs/dbraw/zinc/15/52/68/571155268.db2.gz OMPBLJYQPKURNN-JWGURIENSA-N 1 1 368.550 4.806 50 30 FJEAMO COc1ccc([NH+]=C(C)/C=C2\SC[C@@](C)(O)N2c2ccccc2)cc1 ZINC000334157261 571212192 /nfs/dbraw/zinc/21/21/92/571212192.db2.gz FUARADYNYXZGBL-QFMCAGAXSA-N 1 1 354.475 4.591 50 30 FJEAMO COc1ccc([NH+]=C(C)/C=C2/SC[C@](C)(O)N2c2ccccc2)cc1 ZINC000334157264 571212200 /nfs/dbraw/zinc/21/22/00/571212200.db2.gz FUARADYNYXZGBL-XJRCNUGLSA-N 1 1 354.475 4.591 50 30 FJEAMO O=C(Nc1ccccc1)ON=C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000004363432 204135487 /nfs/dbraw/zinc/13/54/87/204135487.db2.gz ADSVGKGPAPLVBG-OYRHEFFESA-N 1 1 363.461 4.808 50 30 FJEAMO C[N@H+]1CCc2nc(SCc3ccc(C(C)(C)C)cc3)c(C#N)cc2C1 ZINC000019816225 204708861 /nfs/dbraw/zinc/70/88/61/204708861.db2.gz QUSBGZALSYYJMB-UHFFFAOYSA-N 1 1 351.519 4.531 50 30 FJEAMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sccc1C#N)c1ccc(Cl)cc1Cl ZINC000057815972 205245757 /nfs/dbraw/zinc/24/57/57/205245757.db2.gz YWJBVJCTTCMDTH-ZJUUUORDSA-N 1 1 368.289 4.604 50 30 FJEAMO C=C(C)COc1c(C[N@H+]2CCC[C@H]2c2c(C)noc2C)cccc1OC ZINC000055414850 518609738 /nfs/dbraw/zinc/60/97/38/518609738.db2.gz IEVIZZYTYOFACD-SFHVURJKSA-N 1 1 356.466 4.592 50 30 FJEAMO C=CCc1cc(OC)ccc1OCCC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000008744519 519132060 /nfs/dbraw/zinc/13/20/60/519132060.db2.gz KBPNRRMEVUKGDM-QFIPXVFZSA-N 1 1 366.505 4.815 50 30 FJEAMO C=CCc1cc(OC)ccc1OCCC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000008744518 519133140 /nfs/dbraw/zinc/13/31/40/519133140.db2.gz KBPNRRMEVUKGDM-JOCHJYFZSA-N 1 1 366.505 4.815 50 30 FJEAMO CC(C)Cc1ccc([C@H](C)C(=O)ONC(=[NH2+])c2ccc(Cl)cc2)cc1 ZINC000004390537 519447892 /nfs/dbraw/zinc/44/78/92/519447892.db2.gz GSIZAZSGCDNUET-AWEZNQCLSA-N 1 1 358.869 4.506 50 30 FJEAMO CCOC(=O)c1ccc2c(c1)N(CC)/C(=C/C=[NH+]c1ccccc1)N2CC ZINC000254733889 521531534 /nfs/dbraw/zinc/53/15/34/521531534.db2.gz LNCXUZHUVRPLPZ-QNAYOYHGSA-N 1 1 363.461 4.773 50 30 FJEAMO CS/C(=N\CCC[N+](C)(C)C)N(Cc1ccccc1)Cc1ccccc1 ZINC000005881485 525285813 /nfs/dbraw/zinc/28/58/13/525285813.db2.gz MXPAGJQEKIDBGK-FCQUAONHSA-N 1 1 370.586 4.504 50 30 FJEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3cccc4ccccc34)CC2)c(C)c1 ZINC000019791184 570902872 /nfs/dbraw/zinc/90/28/72/570902872.db2.gz HFOGWPOXWPBWSS-KOEQRZSOSA-N 1 1 357.501 4.608 50 30 FJEAMO C=CCOc1ccc(C[N@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)cc1 ZINC000058157803 571062822 /nfs/dbraw/zinc/06/28/22/571062822.db2.gz KHHQMEORAWVOJD-UHFFFAOYSA-N 1 1 363.457 4.607 50 30 FJEAMO C=CCc1cc(C[N@H+]2CC[C@@H](c3ccnc(-c4ccncc4)c3)C2)ccc1O ZINC000065453794 571074199 /nfs/dbraw/zinc/07/41/99/571074199.db2.gz MHVRPFUBGUWRAA-JOCHJYFZSA-N 1 1 371.484 4.567 50 30 FJEAMO C#CC[N@H+](Cc1nc(-c2ccc(OC)cc2F)oc1C)C1CCCCC1 ZINC000019789777 571140972 /nfs/dbraw/zinc/14/09/72/571140972.db2.gz IXGHRIYMZNJPFO-UHFFFAOYSA-N 1 1 356.441 4.566 50 30 FJEAMO CS/C(=N/CCC[N+](C)(C)C)N(Cc1ccccc1)Cc1ccccc1 ZINC000367895573 571160353 /nfs/dbraw/zinc/16/03/53/571160353.db2.gz MXPAGJQEKIDBGK-GHVJWSGMSA-N 1 1 370.586 4.504 50 30 FJEAMO CC1(C)C(=O)N(c2ccccc2)/C(=N/C2CCCCC2)[C@H]1[NH+]1CCCCC1 ZINC000021152105 211309453 /nfs/dbraw/zinc/30/94/53/211309453.db2.gz PYKCPISEDCPFLK-LWGCSBEDSA-N 1 1 367.537 4.645 50 30 FJEAMO [NH2+]=C(Cc1ccc(Cl)cc1Cl)NOC(=O)c1cccc2ccccc21 ZINC000005013887 263337990 /nfs/dbraw/zinc/33/79/90/263337990.db2.gz IVKMXZMFDPLZRJ-UHFFFAOYSA-N 1 1 373.239 4.818 50 30 FJEAMO C=CCOc1ccc(C[N@H+](C)Cc2c(O)ccc3ccc(OC)cc32)cc1 ZINC000007100270 263349319 /nfs/dbraw/zinc/34/93/19/263349319.db2.gz BWKRNJKPNILHLH-UHFFFAOYSA-N 1 1 363.457 4.751 50 30 FJEAMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000025949263 518196786 /nfs/dbraw/zinc/19/67/86/518196786.db2.gz ORZNDDKGJNLALY-DEOSSOPVSA-N 1 1 354.453 4.799 50 30 FJEAMO CCCCCSc1nc2c(c(-c3cccs3)c1C#N)C[N@@H+](C)CC2 ZINC000019852794 520272056 /nfs/dbraw/zinc/27/20/56/520272056.db2.gz AVKWFSZSFQDFAA-UHFFFAOYSA-N 1 1 357.548 4.952 50 30 FJEAMO Cc1ccccc1[NH+]=C(NCCc1c[nH]c2ccccc12)NC(=O)C1CC1 ZINC000032943059 525042921 /nfs/dbraw/zinc/04/29/21/525042921.db2.gz WYYPUKLKKRLPGX-UHFFFAOYSA-N 1 1 360.461 4.663 50 30 FJEAMO C=CCn1cc(C[N@H+](Cc2cccnc2)[C@H]2CCCc3ccccc32)c(C)n1 ZINC000055243451 571058661 /nfs/dbraw/zinc/05/86/61/571058661.db2.gz KOGCQTAGXBORSU-DEOSSOPVSA-N 1 1 372.516 4.852 50 30 FJEAMO C=CCn1cc(C[N@@H+](Cc2cccnc2)[C@H]2CCCc3ccccc32)c(C)n1 ZINC000055243451 571058663 /nfs/dbraw/zinc/05/86/63/571058663.db2.gz KOGCQTAGXBORSU-DEOSSOPVSA-N 1 1 372.516 4.852 50 30 FJEAMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000025949777 571089554 /nfs/dbraw/zinc/08/95/54/571089554.db2.gz JIQXHTCQUOFPGP-DEOSSOPVSA-N 1 1 372.443 4.938 50 30 FJEAMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000025949777 571089556 /nfs/dbraw/zinc/08/95/56/571089556.db2.gz JIQXHTCQUOFPGP-DEOSSOPVSA-N 1 1 372.443 4.938 50 30 FJEAMO C=CC[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000035841027 571206532 /nfs/dbraw/zinc/20/65/32/571206532.db2.gz TUADPVCRSPRYJE-UHFFFAOYSA-N 1 1 364.464 4.872 50 30 FJEAMO C[C@H](c1ccccn1)[N@@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000096003601 571333794 /nfs/dbraw/zinc/33/37/94/571333794.db2.gz YJGBRPGAQBAIFW-GOSISDBHSA-N 1 1 357.457 4.725 50 30 FJEAMO C[NH+](C)[C@H](CNc1oc(-c2ccccc2)nc1C#N)c1ccccc1Cl ZINC000027990979 571337391 /nfs/dbraw/zinc/33/73/91/571337391.db2.gz IVEYBMMAJWQXGM-GOSISDBHSA-N 1 1 366.852 4.581 50 30 FJEAMO CCCN(C)c1ccc(/C=[NH+]/NC(=S)Nc2ccc(C(C)C)cc2)cc1 ZINC000003051098 204075294 /nfs/dbraw/zinc/07/52/94/204075294.db2.gz CXSKWESPOMNXAH-PXLXIMEGSA-N 1 1 368.550 4.977 50 30 FJEAMO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1nc2ccccc2s1 ZINC000050097573 206097953 /nfs/dbraw/zinc/09/79/53/206097953.db2.gz ACSQYWCPENKNLI-UHFFFAOYSA-N 1 1 365.502 4.839 50 30 FJEAMO COc1ccc(CC[N@@H+](C)CCC[C@H](C#N)c2ccccc2C)cc1OC ZINC000006208051 523939947 /nfs/dbraw/zinc/93/99/47/523939947.db2.gz RUVKGJRDWNRUPP-HXUWFJFHSA-N 1 1 366.505 4.574 50 30 FJEAMO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2nc(-c3c[nH]c4ccccc43)cs2)C1 ZINC000049655139 570965060 /nfs/dbraw/zinc/96/50/60/570965060.db2.gz SMTGSHJWNMDDKA-ZIAGYGMSSA-N 1 1 368.506 4.857 50 30 FJEAMO CC(=NN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)c1cccs1 ZINC000004183697 571062742 /nfs/dbraw/zinc/06/27/42/571062742.db2.gz AYROKCVIGDWNMU-UHFFFAOYSA-N 1 1 373.525 4.860 50 30 FJEAMO C/C(=N\N1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000033341238 571064033 /nfs/dbraw/zinc/06/40/33/571064033.db2.gz DILBUHCKCAORLV-PXLXIMEGSA-N 1 1 362.304 4.535 50 30 FJEAMO C(=N/N1CC[NH+](Cc2ccccc2)CC1)\c1ccc(-c2ccccc2)cc1 ZINC000019879673 571125804 /nfs/dbraw/zinc/12/58/04/571125804.db2.gz IXFVKBVTWWQIMO-NCELDCMTSA-N 1 1 355.485 4.505 50 30 FJEAMO C(=NN1CC[NH+](Cc2ccccc2)CC1)c1cccc(Oc2ccccc2)c1 ZINC000002695801 571307917 /nfs/dbraw/zinc/30/79/17/571307917.db2.gz NACDIMVLKYHRRO-UHFFFAOYSA-N 1 1 371.484 4.631 50 30 FJEAMO C=CCC1(CC=C)CCCC[N@@H+]1Cc1nc(-c2ccc(OC)cc2)no1 ZINC000012073616 210139273 /nfs/dbraw/zinc/13/92/73/210139273.db2.gz UNEFZVAVDTWVPE-UHFFFAOYSA-N 1 1 353.466 4.622 50 30 FJEAMO C[C@H](c1ccco1)[N@H+](C)Cc1cccc(C(=O)Nc2sccc2C#N)c1 ZINC000067458403 205373472 /nfs/dbraw/zinc/37/34/72/205373472.db2.gz VXSSYAOQKQGQEP-CQSZACIVSA-N 1 1 365.458 4.658 50 30 FJEAMO C[C@H](c1ccco1)[N@@H+](C)Cc1cccc(C(=O)Nc2sccc2C#N)c1 ZINC000067458403 205373476 /nfs/dbraw/zinc/37/34/76/205373476.db2.gz VXSSYAOQKQGQEP-CQSZACIVSA-N 1 1 365.458 4.658 50 30 FJEAMO C[N@H+]1CCc2nc(SCc3c(Cl)cccc3Cl)c(C#N)cc2C1 ZINC000019597388 211239926 /nfs/dbraw/zinc/23/99/26/211239926.db2.gz LQWZNQOTPIBRNG-UHFFFAOYSA-N 1 1 364.301 4.540 50 30 FJEAMO C=C(C)COc1c(C[N@H+]2CCC[C@@H]2c2c(C)noc2C)cccc1OC ZINC000055414851 518609594 /nfs/dbraw/zinc/60/95/94/518609594.db2.gz IEVIZZYTYOFACD-GOSISDBHSA-N 1 1 356.466 4.592 50 30 FJEAMO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)c2nc3ccccc3[nH]2)cc1OC ZINC000055308377 519006087 /nfs/dbraw/zinc/00/60/87/519006087.db2.gz WHPBXMMPEZMBNB-ZDUSSCGKSA-N 1 1 371.868 4.641 50 30 FJEAMO CC(C)Cc1ccc([C@@H](C)C(=O)ONC(=[NH2+])c2ccc(Cl)cc2)cc1 ZINC000004390536 519446830 /nfs/dbraw/zinc/44/68/30/519446830.db2.gz GSIZAZSGCDNUET-CQSZACIVSA-N 1 1 358.869 4.506 50 30 FJEAMO Cc1cc(N2CCCC2)ccc1C=[NH+]Nc1ccc(Br)cc1 ZINC000252627927 570624595 /nfs/dbraw/zinc/62/45/95/570624595.db2.gz SEFAZXLHSCPLLP-UHFFFAOYSA-N 1 1 358.283 4.804 50 30 FJEAMO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(Cl)cc1Cl ZINC000032832314 570818801 /nfs/dbraw/zinc/81/88/01/570818801.db2.gz LMTODGSWFBBOBF-GFCCVEGCSA-N 1 1 354.281 4.827 50 30 FJEAMO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(Cl)cc1Cl ZINC000032832318 570818843 /nfs/dbraw/zinc/81/88/43/570818843.db2.gz LMTODGSWFBBOBF-LBPRGKRZSA-N 1 1 354.281 4.827 50 30 FJEAMO C=CCn1cc(C[N@H+](Cc2cccnc2)[C@@H]2CCCc3ccccc32)c(C)n1 ZINC000055243446 571058539 /nfs/dbraw/zinc/05/85/39/571058539.db2.gz KOGCQTAGXBORSU-XMMPIXPASA-N 1 1 372.516 4.852 50 30 FJEAMO C=CCn1cc(C[N@@H+](Cc2cccnc2)[C@@H]2CCCc3ccccc32)c(C)n1 ZINC000055243446 571058542 /nfs/dbraw/zinc/05/85/42/571058542.db2.gz KOGCQTAGXBORSU-XMMPIXPASA-N 1 1 372.516 4.852 50 30 FJEAMO CCCCN(C)c1ccc(/C=[NH+]\NC(=S)Nc2ccc(CC)cc2)cc1 ZINC000033096916 571155251 /nfs/dbraw/zinc/15/52/51/571155251.db2.gz DDSILRGIRJHNMK-JWGURIENSA-N 1 1 368.550 4.806 50 30 FJEAMO O[C@@](C#CC[N@H+]1CC[C@H](c2ccccc2)C1)(c1ccccc1)C1CCCCC1 ZINC000101251919 210103130 /nfs/dbraw/zinc/10/31/30/210103130.db2.gz ZKEKBMWWMAZJKJ-OZXSUGGESA-N 1 1 373.540 4.947 50 30 FJEAMO CCOc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)ccc1OC(F)F ZINC000016419330 211160490 /nfs/dbraw/zinc/16/04/90/211160490.db2.gz MUKUQJSVCHTFJV-UHFFFAOYSA-N 1 1 372.415 4.723 50 30 FJEAMO C=CCC[C@H](O)C[N@@H+](Cc1cccn1Cc1ccccc1C)CC(C)C ZINC000004711077 263336346 /nfs/dbraw/zinc/33/63/46/263336346.db2.gz LTQNMEBNNOGKRL-QHCPKHFHSA-N 1 1 354.538 4.630 50 30 FJEAMO CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000082108696 520961008 /nfs/dbraw/zinc/96/10/08/520961008.db2.gz BKTXEUOUKFEWRG-UHFFFAOYSA-N 1 1 350.821 4.598 50 30 FJEAMO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000082108696 520961016 /nfs/dbraw/zinc/96/10/16/520961016.db2.gz BKTXEUOUKFEWRG-UHFFFAOYSA-N 1 1 350.821 4.598 50 30 FJEAMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1 ZINC000226757101 524114573 /nfs/dbraw/zinc/11/45/73/524114573.db2.gz ANRYFFWMRUYETD-VRYNMQIDSA-N 1 1 360.457 4.820 50 30 FJEAMO Cc1ccc(C[NH+]2CCN(N=Cc3cccc4ccccc34)CC2)c(C)c1 ZINC000244659603 524461608 /nfs/dbraw/zinc/46/16/08/524461608.db2.gz HFOGWPOXWPBWSS-UHFFFAOYSA-N 1 1 357.501 4.608 50 30 FJEAMO CCCN(CC)c1ccc(/C=[NH+]\NC(=S)Nc2cc(C)ccc2C)cc1 ZINC000033096954 571155452 /nfs/dbraw/zinc/15/54/52/571155452.db2.gz WWLUYSHLRHHOFX-JCMHNJIXSA-N 1 1 368.550 4.860 50 30 FJEAMO C=CCc1cc(C[N@H+]2CC[C@H](c3ccnc(-c4ccncc4)c3)C2)ccc1O ZINC000065453789 210099374 /nfs/dbraw/zinc/09/93/74/210099374.db2.gz MHVRPFUBGUWRAA-QFIPXVFZSA-N 1 1 371.484 4.567 50 30 FJEAMO C=CCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 ZINC000002974684 219479384 /nfs/dbraw/zinc/47/93/84/219479384.db2.gz OZJPUTIIPKBAKR-UHFFFAOYSA-N 1 1 356.429 4.694 50 30 FJEAMO C[C@@H](c1ccco1)[N@H+](C)Cc1cccc(C(=O)Nc2sccc2C#N)c1 ZINC000067458401 205373539 /nfs/dbraw/zinc/37/35/39/205373539.db2.gz VXSSYAOQKQGQEP-AWEZNQCLSA-N 1 1 365.458 4.658 50 30 FJEAMO C[C@@H](c1ccco1)[N@@H+](C)Cc1cccc(C(=O)Nc2sccc2C#N)c1 ZINC000067458401 205373542 /nfs/dbraw/zinc/37/35/42/205373542.db2.gz VXSSYAOQKQGQEP-AWEZNQCLSA-N 1 1 365.458 4.658 50 30 FJEAMO CCOc1ccc([NH+]=C(C)/C=C2\SC[C@](C)(O)N2c2ccccc2)cc1 ZINC000584904442 570664572 /nfs/dbraw/zinc/66/45/72/570664572.db2.gz HSJFXOXQMDHTDY-SWPIWTSBSA-N 1 1 368.502 4.981 50 30 FJEAMO C[NH+]=C(Nc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 ZINC000049772141 570966113 /nfs/dbraw/zinc/96/61/13/570966113.db2.gz SGZRELKVVVZWQP-UHFFFAOYSA-N 1 1 357.173 4.766 50 30 FJEAMO CCCN(CC)c1ccc(/C=[NH+]\NC(=S)Nc2cccc(C)c2C)cc1 ZINC000033096945 571155179 /nfs/dbraw/zinc/15/51/79/571155179.db2.gz RAAWCFPJCLWFOQ-JCMHNJIXSA-N 1 1 368.550 4.860 50 30 FJEAMO COc1ccc([NH+]=C(C)/C=C2/SC[C@@](C)(O)N2c2ccccc2)cc1 ZINC000334157263 571212135 /nfs/dbraw/zinc/21/21/35/571212135.db2.gz FUARADYNYXZGBL-USYQQAEYSA-N 1 1 354.475 4.591 50 30 FJEAMO C#CCCOc1cc(-c2ccc(C)s2)cc2c1OCC[N@H+](C(C)C)C2 ZINC000012571921 220008072 /nfs/dbraw/zinc/00/80/72/220008072.db2.gz OCAJLBCWHLCQDU-UHFFFAOYSA-N 1 1 355.503 4.728 50 30 FJEAMO O=C(C[NH+]1CCCCCC1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000049802138 221028056 /nfs/dbraw/zinc/02/80/56/221028056.db2.gz DBBIGLWJQGYPTB-UHFFFAOYSA-N 1 1 351.422 4.552 50 30 FJEAMO CCOC(=O)c1ccc2c(c1)N(CC)/C(=C\C=[NH+]c1ccccc1)N2CC ZINC000254733890 521531562 /nfs/dbraw/zinc/53/15/62/521531562.db2.gz LNCXUZHUVRPLPZ-WLSKBJGFSA-N 1 1 363.461 4.773 50 30 FJEAMO O=C(ON=C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000001039882 570474499 /nfs/dbraw/zinc/47/44/99/570474499.db2.gz AZJQZTPXXRHFNF-OYRHEFFESA-N 1 1 366.436 4.556 50 30 FJEAMO C/C(=N\N1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000019924464 570906229 /nfs/dbraw/zinc/90/62/29/570906229.db2.gz TXTAVNIRPWKYEG-YYADALCUSA-N 1 1 369.512 4.895 50 30 FJEAMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)C(F)(F)c1ccccc1 ZINC000040141745 571084504 /nfs/dbraw/zinc/08/45/04/571084504.db2.gz BLWQJAWIPNDVRT-UHFFFAOYSA-N 1 1 365.449 4.899 50 30 FJEAMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000025949259 571089143 /nfs/dbraw/zinc/08/91/43/571089143.db2.gz ORZNDDKGJNLALY-XMMPIXPASA-N 1 1 354.453 4.799 50 30 FJEAMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000025949781 571089986 /nfs/dbraw/zinc/08/99/86/571089986.db2.gz JIQXHTCQUOFPGP-XMMPIXPASA-N 1 1 372.443 4.938 50 30 FJEAMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000025949781 571089988 /nfs/dbraw/zinc/08/99/88/571089988.db2.gz JIQXHTCQUOFPGP-XMMPIXPASA-N 1 1 372.443 4.938 50 30 FJEAMO CCCN(CC)c1ccc(/C=[NH+]\NC(=S)Nc2ccc(C)cc2)cc1 ZINC000033096948 571155433 /nfs/dbraw/zinc/15/54/33/571155433.db2.gz ZMCJBEMRCURRJO-QNGOZBTKSA-N 1 1 354.523 4.552 50 30 FJEAMO CCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1-n1cc[nH+]c1C ZINC000004115352 571355395 /nfs/dbraw/zinc/35/53/95/571355395.db2.gz WNAGVDWEPYBHJR-UHFFFAOYSA-N 1 1 357.461 4.894 50 30 FJEAMO COc1ccc(NC(=[NH+]c2cccc(C)c2C)n2sc(C)cc2=N)cc1 ZINC000020417674 523465001 /nfs/dbraw/zinc/46/50/01/523465001.db2.gz NYXZDTBJMVIWMC-UHFFFAOYSA-N 1 1 366.490 4.611 50 30 FJEAMO CCOc1ccc([NH+]=C(C)/C=C2/SC[C@@](C)(O)N2c2ccccc2)cc1 ZINC000584904441 570664628 /nfs/dbraw/zinc/66/46/28/570664628.db2.gz HSJFXOXQMDHTDY-SKWSFSKUSA-N 1 1 368.502 4.981 50 30 FJEAMO C[N@H+](CC(=O)NC1(C#N)CCCCCC1)Cc1ccc(C(F)(F)F)cc1 ZINC000022842833 570950959 /nfs/dbraw/zinc/95/09/59/570950959.db2.gz RYUPSZLJFXLZCP-UHFFFAOYSA-N 1 1 367.415 4.710 50 30 FJEAMO C[N@@H+](CC(=O)NC1(C#N)CCCCCC1)Cc1ccc(C(F)(F)F)cc1 ZINC000022842833 570950962 /nfs/dbraw/zinc/95/09/62/570950962.db2.gz RYUPSZLJFXLZCP-UHFFFAOYSA-N 1 1 367.415 4.710 50 30 FJEAMO C[NH+](C)[C@H](CNc1oc(-c2cccs2)nc1C#N)c1ccccc1Cl ZINC000027991000 571337400 /nfs/dbraw/zinc/33/74/00/571337400.db2.gz HXIDNMWZSZGQRP-OAHLLOKOSA-N 1 1 372.881 4.643 50 30 FJEAMO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1Cl)C(=O)Nc1sccc1C#N ZINC000057815969 571345482 /nfs/dbraw/zinc/34/54/82/571345482.db2.gz YWJBVJCTTCMDTH-UWVGGRQHSA-N 1 1 368.289 4.604 50 30 FJEAMO CC(C)[C@](O)(CC#CC[N@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2)c1ccccc1 ZINC000002101269 209393368 /nfs/dbraw/zinc/39/33/68/209393368.db2.gz MNBYKMIRWHPDPD-GMKZXUHWSA-N 1 1 353.550 4.824 50 30 FJEAMO CCOc1ccc([NH+]=C(C)/C=C2\SC[C@@](C)(O)N2c2ccccc2)cc1 ZINC000584904440 570664660 /nfs/dbraw/zinc/66/46/60/570664660.db2.gz HSJFXOXQMDHTDY-NNHHSVALSA-N 1 1 368.502 4.981 50 30 FJEAMO CCCN(CC)c1ccc(/C=[NH+]\NC(=S)Nc2ccccc2CC)cc1 ZINC000033096951 571155462 /nfs/dbraw/zinc/15/54/62/571155462.db2.gz WDHAAQMBLZUTHE-JWGURIENSA-N 1 1 368.550 4.806 50 30 FJEAMO COc1ccc2cc(C[N@@H+]3CCC[C@H](C#N)C3)c(-c3cccc(C)c3)nc2c1 ZINC000072422680 571193667 /nfs/dbraw/zinc/19/36/67/571193667.db2.gz DBJFLZHHLUAUNP-GOSISDBHSA-N 1 1 371.484 4.954 50 30 FJEAMO COc1ccc2cc(C[N@H+]3CCC[C@H](C#N)C3)c(-c3cccc(C)c3)nc2c1 ZINC000072422680 571193668 /nfs/dbraw/zinc/19/36/68/571193668.db2.gz DBJFLZHHLUAUNP-GOSISDBHSA-N 1 1 371.484 4.954 50 30 FJEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000019834190 571277623 /nfs/dbraw/zinc/27/76/23/571277623.db2.gz OJJQFQWIMMDKOB-LGUFXXKBSA-N 1 1 369.512 4.814 50 30 FJEAMO CCCCCCCCOCn1c2ccccc2n(CC[NH+](CC)CC)c1=N ZINC000033353168 208088804 /nfs/dbraw/zinc/08/88/04/208088804.db2.gz BLDBXWFHQLUNLG-UHFFFAOYSA-N 1 1 374.573 4.599 50 30 FJEAMO C/C(=N\N1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccc2ccccc2c1 ZINC000019833650 220302040 /nfs/dbraw/zinc/30/20/40/220302040.db2.gz DMMLDILUVGUVPG-LKUDQCMESA-N 1 1 357.501 4.690 50 30 FJEAMO C[N@H+]1CCc2nc(SCc3ccc(Cl)c(Cl)c3)c(C#N)cc2C1 ZINC000019852714 220302241 /nfs/dbraw/zinc/30/22/41/220302241.db2.gz XHEJRAPJLPOFJF-UHFFFAOYSA-N 1 1 364.301 4.540 50 30 FJEAMO CCc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000082049831 524061902 /nfs/dbraw/zinc/06/19/02/524061902.db2.gz KIECFHAOYDWBII-UHFFFAOYSA-N 1 1 350.384 4.988 50 30 FJEAMO CCc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000082049831 524061903 /nfs/dbraw/zinc/06/19/03/524061903.db2.gz KIECFHAOYDWBII-UHFFFAOYSA-N 1 1 350.384 4.988 50 30 FJEAMO C=CCOc1ccc(CNc2ccc([NH+]3CCCCC3)cc2)cc1OC ZINC000005042111 571102755 /nfs/dbraw/zinc/10/27/55/571102755.db2.gz IPRVYCASRQEMGW-UHFFFAOYSA-N 1 1 352.478 4.862 50 30 FJEAMO C=CCC1(CC=C)CCCC[N@H+]1Cc1nc(COc2ccccc2)no1 ZINC000011998170 571117324 /nfs/dbraw/zinc/11/73/24/571117324.db2.gz SMTMHYAXNOCDME-UHFFFAOYSA-N 1 1 353.466 4.526 50 30 FJEAMO C[N@H+](CN1c2ccccc2C(=Nc2ccc(F)cc2)C1=O)C1CCCCC1 ZINC000252604654 571189781 /nfs/dbraw/zinc/18/97/81/571189781.db2.gz GCGCKDJXFKIPQK-UHFFFAOYSA-N 1 1 365.452 4.515 50 30 FJEAMO C[N@@H+](CN1c2ccccc2C(=Nc2ccc(F)cc2)C1=O)C1CCCCC1 ZINC000252604654 571189784 /nfs/dbraw/zinc/18/97/84/571189784.db2.gz GCGCKDJXFKIPQK-UHFFFAOYSA-N 1 1 365.452 4.515 50 30 FJEAMO COc1ccc([NH+]=C(C)/C=C2\SC[C@](C)(O)N2c2ccccc2)cc1 ZINC000334157262 571212216 /nfs/dbraw/zinc/21/22/16/571212216.db2.gz FUARADYNYXZGBL-STRXUQHOSA-N 1 1 354.475 4.591 50 30 FJEAMO O=C(C[NH2+]Cc1ccc(Cl)cc1Br)Nc1cccc(F)c1 ZINC000328595005 571323686 /nfs/dbraw/zinc/32/36/86/571323686.db2.gz IITVZHYQCZCUAN-UHFFFAOYSA-N 1 1 371.637 4.619 50 30 FJEAMO O=C(C[NH+]1CCCCCC1)Nc1nc2ccc(Br)cc2s1 ZINC000019891657 571327776 /nfs/dbraw/zinc/32/77/76/571327776.db2.gz SBVZQAJLSANKSK-UHFFFAOYSA-N 1 1 368.300 4.523 50 30 FJEAMO Cc1[nH+]ccn1-c1c(CCC(C)C)c(C)c(C#N)c2nc3ccccc3n21 ZINC000000638082 219307489 /nfs/dbraw/zinc/30/74/89/219307489.db2.gz BBKRJPRBKOGDRW-UHFFFAOYSA-N 1 1 357.461 4.750 50 30 FJEAMO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000029487394 519077777 /nfs/dbraw/zinc/07/77/77/519077777.db2.gz ZAYIECMNEXXRPQ-IBGZPJMESA-N 1 1 352.503 4.523 50 30 FJEAMO Cc1cc(=N)n(C(Nc2ccc(Cl)cc2)=[NH+]CCc2ccccc2)s1 ZINC000020343981 526099389 /nfs/dbraw/zinc/09/93/89/526099389.db2.gz SPGZGVZLXKRRSB-UHFFFAOYSA-N 1 1 370.909 4.550 50 30 FJEAMO [NH2+]=C(Cc1csc2ccc(Cl)cc12)NOC(=O)Nc1ccccc1 ZINC000004365558 570587605 /nfs/dbraw/zinc/58/76/05/570587605.db2.gz XYZNSRMWBKTOKS-UHFFFAOYSA-N 1 1 359.838 4.618 50 30 FJEAMO Cc1ccc(C[NH+]2CCN(N=Cc3ccc(C(C)(C)C)cc3)CC2)c(C)c1 ZINC000245238213 571095366 /nfs/dbraw/zinc/09/53/66/571095366.db2.gz GJLZQZRXLCBBEK-UHFFFAOYSA-N 1 1 363.549 4.753 50 30 FJEAMO Cc1ccc([NH+]=C(NN=Cc2nc3ccccc3[nH]2)c2ccccc2)cc1 ZINC000006908778 571254163 /nfs/dbraw/zinc/25/41/63/571254163.db2.gz CUFUZAIOZTZJIM-HZHRSRAPSA-N 1 1 353.429 4.764 50 30 FJEAMO C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](OC(=O)CCC)c1ccnc2ccccc21 ZINC000058506264 571309043 /nfs/dbraw/zinc/30/90/43/571309043.db2.gz OHNDQUSNRRCMEC-QBTZDCLLSA-N 1 1 364.489 4.516 50 30 FJEAMO C[N@H+](Cc1ccc(-c2ccccc2C#N)o1)Cc1cc(-c2cccnc2)no1 ZINC000077302585 571321014 /nfs/dbraw/zinc/32/10/14/571321014.db2.gz ULPULGJOIPAYFO-UHFFFAOYSA-N 1 1 370.412 4.500 50 30 FJEAMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)o1)Cc1cc(-c2cccnc2)no1 ZINC000077302585 571321015 /nfs/dbraw/zinc/32/10/15/571321015.db2.gz ULPULGJOIPAYFO-UHFFFAOYSA-N 1 1 370.412 4.500 50 30 FJEAMO C[NH+](C)[C@@H](CNc1oc(-c2ccccc2)nc1C#N)c1ccccc1Cl ZINC000027990974 571337387 /nfs/dbraw/zinc/33/73/87/571337387.db2.gz IVEYBMMAJWQXGM-SFHVURJKSA-N 1 1 366.852 4.581 50 30 FJEAMO CCCN(C)c1ccc(/C=[NH+]/NC(=S)Nc2cccc(SC)c2)cc1 ZINC000003051071 571344309 /nfs/dbraw/zinc/34/43/09/571344309.db2.gz JETBAFWKKJJUES-XSFVSMFZSA-N 1 1 372.563 4.575 50 30 FJEAMO CCCN(C)c1ccc(/C=[NH+]/NC(=S)Nc2c(C)cc(C)cc2C)cc1 ZINC000003051116 571344316 /nfs/dbraw/zinc/34/43/16/571344316.db2.gz JFKWKGSMQKDJMS-HYARGMPZSA-N 1 1 368.550 4.779 50 30 FJEAMO C=CC[C@@H]1CC=C[C@@H](C)[N@@H+]1Cc1nc(-c2ccc(F)c(OC)c2)oc1C ZINC000012590515 220010999 /nfs/dbraw/zinc/01/09/99/220010999.db2.gz OSEVEXKDRVPXGU-RHSMWYFYSA-N 1 1 356.441 4.893 50 30 FJEAMO Fc1ccccc1/C=N/N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019848780 220302429 /nfs/dbraw/zinc/30/24/29/220302429.db2.gz VPNLYLUYXLCDOF-LGUFXXKBSA-N 1 1 373.475 4.567 50 30 FJEAMO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1Cl)C(=O)Nc1sccc1C#N ZINC000057815978 221094051 /nfs/dbraw/zinc/09/40/51/221094051.db2.gz YWJBVJCTTCMDTH-NXEZZACHSA-N 1 1 368.289 4.604 50 30 FJEAMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1 ZINC000226757109 526251156 /nfs/dbraw/zinc/25/11/56/526251156.db2.gz ANRYFFWMRUYETD-QWVAQTLSSA-N 1 1 360.457 4.820 50 30 FJEAMO N#CC1(c2ccccc2)CC[NH+](Cc2ccc([C@H]3CCCCO3)o2)CC1 ZINC000215309287 568063124 /nfs/dbraw/zinc/06/31/24/568063124.db2.gz NLJAUZXELURARD-HXUWFJFHSA-N 1 1 350.462 4.579 50 30 FJEAMO C=CCC1(CC=C)CCCC[N@@H+]1Cc1nc(Cc2cccc(F)c2)no1 ZINC000011839740 571116894 /nfs/dbraw/zinc/11/68/94/571116894.db2.gz LQUGNBPGZXIEMB-UHFFFAOYSA-N 1 1 355.457 4.676 50 30 FJEAMO CCCCN(C)c1ccc(/C=[NH+]\NC(=S)Nc2c(C)cccc2C)cc1 ZINC000033096913 571155163 /nfs/dbraw/zinc/15/51/63/571155163.db2.gz ZUTQHBNLYMFHIE-JCMHNJIXSA-N 1 1 368.550 4.860 50 30 FJEAMO CCCN(CC)c1ccc(/C=[NH+]\NC(=S)Nc2ccc(CC)cc2)cc1 ZINC000033096929 571155296 /nfs/dbraw/zinc/15/52/96/571155296.db2.gz OUWQODZCUXPMBP-JWGURIENSA-N 1 1 368.550 4.806 50 30 FJEAMO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2nc(-c3c[nH]c4ccccc43)cs2)C1 ZINC000012568410 571184520 /nfs/dbraw/zinc/18/45/20/571184520.db2.gz SMTGSHJWNMDDKA-OKILXGFUSA-N 1 1 368.506 4.857 50 30 FJEAMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Nc2nc(-c3c[nH]c4ccccc43)cs2)C1 ZINC000012568410 571184524 /nfs/dbraw/zinc/18/45/24/571184524.db2.gz SMTGSHJWNMDDKA-OKILXGFUSA-N 1 1 368.506 4.857 50 30 FJEAMO C[NH+](C)C=CC(=CC(=O)C(F)(F)F)Nc1ccccc1-c1ccccc1 ZINC000004053427 571209975 /nfs/dbraw/zinc/20/99/75/571209975.db2.gz GNLHDWIQRLYGEU-LIACPWMRSA-N 1 1 360.379 4.856 50 30 FJEAMO C[N@@H+](CCOc1ccccc1F)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000012978601 571322934 /nfs/dbraw/zinc/32/29/34/571322934.db2.gz YEMHXTWACUVHCW-UHFFFAOYSA-N 1 1 360.432 4.875 50 30 FJEAMO C/C(=N/N1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000020123719 220314635 /nfs/dbraw/zinc/31/46/35/220314635.db2.gz TXTAVNIRPWKYEG-QLYXXIJNSA-N 1 1 369.512 4.895 50 30 FJEAMO C#CC[N@H+](Cc1nc(-c2ccc(F)c(OC)c2)oc1C)C1CCCCC1 ZINC000020513971 518262341 /nfs/dbraw/zinc/26/23/41/518262341.db2.gz OZXWUZSJCVKOLK-UHFFFAOYSA-N 1 1 356.441 4.566 50 30 FJEAMO O=C(ON=C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccs1)c1ccc(F)cc1 ZINC000063598823 526433181 /nfs/dbraw/zinc/43/31/81/526433181.db2.gz UQYCAFFUZPEUAV-HDICACEKSA-N 1 1 372.465 4.617 50 30 FJEAMO N#CC1(c2ccccc2)CC[NH+](Cc2ccc([C@@H]3CCCCO3)o2)CC1 ZINC000215309247 568063106 /nfs/dbraw/zinc/06/31/06/568063106.db2.gz NLJAUZXELURARD-FQEVSTJZSA-N 1 1 350.462 4.579 50 30 FJEAMO C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2nc(-c3c[nH]c4ccccc43)cs2)C1 ZINC000049655138 570965019 /nfs/dbraw/zinc/96/50/19/570965019.db2.gz SMTGSHJWNMDDKA-KBPBESRZSA-N 1 1 368.506 4.857 50 30 FJEAMO CCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000015669135 571101302 /nfs/dbraw/zinc/10/13/02/571101302.db2.gz PGAQMLRCBADWGQ-UHFFFAOYSA-N 1 1 373.460 4.636 50 30 FJEAMO CCCN(CC)c1ccc(/C=[NH+]\NC(=S)Nc2c(C)cccc2C)cc1 ZINC000033096947 571155147 /nfs/dbraw/zinc/15/51/47/571155147.db2.gz LHUWUPMAZLUAQR-JCMHNJIXSA-N 1 1 368.550 4.860 50 30 FJEAMO CCCCN(C)c1ccc(/C=[NH+]\NC(=S)Nc2cc(C)ccc2C)cc1 ZINC000033096914 571155245 /nfs/dbraw/zinc/15/52/45/571155245.db2.gz SDPKGIVFRRGBEN-JCMHNJIXSA-N 1 1 368.550 4.860 50 30 FJEAMO COc1ccc2cc(C[N@@H+]3CCC[C@@H](C#N)C3)c(-c3cccc(C)c3)nc2c1 ZINC000072422681 571193619 /nfs/dbraw/zinc/19/36/19/571193619.db2.gz DBJFLZHHLUAUNP-SFHVURJKSA-N 1 1 371.484 4.954 50 30 FJEAMO COc1ccc2cc(C[N@H+]3CCC[C@@H](C#N)C3)c(-c3cccc(C)c3)nc2c1 ZINC000072422681 571193621 /nfs/dbraw/zinc/19/36/21/571193621.db2.gz DBJFLZHHLUAUNP-SFHVURJKSA-N 1 1 371.484 4.954 50 30 FJEAMO C[N@H+]1CCc2nc(SCc3ccccc3)c(C#N)c(-c3ccccc3)c2C1 ZINC000019889335 571327705 /nfs/dbraw/zinc/32/77/05/571327705.db2.gz BVNZLEVITXOIKI-UHFFFAOYSA-N 1 1 371.509 4.900 50 30 FJEAMO C=CCNC(=O)c1ccc(C[N@H+](CCC(C)C)Cc2ccc(C)s2)o1 ZINC000096280613 571335033 /nfs/dbraw/zinc/33/50/33/571335033.db2.gz UDBNNTSEDUYXGB-UHFFFAOYSA-N 1 1 360.523 4.614 50 30 FJEAMO [NH2+]=C(Cc1cccc2ccccc21)NOC(=O)Nc1ccc(Cl)cc1 ZINC000004392985 207019104 /nfs/dbraw/zinc/01/91/04/207019104.db2.gz CTLVDWUPHLNSCJ-UHFFFAOYSA-N 1 1 353.809 4.557 50 30 FJEAMO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000029487392 519078264 /nfs/dbraw/zinc/07/82/64/519078264.db2.gz ZAYIECMNEXXRPQ-LJQANCHMSA-N 1 1 352.503 4.523 50 30 FJEAMO COc1ccc(CC[N@@H+](C)CCC[C@@H](C#N)c2ccccc2C)cc1OC ZINC000006208034 523938480 /nfs/dbraw/zinc/93/84/80/523938480.db2.gz RUVKGJRDWNRUPP-FQEVSTJZSA-N 1 1 366.505 4.574 50 30 FJEAMO Cc1ccc(C(=O)ONC(=[NH2+])Cc2ccc(Cl)cc2Cl)cc1Cl ZINC000004916095 526236613 /nfs/dbraw/zinc/23/66/13/526236613.db2.gz QSXUZQAUBCYDNO-UHFFFAOYSA-N 1 1 371.651 4.627 50 30 FJEAMO CCCN(CC)c1ccc(/C=[NH+]\NC(=S)Nc2ccc(C)cc2C)cc1 ZINC000033096949 568450962 /nfs/dbraw/zinc/45/09/62/568450962.db2.gz TUETZQCFVUATRF-JCMHNJIXSA-N 1 1 368.550 4.860 50 30 FJEAMO N#Cc1c(/N=C/c2ccccc2O)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000023411631 570963132 /nfs/dbraw/zinc/96/31/32/570963132.db2.gz DFIRXOULKBKKLR-ZMOGYAJESA-N 1 1 373.481 4.634 50 30 FJEAMO N#Cc1c(/N=C/c2ccccc2O)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000023411631 570963135 /nfs/dbraw/zinc/96/31/35/570963135.db2.gz DFIRXOULKBKKLR-ZMOGYAJESA-N 1 1 373.481 4.634 50 30 FJEAMO C[N@H+]1[C@@H](c2ccccc2)C[C@](O)(C#Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000248130505 571075007 /nfs/dbraw/zinc/07/50/07/571075007.db2.gz NASUIEJNHAJFHJ-OOSCYNTBSA-N 1 1 367.492 4.977 50 30 FJEAMO CCCN(CC)c1ccc(/C=[NH+]\NC(=S)Nc2cccc(C)c2)cc1 ZINC000033096956 571155424 /nfs/dbraw/zinc/15/54/24/571155424.db2.gz JSQKHGJAUYMMFU-QNGOZBTKSA-N 1 1 354.523 4.552 50 30 FJEAMO C=CCC[C@@H](O)C[N@@H+](Cc1cccn1Cc1ccccc1C)CC(C)C ZINC000004711075 571167779 /nfs/dbraw/zinc/16/77/79/571167779.db2.gz LTQNMEBNNOGKRL-HSZRJFAPSA-N 1 1 354.538 4.630 50 30 FJEAMO O[C@](C#CC[N@H+]1CC[C@@H](c2ccccc2)C1)(c1ccccc1)C1CCCCC1 ZINC000004806656 571237306 /nfs/dbraw/zinc/23/73/06/571237306.db2.gz ZKEKBMWWMAZJKJ-ZEQKJWHPSA-N 1 1 373.540 4.947 50 30 FJEAMO